smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(NCC[C@H](C)NC(=O)c2ccccc2[O-])c(C#N)cn1 ZINC001106228353 782545172 /nfs/dbraw/zinc/54/51/72/782545172.db2.gz MODOWXFRQBTYIF-LBPRGKRZSA-N -1 3 324.384 2.010 20 30 DEEDHM CCN(CCNc1ccc(C#N)cn1)C(=O)c1ccccc1[O-] ZINC001106694941 782857273 /nfs/dbraw/zinc/85/72/73/782857273.db2.gz JTIKVYHQYYUOQN-UHFFFAOYSA-N -1 3 310.357 2.233 20 30 DEEDHM C=CCO[C@@H]1CCN(Cc2nnc(-c3ccccc3[O-])o2)C1 ZINC001333401401 1150045853 /nfs/dbraw/zinc/04/58/53/1150045853.db2.gz NIKOBZWURRZIPN-GFCCVEGCSA-N -1 3 301.346 2.219 20 30 DEEDHM COC(=O)c1nc2ccc(NCc3ccccc3C#N)nc2[n-]1 ZINC001167632684 777410072 /nfs/dbraw/zinc/41/00/72/777410072.db2.gz ACYMWTVERMOJIV-UHFFFAOYSA-N -1 3 307.313 2.228 20 30 DEEDHM COC(=O)c1nc2nc(NCc3ccccc3C#N)ccc2[n-]1 ZINC001167632684 777410074 /nfs/dbraw/zinc/41/00/74/777410074.db2.gz ACYMWTVERMOJIV-UHFFFAOYSA-N -1 3 307.313 2.228 20 30 DEEDHM COC(=O)c1nc2ccc(NCc3ccccc3C#N)[n-]c-2n1 ZINC001167632684 777410079 /nfs/dbraw/zinc/41/00/79/777410079.db2.gz ACYMWTVERMOJIV-UHFFFAOYSA-N -1 3 307.313 2.228 20 30 DEEDHM C#CCN(C(=O)c1c[n-]c2ccccc2c1=O)c1nccs1 ZINC001126809339 780927226 /nfs/dbraw/zinc/92/72/26/780927226.db2.gz AYEHITRJMFDWJZ-UHFFFAOYSA-N -1 3 309.350 2.265 20 30 DEEDHM N#C[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1cccc(C(F)(F)F)c1 ZINC001144438116 790913492 /nfs/dbraw/zinc/91/34/92/790913492.db2.gz UAMKBNNPSPBKHU-LLVKDONJSA-N -1 3 322.246 2.196 20 30 DEEDHM CC(=O)Nc1ccc(CC(=O)Nc2ccc([O-])c(C#N)c2)cc1 ZINC001144888921 791103797 /nfs/dbraw/zinc/10/37/97/791103797.db2.gz GGNRZBNJGWHDIZ-UHFFFAOYSA-N -1 3 309.325 2.403 20 30 DEEDHM C#CCN1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001086574650 786390015 /nfs/dbraw/zinc/39/00/15/786390015.db2.gz BDHUZHNOLCPMHU-ZWKOTPCHSA-N -1 3 320.392 2.223 20 30 DEEDHM C[C@@H]1[C@@H](Nc2ccc(C#N)cn2)CCN1C(=O)c1ccccc1[O-] ZINC001068760168 788740464 /nfs/dbraw/zinc/74/04/64/788740464.db2.gz OHAHZDUCAYINIF-DOMZBBRYSA-N -1 3 322.368 2.374 20 30 DEEDHM C[C@H]1C[C@@H](Nc2ncccc2C#N)CN1C(=O)c1ccccc1[O-] ZINC001069016924 788836880 /nfs/dbraw/zinc/83/68/80/788836880.db2.gz IXYMSKRHWDRNEO-GXTWGEPZSA-N -1 3 322.368 2.374 20 30 DEEDHM C=C[C@H]1C[C@]1(Nc1ccc(C)c(-c2nnn[n-]2)c1)C(=O)OCC ZINC001170929333 789669388 /nfs/dbraw/zinc/66/93/88/789669388.db2.gz VTZDSRUTRVLCQO-MEDUHNTESA-N -1 3 313.361 2.095 20 30 DEEDHM C=C[C@H]1C[C@]1(Nc1ccc(C)c(-c2nn[n-]n2)c1)C(=O)OCC ZINC001170929333 789669390 /nfs/dbraw/zinc/66/93/90/789669390.db2.gz VTZDSRUTRVLCQO-MEDUHNTESA-N -1 3 313.361 2.095 20 30 DEEDHM Cc1cc(Br)c(S(=O)(=O)[N-]CCC#N)s1 ZINC000487342038 790208545 /nfs/dbraw/zinc/20/85/45/790208545.db2.gz FMGJZTINBILXNF-UHFFFAOYSA-N -1 3 309.210 2.011 20 30 DEEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc2c3c(c1)CCCN3CCC2 ZINC001171366011 791876951 /nfs/dbraw/zinc/87/69/51/791876951.db2.gz QBBRJESZICKMFJ-NHYWBVRUSA-N -1 3 301.390 2.033 20 30 DEEDHM N#Cc1ccc(N(CCNC(=O)c2ccccc2[O-])C2CC2)nc1 ZINC001101283563 793100642 /nfs/dbraw/zinc/10/06/42/793100642.db2.gz NABPEXLFUTXQEE-UHFFFAOYSA-N -1 3 322.368 2.058 20 30 DEEDHM C=C(Cl)CN1C[C@@H](C)[C@H](CCNC(=O)c2ncccc2[O-])C1 ZINC001102900409 793813397 /nfs/dbraw/zinc/81/33/97/793813397.db2.gz RDEYXNWIEBPLHH-DGCLKSJQSA-N -1 3 323.824 2.228 20 30 DEEDHM C=CCN1CCC[C@H]1C[N-]C(=O)C(F)(F)C(F)(F)Cl ZINC001179781554 795170001 /nfs/dbraw/zinc/17/00/01/795170001.db2.gz GXGVZIPLXFZYJM-QMMMGPOBSA-N -1 3 302.699 2.220 20 30 DEEDHM N#Cc1cc(NC(=O)[C@H]2CCN2Cc2ccccc2)ccc1[O-] ZINC001183753810 795932903 /nfs/dbraw/zinc/93/29/03/795932903.db2.gz VQDFQMPWVYRBDC-MRXNPFEDSA-N -1 3 307.353 2.477 20 30 DEEDHM O=C(CCn1ccccc1=O)N([O-])Cc1ccccc1Cl ZINC001184283814 796035637 /nfs/dbraw/zinc/03/56/37/796035637.db2.gz RMONPQZLUQLOOT-UHFFFAOYSA-N -1 3 306.749 2.310 20 30 DEEDHM CC(=O)c1c(C)c(C)[nH]c1C(=O)N([O-])C(=N)c1ccccc1N ZINC001184750851 796121115 /nfs/dbraw/zinc/12/11/15/796121115.db2.gz CPDUAXVUPCQDGO-UHFFFAOYSA-N -1 3 314.345 2.273 20 30 DEEDHM CC(=O)O[C@H](Cc1ccccc1)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001186335003 796396244 /nfs/dbraw/zinc/39/62/44/796396244.db2.gz CXISLVZFBJYQHL-QGZVFWFLSA-N -1 3 324.336 2.377 20 30 DEEDHM N#CCN(Cc1ccccc1)C(=O)c1ccccc1-c1nnn[n-]1 ZINC001186999619 796475780 /nfs/dbraw/zinc/47/57/80/796475780.db2.gz POAFWHWPXFMXKX-UHFFFAOYSA-N -1 3 318.340 2.033 20 30 DEEDHM N#CCN(Cc1ccccc1)C(=O)c1ccccc1-c1nn[n-]n1 ZINC001186999619 796475781 /nfs/dbraw/zinc/47/57/81/796475781.db2.gz POAFWHWPXFMXKX-UHFFFAOYSA-N -1 3 318.340 2.033 20 30 DEEDHM N=C(c1ccccc1N)N([O-])C(=O)c1cc(C(F)(F)F)c[nH]1 ZINC001187702971 796565822 /nfs/dbraw/zinc/56/58/22/796565822.db2.gz UUEHZJGCUIYCTO-UHFFFAOYSA-N -1 3 312.251 2.473 20 30 DEEDHM CCOC(=O)c1cccc(NC(=O)[N-]c2oncc2C#N)c1 ZINC001188639782 796702130 /nfs/dbraw/zinc/70/21/30/796702130.db2.gz ZMNSWNJWNTVYKH-UHFFFAOYSA-N -1 3 300.274 2.367 20 30 DEEDHM CC(C)[C@](C)(C#N)[N-]S(=O)(=O)Cc1cccc(F)c1F ZINC001189470818 796829201 /nfs/dbraw/zinc/82/92/01/796829201.db2.gz AMJDGPLYZAJUET-ZDUSSCGKSA-N -1 3 302.346 2.322 20 30 DEEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](F)C2)c1 ZINC001190657536 797051309 /nfs/dbraw/zinc/05/13/09/797051309.db2.gz CLIGDELKSSTIEO-GHMZBOCLSA-N -1 3 300.330 2.114 20 30 DEEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CCCCCCS)c1 ZINC001190676928 797056312 /nfs/dbraw/zinc/05/63/12/797056312.db2.gz LIRBQFGQGGNZOD-UHFFFAOYSA-N -1 3 316.423 2.466 20 30 DEEDHM COc1cc(C#N)ccc1C(=O)N([O-])C(=N)c1ccccc1N ZINC001192263414 797349856 /nfs/dbraw/zinc/34/98/56/797349856.db2.gz BISWUBWAGHGEID-UHFFFAOYSA-N -1 3 310.313 2.006 20 30 DEEDHM N#Cc1cc(NC(=O)c2cc3cccnc3[nH]c2=O)ccc1[O-] ZINC001153745698 797385873 /nfs/dbraw/zinc/38/58/73/797385873.db2.gz DYSSWAHBAMKOOX-UHFFFAOYSA-N -1 3 306.281 2.165 20 30 DEEDHM COc1ccc2c(c1)[n-]c(C(=O)N1CCCC[C@H]1C#N)cc2=O ZINC001154114254 797466725 /nfs/dbraw/zinc/46/67/25/797466725.db2.gz ALHKWGAKVZVINL-NSHDSACASA-N -1 3 311.341 2.055 20 30 DEEDHM CC(C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1)c(=O)[n-][nH]c2=O ZINC001154320482 797511962 /nfs/dbraw/zinc/51/19/62/797511962.db2.gz MFXALFRDETWIIA-MRXNPFEDSA-N -1 3 314.345 2.099 20 30 DEEDHM CC(C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1)c(=O)[nH][n-]c2=O ZINC001154320482 797511965 /nfs/dbraw/zinc/51/19/65/797511965.db2.gz MFXALFRDETWIIA-MRXNPFEDSA-N -1 3 314.345 2.099 20 30 DEEDHM C[C@@H](NC(=O)c1cc(=O)c2cc(C#N)ccc2[n-]1)c1ccncc1 ZINC001154552116 797561516 /nfs/dbraw/zinc/56/15/16/797561516.db2.gz IUSLNWNSOYWSSA-LLVKDONJSA-N -1 3 318.336 2.286 20 30 DEEDHM Cc1ccc(C(=NC(=O)c2cc([O-])cc3[nH]ccc32)NO)nc1 ZINC001155966965 797892979 /nfs/dbraw/zinc/89/29/79/797892979.db2.gz XYWKBGOAYMYSFN-UHFFFAOYSA-N -1 3 310.313 2.143 20 30 DEEDHM N=C(NC(F)(F)c1cc(Cl)nc(=S)[n-]1)c1nccs1 ZINC001157495549 798217417 /nfs/dbraw/zinc/21/74/17/798217417.db2.gz RVYYHPDSBMRPIA-UHFFFAOYSA-N -1 3 321.765 2.330 20 30 DEEDHM N#CC1(c2ccc(NCc3ncccc3[O-])nc2)CCOCC1 ZINC001158774716 798467829 /nfs/dbraw/zinc/46/78/29/798467829.db2.gz UWAAEHJXNYYBDH-UHFFFAOYSA-N -1 3 310.357 2.366 20 30 DEEDHM N#Cc1cc(NC(=O)c2cc(OC3CCC3)ncn2)ccc1[O-] ZINC001199472485 798487701 /nfs/dbraw/zinc/48/77/01/798487701.db2.gz GZWWSTAUDVLQNX-UHFFFAOYSA-N -1 3 310.313 2.237 20 30 DEEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1cc(Cl)nnc1-c1ccccc1 ZINC001160174940 798657599 /nfs/dbraw/zinc/65/75/99/798657599.db2.gz RMMVLWPYSZSWTR-ZANVPECISA-N -1 3 318.764 2.445 20 30 DEEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cccc(F)c1Br ZINC001201789801 798802005 /nfs/dbraw/zinc/80/20/05/798802005.db2.gz HCPYBCZQUUJSEM-ZETCQYMHSA-N -1 3 321.171 2.169 20 30 DEEDHM C#C[C@H](Oc1[n-]c(=O)nc2ccc(OC)cc21)c1ccncc1 ZINC001230861999 801515397 /nfs/dbraw/zinc/51/53/97/801515397.db2.gz IMIHVRCEUDYFFX-HNNXBMFYSA-N -1 3 307.309 2.492 20 30 DEEDHM Cc1cc(C#N)cc(C)c1[N-]S(=O)(=O)c1ccc(O)c(N)c1 ZINC001215646625 801889551 /nfs/dbraw/zinc/88/95/51/801889551.db2.gz AQZMYUVAHYHUBQ-UHFFFAOYSA-N -1 3 317.370 2.264 20 30 DEEDHM N#Cc1ccc([O-])c(CN2CCC[C@@H](C(F)(F)F)[C@H]2CO)c1 ZINC001232674056 801938371 /nfs/dbraw/zinc/93/83/71/801938371.db2.gz RDLVJVKZJDKLFC-CHWSQXEVSA-N -1 3 314.307 2.399 20 30 DEEDHM Cc1ccc(N2CCN(Cc3cc(C#N)ccc3[O-])CC2)nc1 ZINC001232679255 801939809 /nfs/dbraw/zinc/93/98/09/801939809.db2.gz HRYAXCVZBOCAHJ-UHFFFAOYSA-N -1 3 308.385 2.290 20 30 DEEDHM CC(C)(C)OC(=O)N1C[C@@H](Oc2cc([O-])cc(C#N)c2)CC1=O ZINC001234143927 802309671 /nfs/dbraw/zinc/30/96/71/802309671.db2.gz HIOYUEKMMUKSCD-ZDUSSCGKSA-N -1 3 318.329 2.179 20 30 DEEDHM N#C[C@H](Oc1[n-]c(=O)nc2ccc(C(N)=O)cc21)c1ccccc1 ZINC001234517444 802400459 /nfs/dbraw/zinc/40/04/59/802400459.db2.gz FEGXTLDCZIUWLB-AWEZNQCLSA-N -1 3 320.308 2.078 20 30 DEEDHM COC(=O)[C@H](O/C(=N\[O-])c1ccccn1)c1cccc(F)c1 ZINC001223976620 802826702 /nfs/dbraw/zinc/82/67/02/802826702.db2.gz WDGKZRPLRRMTOJ-JGTOSJCVSA-N -1 3 304.277 2.287 20 30 DEEDHM COC(=O)C[C@@H]1CCC[C@@H](Oc2[n-]c(C)cc(=O)c2C#N)C1 ZINC001225469904 802971216 /nfs/dbraw/zinc/97/12/16/802971216.db2.gz PPNLUEPBVMIMKQ-VXGBXAGGSA-N -1 3 304.346 2.468 20 30 DEEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666368 802999929 /nfs/dbraw/zinc/99/99/29/802999929.db2.gz HJWPIAMMPONHMF-SECBINFHSA-N -1 3 310.306 2.361 20 30 DEEDHM C#C[C@@H](Oc1c([O-])cc(Br)cc1F)C(=O)OCC ZINC001227587389 803255020 /nfs/dbraw/zinc/25/50/20/803255020.db2.gz HOJJDSUJYHDDSH-SNVBAGLBSA-N -1 3 317.110 2.238 20 30 DEEDHM CC#CC[C@@H](NCc1cscc1Br)C(=O)[O-] ZINC001334068823 1150185019 /nfs/dbraw/zinc/18/50/19/1150185019.db2.gz AEEBCMLDYNOLEP-SNVBAGLBSA-N -1 3 302.193 2.467 20 30 DEEDHM C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC001335920475 1150560924 /nfs/dbraw/zinc/56/09/24/1150560924.db2.gz DJVCXDLAAGLPEL-NEPJUHHUSA-N -1 3 305.378 2.223 20 30 DEEDHM C#C[C@H](NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573280973 946670057 /nfs/dbraw/zinc/67/00/57/946670057.db2.gz UXFYVLKJRULPJR-HNNXBMFYSA-N -1 3 321.315 2.110 20 30 DEEDHM C#C[C@H](NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573280973 946670061 /nfs/dbraw/zinc/67/00/61/946670061.db2.gz UXFYVLKJRULPJR-HNNXBMFYSA-N -1 3 321.315 2.110 20 30 DEEDHM C[C@H](NC(=O)c1csc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001570922903 948648803 /nfs/dbraw/zinc/64/88/03/948648803.db2.gz OILVKLFTDBVIMB-VIFPVBQESA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@H](NC(=O)c1csc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001570922903 948648809 /nfs/dbraw/zinc/64/88/09/948648809.db2.gz OILVKLFTDBVIMB-VIFPVBQESA-N -1 3 324.369 2.291 20 30 DEEDHM C#CCN1CCC(C(=O)Nc2ccc(CC)cc2C(=O)[O-])CC1 ZINC001588471282 983505652 /nfs/dbraw/zinc/50/56/52/983505652.db2.gz HVIZMYPOHJWILX-UHFFFAOYSA-N -1 3 314.385 2.231 20 30 DEEDHM C=C(Cl)C[C@@H](N)C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)[O-] ZINC001588637100 983758534 /nfs/dbraw/zinc/75/85/34/983758534.db2.gz GUWIECBJQCEZOJ-CHWSQXEVSA-N -1 3 324.808 2.425 20 30 DEEDHM C=CC[C@H]1CCN(CC(=O)N(C)c2ccccc2C(=O)[O-])C1 ZINC001588772300 984142512 /nfs/dbraw/zinc/14/25/12/984142512.db2.gz CMGUVPATAYHFSI-ZDUSSCGKSA-N -1 3 302.374 2.246 20 30 DEEDHM C=CCCC[C@H](N)C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC001588786517 984183976 /nfs/dbraw/zinc/18/39/76/984183976.db2.gz PIFDKVCMUGWCSG-QEJZJMRPSA-N -1 3 304.390 2.248 20 30 DEEDHM C=CCCC[C@H](N)C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC001588787861 984188691 /nfs/dbraw/zinc/18/86/91/984188691.db2.gz ZLBHCYLDXULADK-NSHDSACASA-N -1 3 322.361 2.024 20 30 DEEDHM CN(C(=O)CN1CCCC[C@H]1CC(=O)[O-])C1(C#N)CCCCC1 ZINC001598024465 990231286 /nfs/dbraw/zinc/23/12/86/990231286.db2.gz YBVJZQRMUFQFDD-AWEZNQCLSA-N -1 3 321.421 2.000 20 30 DEEDHM CO[C@@H]1[C@@H](C)[C@@H](NCc2cccc(C(=O)[O-])c2C#N)C1(C)C ZINC001599098551 997330505 /nfs/dbraw/zinc/33/05/05/997330505.db2.gz ZZLMEOSRIBHFJK-COLVAYQJSA-N -1 3 302.374 2.406 20 30 DEEDHM COc1cc(CNCc2cc(C(=O)[O-])c(C)n2C)ccc1C#N ZINC001599415232 997495186 /nfs/dbraw/zinc/49/51/86/997495186.db2.gz JFUXCXXZTIHRIQ-UHFFFAOYSA-N -1 3 313.357 2.202 20 30 DEEDHM C#CC[C@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)ccc2C)C1 ZINC001602699913 1069730662 /nfs/dbraw/zinc/73/06/62/1069730662.db2.gz NGEWHVDUAZRVKQ-ZDUSSCGKSA-N -1 3 309.373 2.051 20 30 DEEDHM C#CC[C@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)ccc2C)C1 ZINC001602699913 1069730668 /nfs/dbraw/zinc/73/06/68/1069730668.db2.gz NGEWHVDUAZRVKQ-ZDUSSCGKSA-N -1 3 309.373 2.051 20 30 DEEDHM C=C(C)C(C)(C)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC001602752497 1069743860 /nfs/dbraw/zinc/74/38/60/1069743860.db2.gz CRLOMKCIDHBTIY-UHFFFAOYSA-N -1 3 316.361 2.391 20 30 DEEDHM C=C(C)C(C)(C)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC001602752497 1069743876 /nfs/dbraw/zinc/74/38/76/1069743876.db2.gz CRLOMKCIDHBTIY-UHFFFAOYSA-N -1 3 316.361 2.391 20 30 DEEDHM C=C1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2OC)CC1 ZINC001602776893 1069751972 /nfs/dbraw/zinc/75/19/72/1069751972.db2.gz KTYZVYGELHSPGZ-UHFFFAOYSA-N -1 3 314.349 2.059 20 30 DEEDHM C=C1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2OC)CC1 ZINC001602776893 1069751991 /nfs/dbraw/zinc/75/19/91/1069751991.db2.gz KTYZVYGELHSPGZ-UHFFFAOYSA-N -1 3 314.349 2.059 20 30 DEEDHM C=C(C)CONC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602763148 1069749379 /nfs/dbraw/zinc/74/93/79/1069749379.db2.gz DAHWKFMDYKVRJI-NSHDSACASA-N -1 3 316.365 2.077 20 30 DEEDHM C=C(C)CONC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602763148 1069749388 /nfs/dbraw/zinc/74/93/88/1069749388.db2.gz DAHWKFMDYKVRJI-NSHDSACASA-N -1 3 316.365 2.077 20 30 DEEDHM C=CCC[C@H](OC(=O)c1cc(-c2nnn[n-]2)[nH]c1C)C1CC1 ZINC001602833936 1069770152 /nfs/dbraw/zinc/77/01/52/1069770152.db2.gz XXZKZMPUCWJLKL-ZDUSSCGKSA-N -1 3 301.350 2.405 20 30 DEEDHM C=CCC[C@H](OC(=O)c1cc(-c2nn[n-]n2)[nH]c1C)C1CC1 ZINC001602833936 1069770156 /nfs/dbraw/zinc/77/01/56/1069770156.db2.gz XXZKZMPUCWJLKL-ZDUSSCGKSA-N -1 3 301.350 2.405 20 30 DEEDHM C=CCCCN(CC)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001602839730 1069774408 /nfs/dbraw/zinc/77/44/08/1069774408.db2.gz GCNYRSXOBYMKMK-UHFFFAOYSA-N -1 3 320.784 2.343 20 30 DEEDHM C=CCN(C(=O)C(F)(F)c1ccccc1-c1nnn[n-]1)C(C)C ZINC001602847029 1069775985 /nfs/dbraw/zinc/77/59/85/1069775985.db2.gz FZWCRXLKVOXATE-UHFFFAOYSA-N -1 3 321.331 2.382 20 30 DEEDHM C=CCN(C(=O)C(F)(F)c1ccccc1-c1nn[n-]n1)C(C)C 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C=CCC1(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CCC1 ZINC001609053684 1077750102 /nfs/dbraw/zinc/75/01/02/1077750102.db2.gz OSZGOAYNBHEQBC-UHFFFAOYSA-N -1 3 315.352 2.368 20 30 DEEDHM C=CCC1(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC001609053684 1077750105 /nfs/dbraw/zinc/75/01/05/1077750105.db2.gz OSZGOAYNBHEQBC-UHFFFAOYSA-N -1 3 315.352 2.368 20 30 DEEDHM C=C[C@H](C)NC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609052610 1077750127 /nfs/dbraw/zinc/75/01/27/1077750127.db2.gz JSCFSVJRAHKKLF-WDEREUQCSA-N -1 3 300.366 2.144 20 30 DEEDHM C=C[C@H](C)NC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609052610 1077750129 /nfs/dbraw/zinc/75/01/29/1077750129.db2.gz JSCFSVJRAHKKLF-WDEREUQCSA-N -1 3 300.366 2.144 20 30 DEEDHM C=CC[C@H](C)NC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001609052540 1077750195 /nfs/dbraw/zinc/75/01/95/1077750195.db2.gz GPXCGERGAQIMOG-HZMBPMFUSA-N -1 3 312.377 2.118 20 30 DEEDHM C=CC[C@H](C)NC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001609052540 1077750198 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DEEDHM C=C(C)C[C@H](C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588404037 1076446667 /nfs/dbraw/zinc/44/66/67/1076446667.db2.gz CRUVGRHRCLMJQV-JTQLQIEISA-N -1 3 303.341 2.224 20 30 DEEDHM C=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001588444080 1076448593 /nfs/dbraw/zinc/44/85/93/1076448593.db2.gz JRJVEZDDMVQPKI-UHFFFAOYSA-N -1 3 323.331 2.449 20 30 DEEDHM C=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001588444080 1076448596 /nfs/dbraw/zinc/44/85/96/1076448596.db2.gz JRJVEZDDMVQPKI-UHFFFAOYSA-N -1 3 323.331 2.449 20 30 DEEDHM C=C[C@](C)(CC)C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588493880 1076450145 /nfs/dbraw/zinc/45/01/45/1076450145.db2.gz LVAGOQQNWGVMBY-RHSMWYFYSA-N -1 3 311.389 2.052 20 30 DEEDHM C=C[C@](C)(CC)C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588493880 1076450147 /nfs/dbraw/zinc/45/01/47/1076450147.db2.gz LVAGOQQNWGVMBY-RHSMWYFYSA-N -1 3 311.389 2.052 20 30 DEEDHM C=CC(C)(C)CNC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588489229 1076450888 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C=CCC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CCC1 ZINC001588556348 1076453558 /nfs/dbraw/zinc/45/35/58/1076453558.db2.gz JSDIUVTZTURASW-UHFFFAOYSA-N -1 3 308.345 2.423 20 30 DEEDHM C=CCC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CCC1 ZINC001588556348 1076453562 /nfs/dbraw/zinc/45/35/62/1076453562.db2.gz JSDIUVTZTURASW-UHFFFAOYSA-N -1 3 308.345 2.423 20 30 DEEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001588560969 1076454878 /nfs/dbraw/zinc/45/48/78/1076454878.db2.gz WQZYQHBUSNHOAT-LLVKDONJSA-N -1 3 315.352 2.434 20 30 DEEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001588560969 1076454880 /nfs/dbraw/zinc/45/48/80/1076454880.db2.gz WQZYQHBUSNHOAT-LLVKDONJSA-N -1 3 315.352 2.434 20 30 DEEDHM C=CCCCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001588600601 1076457396 /nfs/dbraw/zinc/45/73/96/1076457396.db2.gz IGUTZIGNEOUIJE-UHFFFAOYSA-N -1 3 303.391 2.041 20 30 DEEDHM C=CCCCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001588600601 1076457397 /nfs/dbraw/zinc/45/73/97/1076457397.db2.gz IGUTZIGNEOUIJE-UHFFFAOYSA-N -1 3 303.391 2.041 20 30 DEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC001588725496 1076461337 /nfs/dbraw/zinc/46/13/37/1076461337.db2.gz FQAAMMXTJCARIA-ZJUUUORDSA-N -1 3 319.390 2.075 20 30 DEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC001588725496 1076461344 /nfs/dbraw/zinc/46/13/44/1076461344.db2.gz FQAAMMXTJCARIA-ZJUUUORDSA-N -1 3 319.390 2.075 20 30 DEEDHM Cc1nc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)co1 ZINC001588777294 1076465330 /nfs/dbraw/zinc/46/53/30/1076465330.db2.gz LXMWEWIVONVRTG-UHFFFAOYSA-N -1 3 318.728 2.048 20 30 DEEDHM Cc1nc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)co1 ZINC001588777294 1076465332 /nfs/dbraw/zinc/46/53/32/1076465332.db2.gz LXMWEWIVONVRTG-UHFFFAOYSA-N -1 3 318.728 2.048 20 30 DEEDHM CC(C)(C)C#CC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001589068268 1076473009 /nfs/dbraw/zinc/47/30/09/1076473009.db2.gz OKYXWEMJLVFSEM-CQSZACIVSA-N -1 3 309.373 2.020 20 30 DEEDHM CC(C)(C)C#CC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001589068268 1076473012 /nfs/dbraw/zinc/47/30/12/1076473012.db2.gz OKYXWEMJLVFSEM-CQSZACIVSA-N -1 3 309.373 2.020 20 30 DEEDHM CC(C)(C)C#CC(=O)OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589071846 1076473831 /nfs/dbraw/zinc/47/38/31/1076473831.db2.gz UNRNLPGYTQGYOS-UHFFFAOYSA-N -1 3 302.309 2.099 20 30 DEEDHM CC(C)(C)C#CC(=O)OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589071846 1076473835 /nfs/dbraw/zinc/47/38/35/1076473835.db2.gz UNRNLPGYTQGYOS-UHFFFAOYSA-N -1 3 302.309 2.099 20 30 DEEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001589536751 1076497015 /nfs/dbraw/zinc/49/70/15/1076497015.db2.gz FZAOIHZUZMISII-LLVKDONJSA-N -1 3 323.360 2.016 20 30 DEEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001589536751 1076497017 /nfs/dbraw/zinc/49/70/17/1076497017.db2.gz FZAOIHZUZMISII-LLVKDONJSA-N -1 3 323.360 2.016 20 30 DEEDHM C[C@H](NN=C1CCCc2cc(-c3nnn[n-]3)cnc21)C(C)(C)C ZINC001589976848 1076541226 /nfs/dbraw/zinc/54/12/26/1076541226.db2.gz OUKHPCVFPNKGNH-JTQLQIEISA-N -1 3 313.409 2.326 20 30 DEEDHM C[C@H](NN=C1CCCc2cc(-c3nn[n-]n3)cnc21)C(C)(C)C ZINC001589976848 1076541229 /nfs/dbraw/zinc/54/12/29/1076541229.db2.gz OUKHPCVFPNKGNH-JTQLQIEISA-N -1 3 313.409 2.326 20 30 DEEDHM C[C@@H](OC(=O)c1ccnc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001590014776 1076547364 /nfs/dbraw/zinc/54/73/64/1076547364.db2.gz SJUZWRJTUIVZBC-SNVBAGLBSA-N -1 3 320.312 2.051 20 30 DEEDHM C[C@@H](OC(=O)c1ccnc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590014776 1076547365 /nfs/dbraw/zinc/54/73/65/1076547365.db2.gz SJUZWRJTUIVZBC-SNVBAGLBSA-N -1 3 320.312 2.051 20 30 DEEDHM CCN(C(=O)[C@H](C)CC#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590667317 1076665896 /nfs/dbraw/zinc/66/58/96/1076665896.db2.gz YQRFNXOOZBZVTK-NEPJUHHUSA-N -1 3 312.377 2.326 20 30 DEEDHM CCN(C(=O)[C@H](C)CC#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590667317 1076665897 /nfs/dbraw/zinc/66/58/97/1076665897.db2.gz YQRFNXOOZBZVTK-NEPJUHHUSA-N -1 3 312.377 2.326 20 30 DEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1F)[C@H]1CCC[C@@H]1C#N ZINC001591137053 1076711859 /nfs/dbraw/zinc/71/18/59/1076711859.db2.gz PMPGMCUOFGMLEW-RISCZKNCSA-N -1 3 300.341 2.130 20 30 DEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1F)[C@H]1CCC[C@@H]1C#N ZINC001591137053 1076711861 /nfs/dbraw/zinc/71/18/61/1076711861.db2.gz PMPGMCUOFGMLEW-RISCZKNCSA-N -1 3 300.341 2.130 20 30 DEEDHM CN(Cc1csc(-c2nnn[n-]2)c1)Cc1cc(C#N)cs1 ZINC001591151236 1076714955 /nfs/dbraw/zinc/71/49/55/1076714955.db2.gz ISQFNHHSFNYBCU-UHFFFAOYSA-N -1 3 316.415 2.493 20 30 DEEDHM CN(Cc1csc(-c2nn[n-]n2)c1)Cc1cc(C#N)cs1 ZINC001591151236 1076714959 /nfs/dbraw/zinc/71/49/59/1076714959.db2.gz ISQFNHHSFNYBCU-UHFFFAOYSA-N -1 3 316.415 2.493 20 30 DEEDHM COc1cc(C=CC(=O)c2cncc(C)c2)ccc1-c1nnn[n-]1 ZINC001591523536 1076753880 /nfs/dbraw/zinc/75/38/80/1076753880.db2.gz WQZXAQFTRBXPQO-XQRVVYSFSA-N -1 3 321.340 2.475 20 30 DEEDHM COc1cc(C=CC(=O)c2cncc(C)c2)ccc1-c1nn[n-]n1 ZINC001591523536 1076753887 /nfs/dbraw/zinc/75/38/87/1076753887.db2.gz WQZXAQFTRBXPQO-XQRVVYSFSA-N -1 3 321.340 2.475 20 30 DEEDHM COc1cc(CN(CCC#N)CC2CC2)ccc1-c1nnn[n-]1 ZINC001591525664 1076754089 /nfs/dbraw/zinc/75/40/89/1076754089.db2.gz HVIIYZFUSVPAPG-UHFFFAOYSA-N -1 3 312.377 2.001 20 30 DEEDHM COc1cc(CN(CCC#N)CC2CC2)ccc1-c1nn[n-]n1 ZINC001591525664 1076754091 /nfs/dbraw/zinc/75/40/91/1076754091.db2.gz HVIIYZFUSVPAPG-UHFFFAOYSA-N -1 3 312.377 2.001 20 30 DEEDHM COc1cc(CNc2cccc(-c3nnn[n-]3)c2)ccc1C#N ZINC001591536110 1076755131 /nfs/dbraw/zinc/75/51/31/1076755131.db2.gz SIYHPCNHKFPTSG-UHFFFAOYSA-N -1 3 306.329 2.359 20 30 DEEDHM COc1cc(CNc2cccc(-c3nn[n-]n3)c2)ccc1C#N ZINC001591536110 1076755135 /nfs/dbraw/zinc/75/51/35/1076755135.db2.gz SIYHPCNHKFPTSG-UHFFFAOYSA-N -1 3 306.329 2.359 20 30 DEEDHM COc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC001591582330 1076761467 /nfs/dbraw/zinc/76/14/67/1076761467.db2.gz KOIRJOMAYCNRIZ-UHFFFAOYSA-N -1 3 324.344 2.330 20 30 DEEDHM COc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC001591582330 1076761470 /nfs/dbraw/zinc/76/14/70/1076761470.db2.gz KOIRJOMAYCNRIZ-UHFFFAOYSA-N -1 3 324.344 2.330 20 30 DEEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)NC1(C#N)CC1 ZINC001591805674 1076787143 /nfs/dbraw/zinc/78/71/43/1076787143.db2.gz HFLYSBJNIHZYCR-UHFFFAOYSA-N -1 3 324.369 2.176 20 30 DEEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)NC1(C#N)CC1 ZINC001591805674 1076787144 /nfs/dbraw/zinc/78/71/44/1076787144.db2.gz HFLYSBJNIHZYCR-UHFFFAOYSA-N -1 3 324.369 2.176 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@](C)(C#N)C(C)(C)C ZINC001591861212 1076797498 /nfs/dbraw/zinc/79/74/98/1076797498.db2.gz AYTWBKUIENAJLR-MRXNPFEDSA-N -1 3 312.377 2.233 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@](C)(C#N)C(C)(C)C ZINC001591861212 1076797501 /nfs/dbraw/zinc/79/75/01/1076797501.db2.gz AYTWBKUIENAJLR-MRXNPFEDSA-N -1 3 312.377 2.233 20 30 DEEDHM Cc1oc(C#N)cc1C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001592029326 1076832850 /nfs/dbraw/zinc/83/28/50/1076832850.db2.gz JPHBFDFQLOGZJS-UHFFFAOYSA-N -1 3 308.301 2.201 20 30 DEEDHM Cc1oc(C#N)cc1C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001592029326 1076832855 /nfs/dbraw/zinc/83/28/55/1076832855.db2.gz JPHBFDFQLOGZJS-UHFFFAOYSA-N -1 3 308.301 2.201 20 30 DEEDHM Cc1ccc(C#N)c(NCc2ccc(C)c(-c3nnn[n-]3)c2)n1 ZINC001592113197 1076850424 /nfs/dbraw/zinc/85/04/24/1076850424.db2.gz IJKRFTPFOOBHKB-UHFFFAOYSA-N -1 3 305.345 2.362 20 30 DEEDHM Cc1ccc(C#N)c(NCc2ccc(C)c(-c3nn[n-]n3)c2)n1 ZINC001592113197 1076850429 /nfs/dbraw/zinc/85/04/29/1076850429.db2.gz IJKRFTPFOOBHKB-UHFFFAOYSA-N -1 3 305.345 2.362 20 30 DEEDHM Cc1ccnc([C@@H](C)Nc2c(C#N)cccc2-c2nnn[n-]2)n1 ZINC001592271383 1076887512 /nfs/dbraw/zinc/88/75/12/1076887512.db2.gz AWOUSDUAUTZJRL-SNVBAGLBSA-N -1 3 306.333 2.010 20 30 DEEDHM Cc1ccnc([C@@H](C)Nc2c(C#N)cccc2-c2nn[n-]n2)n1 ZINC001592271383 1076887518 /nfs/dbraw/zinc/88/75/18/1076887518.db2.gz AWOUSDUAUTZJRL-SNVBAGLBSA-N -1 3 306.333 2.010 20 30 DEEDHM Cc1csc(NC(=O)NCC2(CC#N)CC2)c1-c1nnn[n-]1 ZINC001592319726 1076896246 /nfs/dbraw/zinc/89/62/46/1076896246.db2.gz OJRYFVKEISIFPI-UHFFFAOYSA-N -1 3 317.378 2.052 20 30 DEEDHM Cc1csc(NC(=O)NCC2(CC#N)CC2)c1-c1nn[n-]n1 ZINC001592319726 1076896250 /nfs/dbraw/zinc/89/62/50/1076896250.db2.gz OJRYFVKEISIFPI-UHFFFAOYSA-N -1 3 317.378 2.052 20 30 DEEDHM Cc1nc(NCc2cccc(OCC#N)c2)ccc1-c1nnn[n-]1 ZINC001592395622 1076909838 /nfs/dbraw/zinc/90/98/38/1076909838.db2.gz LKHGJXHXYWWZKO-UHFFFAOYSA-N -1 3 321.344 2.085 20 30 DEEDHM Cc1nc(NCc2cccc(OCC#N)c2)ccc1-c1nn[n-]n1 ZINC001592395622 1076909840 /nfs/dbraw/zinc/90/98/40/1076909840.db2.gz LKHGJXHXYWWZKO-UHFFFAOYSA-N -1 3 321.344 2.085 20 30 DEEDHM Cc1nsc(N[C@@H]2Cc3ccc(C#N)cc3C2)c1-c1nnn[n-]1 ZINC001592486494 1076918923 /nfs/dbraw/zinc/91/89/23/1076918923.db2.gz NYLMNLBPZAFLET-GFCCVEGCSA-N -1 3 323.385 2.083 20 30 DEEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC[C@H]2CCSC2)n1 ZINC001592524463 1076923668 /nfs/dbraw/zinc/92/36/68/1076923668.db2.gz JJPIXPYINSXABI-SSDOTTSWSA-N -1 3 309.786 2.066 20 30 DEEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC[C@H]2CCSC2)n1 ZINC001592524463 1076923671 /nfs/dbraw/zinc/92/36/71/1076923671.db2.gz JJPIXPYINSXABI-SSDOTTSWSA-N -1 3 309.786 2.066 20 30 DEEDHM N#Cc1cc(NC(=O)[C@H]2CCC(F)(F)C2)ccc1-c1nnn[n-]1 ZINC001592689267 1076953542 /nfs/dbraw/zinc/95/35/42/1076953542.db2.gz PMBPTGKKJIZNFR-QMMMGPOBSA-N -1 3 318.287 2.112 20 30 DEEDHM N#Cc1cc(NC(=O)[C@H]2CCC(F)(F)C2)ccc1-c1nn[n-]n1 ZINC001592689267 1076953548 /nfs/dbraw/zinc/95/35/48/1076953548.db2.gz PMBPTGKKJIZNFR-QMMMGPOBSA-N -1 3 318.287 2.112 20 30 DEEDHM N#Cc1ccc2c(c1)N(c1c(C#N)cccc1-c1nnn[n-]1)CC2 ZINC001592698040 1076954311 /nfs/dbraw/zinc/95/43/11/1076954311.db2.gz GHHITHXRHUFUHZ-UHFFFAOYSA-N -1 3 313.324 2.304 20 30 DEEDHM N#Cc1ccc2c(c1)N(c1c(C#N)cccc1-c1nn[n-]n1)CC2 ZINC001592698040 1076954314 /nfs/dbraw/zinc/95/43/14/1076954314.db2.gz GHHITHXRHUFUHZ-UHFFFAOYSA-N -1 3 313.324 2.304 20 30 DEEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)c(Cl)c2)nc1 ZINC001592696657 1076954774 /nfs/dbraw/zinc/95/47/74/1076954774.db2.gz AKIZSIZMXNGGHI-UHFFFAOYSA-N -1 3 311.736 2.399 20 30 DEEDHM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)c(Cl)c2)nc1 ZINC001592696657 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C#CC[C@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccccc1 ZINC001588334138 1076441367 /nfs/dbraw/zinc/44/13/67/1076441367.db2.gz PEDCSOVCLSPYKW-LBPRGKRZSA-N -1 3 310.386 2.177 20 30 DEEDHM C#CC[C@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccccc1 ZINC001588334138 1076441368 /nfs/dbraw/zinc/44/13/68/1076441368.db2.gz PEDCSOVCLSPYKW-LBPRGKRZSA-N -1 3 310.386 2.177 20 30 DEEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cccc2c1OCCO2 ZINC001588381880 1076445089 /nfs/dbraw/zinc/44/50/89/1076445089.db2.gz VRYDLPJTVSWISI-UHFFFAOYSA-N -1 3 322.328 2.084 20 30 DEEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cccc2c1OCCO2 ZINC001588381880 1076445094 /nfs/dbraw/zinc/44/50/94/1076445094.db2.gz VRYDLPJTVSWISI-UHFFFAOYSA-N -1 3 322.328 2.084 20 30 DEEDHM C=C(C)C[C@@H](C)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588405795 1076446671 /nfs/dbraw/zinc/44/66/71/1076446671.db2.gz PTUIWCOEIPEQCZ-GFCCVEGCSA-N -1 3 316.361 2.391 20 30 DEEDHM C=C(C)CCNC(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588425308 1076447675 /nfs/dbraw/zinc/44/76/75/1076447675.db2.gz 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C=CC[C@H](CO)Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588545560 1076453439 /nfs/dbraw/zinc/45/34/39/1076453439.db2.gz IVBZXKOPOILOTN-SECBINFHSA-N -1 3 313.283 2.234 20 30 DEEDHM C=CC[C@H]1CCCN(C(=O)c2cscc2-c2nnn[n-]2)C1 ZINC001588559097 1076454328 /nfs/dbraw/zinc/45/43/28/1076454328.db2.gz HGABOMVSXVVPQL-JTQLQIEISA-N -1 3 303.391 2.357 20 30 DEEDHM C=CC[C@H]1CCCN(C(=O)c2cscc2-c2nn[n-]n2)C1 ZINC001588559097 1076454330 /nfs/dbraw/zinc/45/43/30/1076454330.db2.gz HGABOMVSXVVPQL-JTQLQIEISA-N -1 3 303.391 2.357 20 30 DEEDHM C=CC[C@@H]1CCN1C(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588565255 1076454804 /nfs/dbraw/zinc/45/48/04/1076454804.db2.gz XOFYBBTXURNBPN-CQSZACIVSA-N -1 3 311.389 2.321 20 30 DEEDHM C=CC[C@@H]1CCN1C(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588565255 1076454807 /nfs/dbraw/zinc/45/48/07/1076454807.db2.gz XOFYBBTXURNBPN-CQSZACIVSA-N -1 3 311.389 2.321 20 30 DEEDHM C=CCCCCCNC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588596148 1076455887 /nfs/dbraw/zinc/45/58/87/1076455887.db2.gz 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C[C@@H]1C[C@H]1c1ncc(C(=O)N([O-])C(=N)c2ccccc2N)cn1 ZINC001185139092 796186710 /nfs/dbraw/zinc/18/67/10/796186710.db2.gz GBXPHXMLZJHIEY-BXKDBHETSA-N -1 3 311.345 2.039 20 30 DEEDHM CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1ccc([O-])cc1C ZINC001186192125 796371150 /nfs/dbraw/zinc/37/11/50/796371150.db2.gz RBTTVPXJLIGEMY-UHFFFAOYSA-N -1 3 323.352 2.493 20 30 DEEDHM N#Cc1cc(NC(=O)c2cccc(N3CCOCC3)c2)ccc1[O-] ZINC001187398953 796530303 /nfs/dbraw/zinc/53/03/03/796530303.db2.gz DFWWFVVDALQFHO-UHFFFAOYSA-N -1 3 323.352 2.353 20 30 DEEDHM C=CCCn1cc(C(=O)Nc2cccc(C(C)=O)c2[O-])nn1 ZINC001141651495 796683110 /nfs/dbraw/zinc/68/31/10/796683110.db2.gz KENNTRMYKYEMMZ-UHFFFAOYSA-N -1 3 300.318 2.015 20 30 DEEDHM Cn1cnc([N-]C(=O)c2cc(F)c(Cl)c(C#N)c2Cl)n1 ZINC001189825699 796888795 /nfs/dbraw/zinc/88/87/95/796888795.db2.gz KRDIYINVNKCZNH-UHFFFAOYSA-N -1 3 314.107 2.385 20 30 DEEDHM C#Cc1ccc(CNC(=O)c2c([O-])cc(OC)cc2OC)cc1 ZINC001190144749 796938313 /nfs/dbraw/zinc/93/83/13/796938313.db2.gz WPRDAMQLAXDUGW-UHFFFAOYSA-N -1 3 311.337 2.321 20 30 DEEDHM CC(C)(C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC001190328715 796981425 /nfs/dbraw/zinc/98/14/25/796981425.db2.gz SYXSAXIPFAYYEE-UHFFFAOYSA-N -1 3 310.272 2.425 20 30 DEEDHM N#Cc1cc(NC(=O)c2ccccc2-n2ccnn2)ccc1[O-] ZINC001190395830 796991637 /nfs/dbraw/zinc/99/16/37/796991637.db2.gz ACAKVYRWBRNZSF-UHFFFAOYSA-N -1 3 305.297 2.097 20 30 DEEDHM C=CCC1(S(=O)(=O)[N-]c2cnn(C3CCOCC3)c2)CC1 ZINC001190772924 797073488 /nfs/dbraw/zinc/07/34/88/797073488.db2.gz NAPORCRSYMFFFF-UHFFFAOYSA-N -1 3 311.407 2.085 20 30 DEEDHM N#Cc1oc2ccccc2c1[N-]C(=O)c1n[nH]c2c1COCC2 ZINC001151998099 797130097 /nfs/dbraw/zinc/13/00/97/797130097.db2.gz HLFOMSOKGRKBMO-UHFFFAOYSA-N -1 3 308.297 2.353 20 30 DEEDHM N#Cc1cc(NC(=O)c2ccnc(-n3ccnc3)c2)ccc1[O-] ZINC001191965102 797299263 /nfs/dbraw/zinc/29/92/63/797299263.db2.gz ACRSXMBKBGUJLS-UHFFFAOYSA-N -1 3 305.297 2.097 20 30 DEEDHM CC(C)c1nccn1Cc1cccc([N-]S(=O)(=O)CC#N)c1 ZINC001192978861 797485063 /nfs/dbraw/zinc/48/50/63/797485063.db2.gz JZOGGGUJWWRPMS-UHFFFAOYSA-N -1 3 318.402 2.320 20 30 DEEDHM N#C[C@@H](NC(=O)c1ccc2c(=O)[nH][n-]c(=O)c2c1)c1ccccc1 ZINC001154309952 797509078 /nfs/dbraw/zinc/50/90/78/797509078.db2.gz BVYFXBVJAGLTAI-CQSZACIVSA-N -1 3 320.308 2.036 20 30 DEEDHM N#C[C@@H](NC(=O)c1ccc2c(=O)[n-][nH]c(=O)c2c1)c1ccccc1 ZINC001154309952 797509083 /nfs/dbraw/zinc/50/90/83/797509083.db2.gz BVYFXBVJAGLTAI-CQSZACIVSA-N -1 3 320.308 2.036 20 30 DEEDHM N#Cc1cc(NC(=O)c2cccc(-n3cncn3)c2)ccc1[O-] ZINC001193890566 797637125 /nfs/dbraw/zinc/63/71/25/797637125.db2.gz HELFQNUWDWWBQZ-UHFFFAOYSA-N -1 3 305.297 2.097 20 30 DEEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)c2ccccc2N)c1F ZINC001193928627 797643921 /nfs/dbraw/zinc/64/39/21/797643921.db2.gz HTEBGCGKMXRUSF-UHFFFAOYSA-N -1 3 309.297 2.219 20 30 DEEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCOCC23CC3)n1 ZINC001155834431 797860944 /nfs/dbraw/zinc/86/09/44/797860944.db2.gz GLHAUKKCQLYWFS-MKMNVTDBSA-N -1 3 314.798 2.029 20 30 DEEDHM C=CCC[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC001195499538 797915584 /nfs/dbraw/zinc/91/55/84/797915584.db2.gz YWUHTBSUFQIQIB-UHFFFAOYSA-N -1 3 308.172 2.443 20 30 DEEDHM CC(C)C[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196272931 798034620 /nfs/dbraw/zinc/03/46/20/798034620.db2.gz LFBLADGBARVCHF-GFCCVEGCSA-N -1 3 301.799 2.342 20 30 DEEDHM C#Cc1cc(=NC(=O)c2c(C)cc(C(F)(F)F)nc2[O-])cc[nH]1 ZINC001199780530 798537116 /nfs/dbraw/zinc/53/71/16/798537116.db2.gz QHPDPOLVPDOVTB-UHFFFAOYSA-N -1 3 321.258 2.165 20 30 DEEDHM N#Cc1c([O-])csc1NC(=S)NCCN1CCCCC1 ZINC001200418578 798624856 /nfs/dbraw/zinc/62/48/56/798624856.db2.gz FEUVIWFWTGZWOD-UHFFFAOYSA-N -1 3 310.448 2.098 20 30 DEEDHM Cc1ccc(C)c(-c2ccc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)nn2)c1 ZINC001160176156 798658438 /nfs/dbraw/zinc/65/84/38/798658438.db2.gz IGDYKGAKZCCZOX-LRDDRELGSA-N -1 3 312.373 2.408 20 30 DEEDHM CC(C)n1ccc2c1nc(Cl)nc2N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001160176393 798658802 /nfs/dbraw/zinc/65/88/02/798658802.db2.gz POMMGJQZELOPLJ-WPRPVWTQSA-N -1 3 323.784 2.314 20 30 DEEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(C(F)F)nc2ccccc21 ZINC001160176501 798658909 /nfs/dbraw/zinc/65/89/09/798658909.db2.gz VIUCFTKVBTVPIR-XVKPBYJWSA-N -1 3 308.288 2.215 20 30 DEEDHM Cc1ncc(Nc2nc3c(cc2C#N)CCCC3(C)C)c(=O)[n-]1 ZINC001162306088 799057150 /nfs/dbraw/zinc/05/71/50/799057150.db2.gz SJCOUWMXRVSYPP-ZDUSSCGKSA-N -1 3 309.373 2.377 20 30 DEEDHM N#Cc1ccc([O-])c(CN2CCCC[C@@H]2C(=O)N2CCCC2)c1 ZINC001232679193 801940372 /nfs/dbraw/zinc/94/03/72/801940372.db2.gz GRJAYTSZAZPTFL-MRXNPFEDSA-N -1 3 313.401 2.241 20 30 DEEDHM N#Cc1cc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)CN2)ccc1[O-] ZINC001218954455 802263534 /nfs/dbraw/zinc/26/35/34/802263534.db2.gz MCIDPJMKPWJGJD-KOLCDFICSA-N -1 3 313.279 2.133 20 30 DEEDHM CCC1=C(Oc2[n-]c(=O)nc3nc(Cl)ccc32)C(=O)[C@H](C)O1 ZINC001226557192 803123782 /nfs/dbraw/zinc/12/37/82/803123782.db2.gz YEDIUGQBRQXMAY-LURJTMIESA-N -1 3 321.720 2.372 20 30 DEEDHM C#CCOc1ccccc1CNc1ncc(-c2nnn[n-]2)cc1F ZINC001573290318 946903214 /nfs/dbraw/zinc/90/32/14/946903214.db2.gz WLDLSNCACFQRMW-UHFFFAOYSA-N -1 3 324.319 2.025 20 30 DEEDHM C#CCOc1ccccc1CNc1ncc(-c2nn[n-]n2)cc1F ZINC001573290318 946903225 /nfs/dbraw/zinc/90/32/25/946903225.db2.gz WLDLSNCACFQRMW-UHFFFAOYSA-N -1 3 324.319 2.025 20 30 DEEDHM C[C@H](CC#N)Nc1nccc(Oc2cccc(-c3nnn[n-]3)c2)n1 ZINC001570932394 948859015 /nfs/dbraw/zinc/85/90/15/948859015.db2.gz SZNBJQSUSFKEFO-SNVBAGLBSA-N -1 3 322.332 2.163 20 30 DEEDHM C[C@H](CC#N)Nc1nccc(Oc2cccc(-c3nn[n-]n3)c2)n1 ZINC001570932394 948859035 /nfs/dbraw/zinc/85/90/35/948859035.db2.gz SZNBJQSUSFKEFO-SNVBAGLBSA-N -1 3 322.332 2.163 20 30 DEEDHM C#C[C@H]1CCCN(c2nnc(-c3c[n-]oc3=O)n2CC(C)C)C1 ZINC001343512766 1150748546 /nfs/dbraw/zinc/74/85/46/1150748546.db2.gz OBBYYZIWQLQBIK-LBPRGKRZSA-N -1 3 315.377 2.144 20 30 DEEDHM COC[C@@]1(C(=O)[O-])CCN(CC#Cc2cccc(Cl)c2)C1 ZINC001593967825 956578083 /nfs/dbraw/zinc/57/80/83/956578083.db2.gz XQXGYRPFKOVAFK-MRXNPFEDSA-N -1 3 307.777 2.115 20 30 DEEDHM C=CCO[C@@H]1CCN(Cc2ccc(O[C@H](C)C(=O)[O-])cc2)C1 ZINC001331946838 961425682 /nfs/dbraw/zinc/42/56/82/961425682.db2.gz IXXAEKQRVBCTBY-CZUORRHYSA-N -1 3 305.374 2.315 20 30 DEEDHM N#CC(C(=O)CCCC(=O)[O-])C(=O)Nc1ccc(Cl)cc1 ZINC001605575908 973841988 /nfs/dbraw/zinc/84/19/88/973841988.db2.gz GLOCBUOJNWXNOA-LLVKDONJSA-N -1 3 308.721 2.242 20 30 DEEDHM C=C[C@H](NCc1ccc(C)cc1OC[C@H]1CCOC1)C(=O)[O-] ZINC001588700167 983909540 /nfs/dbraw/zinc/90/95/40/983909540.db2.gz FGAAOEXOPWYPFS-ZFWWWQNUSA-N -1 3 305.374 2.139 20 30 DEEDHM C=C[C@@H](NCc1ccc(C)cc1OC[C@H]1CCOC1)C(=O)[O-] ZINC001588700156 983909643 /nfs/dbraw/zinc/90/96/43/983909643.db2.gz FGAAOEXOPWYPFS-DZGCQCFKSA-N -1 3 305.374 2.139 20 30 DEEDHM CCN1[C@H](C)CN(Cc2cccc(C(=O)[O-])c2C#N)C[C@@H]1C ZINC001596450317 984151754 /nfs/dbraw/zinc/15/17/54/984151754.db2.gz YGCIVDRKMPCALY-BETUJISGSA-N -1 3 301.390 2.171 20 30 DEEDHM C#C[C@H](CCC)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602690155 1069725715 /nfs/dbraw/zinc/72/57/15/1069725715.db2.gz ZZIIMXYGJGEQQS-SNVBAGLBSA-N -1 3 303.753 2.052 20 30 DEEDHM C#C[C@H](CCC)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602690155 1069725724 /nfs/dbraw/zinc/72/57/24/1069725724.db2.gz ZZIIMXYGJGEQQS-SNVBAGLBSA-N -1 3 303.753 2.052 20 30 DEEDHM C#CC[C@H](CCOC)Nc1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001602697153 1069730962 /nfs/dbraw/zinc/73/09/62/1069730962.db2.gz KNFPMUDSIDQPBW-LLVKDONJSA-N -1 3 303.341 2.155 20 30 DEEDHM C#CC[C@H](CCOC)Nc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001602697153 1069730974 /nfs/dbraw/zinc/73/09/74/1069730974.db2.gz KNFPMUDSIDQPBW-LLVKDONJSA-N -1 3 303.341 2.155 20 30 DEEDHM C#CC[C@H]1CCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC001602703373 1069731666 /nfs/dbraw/zinc/73/16/66/1069731666.db2.gz PBAAUYTVLLGSMP-JTQLQIEISA-N -1 3 302.769 2.073 20 30 DEEDHM C#CC[C@H]1CCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC001602703373 1069731667 /nfs/dbraw/zinc/73/16/67/1069731667.db2.gz PBAAUYTVLLGSMP-JTQLQIEISA-N -1 3 302.769 2.073 20 30 DEEDHM C#CCC1(NC(=O)c2cc(-c3nnn[n-]3)cs2)CCCCC1 ZINC001602699110 1069728451 /nfs/dbraw/zinc/72/84/51/1069728451.db2.gz CPFYSHCSSFGCCZ-UHFFFAOYSA-N -1 3 315.402 2.384 20 30 DEEDHM C#CCC1(NC(=O)c2cc(-c3nn[n-]n3)cs2)CCCCC1 ZINC001602699110 1069728470 /nfs/dbraw/zinc/72/84/70/1069728470.db2.gz CPFYSHCSSFGCCZ-UHFFFAOYSA-N -1 3 315.402 2.384 20 30 DEEDHM C=CC(C)(C)CNC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001602786885 1069755128 /nfs/dbraw/zinc/75/51/28/1069755128.db2.gz OHTSMIYNMKGUJV-UHFFFAOYSA-N -1 3 312.377 2.104 20 30 DEEDHM C=CC(C)(C)CNC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001602786885 1069755138 /nfs/dbraw/zinc/75/51/38/1069755138.db2.gz OHTSMIYNMKGUJV-UHFFFAOYSA-N -1 3 312.377 2.104 20 30 DEEDHM C=C[C@](C)(CCOC)C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC001602793630 1069756416 /nfs/dbraw/zinc/75/64/16/1069756416.db2.gz DNZCBEVBHSRVST-MRXNPFEDSA-N -1 3 316.361 2.139 20 30 DEEDHM C=C[C@](C)(CCOC)C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC001602793630 1069756427 /nfs/dbraw/zinc/75/64/27/1069756427.db2.gz DNZCBEVBHSRVST-MRXNPFEDSA-N -1 3 316.361 2.139 20 30 DEEDHM C=CCC1(C(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)CCC1 ZINC001602818450 1069765804 /nfs/dbraw/zinc/76/58/04/1069765804.db2.gz SHOSVAGCSWLNGU-UHFFFAOYSA-N -1 3 313.365 2.152 20 30 DEEDHM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1-c1nnn[n-]1 ZINC001602906378 1069792439 /nfs/dbraw/zinc/79/24/39/1069792439.db2.gz MYJNDOOILVCZEV-PTEHBNRSSA-N -1 3 314.393 2.136 20 30 DEEDHM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1-c1nn[n-]n1 ZINC001602906378 1069792450 /nfs/dbraw/zinc/79/24/50/1069792450.db2.gz MYJNDOOILVCZEV-PTEHBNRSSA-N -1 3 314.393 2.136 20 30 DEEDHM CCCCCCCNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001604175722 1070262206 /nfs/dbraw/zinc/26/22/06/1070262206.db2.gz BHADMXBNFZFVBQ-UHFFFAOYSA-N -1 3 317.393 2.332 20 30 DEEDHM C=CCC(CC=C)C(=O)N[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001526400095 1070271367 /nfs/dbraw/zinc/27/13/67/1070271367.db2.gz RIXRFIGCJLVODR-CYBMUJFWSA-N -1 3 316.401 2.395 20 30 DEEDHM COc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC001605270201 1070667460 /nfs/dbraw/zinc/66/74/60/1070667460.db2.gz SIWSVMXLNZXOCA-UHFFFAOYSA-N -1 3 324.344 2.330 20 30 DEEDHM COc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC001605270201 1070667462 /nfs/dbraw/zinc/66/74/62/1070667462.db2.gz SIWSVMXLNZXOCA-UHFFFAOYSA-N -1 3 324.344 2.330 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CN(CCC#N)CCC#N ZINC001605522319 1070746772 /nfs/dbraw/zinc/74/67/72/1070746772.db2.gz ZDQXSIVTPIMUGE-UHFFFAOYSA-N -1 3 309.377 2.113 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN(CCC#N)CCC#N ZINC001605522319 1070746784 /nfs/dbraw/zinc/74/67/84/1070746784.db2.gz ZDQXSIVTPIMUGE-UHFFFAOYSA-N -1 3 309.377 2.113 20 30 DEEDHM Cc1cc(NC(=O)c2ccc(C#N)cc2)cc(-c2nnn[n-]2)c1 ZINC001605716508 1070868849 /nfs/dbraw/zinc/86/88/49/1070868849.db2.gz LGJXOLFGLYJWPU-UHFFFAOYSA-N -1 3 304.313 2.299 20 30 DEEDHM Cc1cc(NC(=O)c2ccc(C#N)cc2)cc(-c2nn[n-]n2)c1 ZINC001605716508 1070868869 /nfs/dbraw/zinc/86/88/69/1070868869.db2.gz LGJXOLFGLYJWPU-UHFFFAOYSA-N -1 3 304.313 2.299 20 30 DEEDHM Cc1ccc(C(=O)N(C)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC001605808048 1070922485 /nfs/dbraw/zinc/92/24/85/1070922485.db2.gz JFVDLLYNLJUVLL-UHFFFAOYSA-N -1 3 318.340 2.323 20 30 DEEDHM Cc1ccc(C(=O)N(C)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC001605808048 1070922495 /nfs/dbraw/zinc/92/24/95/1070922495.db2.gz JFVDLLYNLJUVLL-UHFFFAOYSA-N -1 3 318.340 2.323 20 30 DEEDHM Cc1ccc(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC001605825277 1070932876 /nfs/dbraw/zinc/93/28/76/1070932876.db2.gz QLYUXIGMNQMJCG-UHFFFAOYSA-N -1 3 319.324 2.404 20 30 DEEDHM Cc1ccc(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC001605825277 1070932891 /nfs/dbraw/zinc/93/28/91/1070932891.db2.gz QLYUXIGMNQMJCG-UHFFFAOYSA-N -1 3 319.324 2.404 20 30 DEEDHM Cc1ccc(CNC(=O)c2cc(-c3nnn[n-]3)cs2)cc1C#N ZINC001605854033 1070946880 /nfs/dbraw/zinc/94/68/80/1070946880.db2.gz DGTWHGGONPKAJX-UHFFFAOYSA-N -1 3 324.369 2.038 20 30 DEEDHM Cc1ccc(CNC(=O)c2cc(-c3nn[n-]n3)cs2)cc1C#N ZINC001605854033 1070946889 /nfs/dbraw/zinc/94/68/89/1070946889.db2.gz DGTWHGGONPKAJX-UHFFFAOYSA-N -1 3 324.369 2.038 20 30 DEEDHM C=CCn1cc(C[N-]C(=O)C(F)(F)c2ccccc2F)nn1 ZINC001529544764 1070982101 /nfs/dbraw/zinc/98/21/01/1070982101.db2.gz YOWIPBQOQLLPSY-UHFFFAOYSA-N -1 3 310.279 2.011 20 30 DEEDHM Cc1csc(NC(=O)NCC(C)(C)CC#N)c1-c1nnn[n-]1 ZINC001606004186 1071006008 /nfs/dbraw/zinc/00/60/08/1071006008.db2.gz XFBZTYWMKOOPFX-UHFFFAOYSA-N -1 3 319.394 2.298 20 30 DEEDHM Cc1csc(NC(=O)NCC(C)(C)CC#N)c1-c1nn[n-]n1 ZINC001606004186 1071006026 /nfs/dbraw/zinc/00/60/26/1071006026.db2.gz XFBZTYWMKOOPFX-UHFFFAOYSA-N -1 3 319.394 2.298 20 30 DEEDHM N#CC[C@@H]1CC[C@H](Nc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])C1 ZINC001606351067 1071131171 /nfs/dbraw/zinc/13/11/71/1071131171.db2.gz CFEDAZKDXWKLPC-ONGXEEELSA-N -1 3 313.321 2.269 20 30 DEEDHM N#CC[C@@H]1CC[C@H](Nc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])C1 ZINC001606351067 1071131176 /nfs/dbraw/zinc/13/11/76/1071131176.db2.gz CFEDAZKDXWKLPC-ONGXEEELSA-N -1 3 313.321 2.269 20 30 DEEDHM N#CCc1cccc(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001606351924 1071131686 /nfs/dbraw/zinc/13/16/86/1071131686.db2.gz YVLAWTUAGYMHEL-UHFFFAOYSA-N -1 3 322.303 2.324 20 30 DEEDHM N#CCc1cccc(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001606351924 1071131692 /nfs/dbraw/zinc/13/16/92/1071131692.db2.gz YVLAWTUAGYMHEL-UHFFFAOYSA-N -1 3 322.303 2.324 20 30 DEEDHM N#Cc1ccc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)nn1 ZINC001606377075 1071134497 /nfs/dbraw/zinc/13/44/97/1071134497.db2.gz ATFRSALHFCYMKK-AWEZNQCLSA-N -1 3 318.344 2.018 20 30 DEEDHM N#Cc1ccc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)nn1 ZINC001606377075 1071134501 /nfs/dbraw/zinc/13/45/01/1071134501.db2.gz ATFRSALHFCYMKK-AWEZNQCLSA-N -1 3 318.344 2.018 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H](O)c1cccc(F)c1 ZINC001606379890 1071136543 /nfs/dbraw/zinc/13/65/43/1071136543.db2.gz NMAJJPHEOGIPAX-AWEZNQCLSA-N -1 3 324.319 2.023 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H](O)c1cccc(F)c1 ZINC001606379890 1071136552 /nfs/dbraw/zinc/13/65/52/1071136552.db2.gz NMAJJPHEOGIPAX-AWEZNQCLSA-N -1 3 324.319 2.023 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC001606380162 1071137648 /nfs/dbraw/zinc/13/76/48/1071137648.db2.gz QVQYYNQKJNZHBM-GOEBONIOSA-N -1 3 324.388 2.498 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H](C1CCC1)[C@@H]1CCCO1 ZINC001606380162 1071137654 /nfs/dbraw/zinc/13/76/54/1071137654.db2.gz QVQYYNQKJNZHBM-GOEBONIOSA-N -1 3 324.388 2.498 20 30 DEEDHM O=C1C(=Cc2ccc(F)nc2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001607036514 1071284545 /nfs/dbraw/zinc/28/45/45/1071284545.db2.gz JATZTSXXSVQURN-VZUCSPMQSA-N -1 3 322.303 2.008 20 30 DEEDHM O=C1C(=Cc2ccc(F)nc2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001607036514 1071284560 /nfs/dbraw/zinc/28/45/60/1071284560.db2.gz JATZTSXXSVQURN-VZUCSPMQSA-N -1 3 322.303 2.008 20 30 DEEDHM CC(=O)c1ncc(C(=O)[N-]c2nn(C(C)(C)C)cc2C#N)s1 ZINC001531924054 1071596896 /nfs/dbraw/zinc/59/68/96/1071596896.db2.gz GXAWKWAXLAAHLC-UHFFFAOYSA-N -1 3 317.374 2.421 20 30 DEEDHM C#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC001456611861 1057882681 /nfs/dbraw/zinc/88/26/81/1057882681.db2.gz ICVMFHJRIDKRRU-UHFFFAOYSA-N -1 3 324.731 2.149 20 30 DEEDHM C#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)c(Cl)c1 ZINC001456611861 1057882687 /nfs/dbraw/zinc/88/26/87/1057882687.db2.gz ICVMFHJRIDKRRU-UHFFFAOYSA-N -1 3 324.731 2.149 20 30 DEEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)NC2(C#N)CCCCC2)c1 ZINC001464719286 1059186599 /nfs/dbraw/zinc/18/65/99/1059186599.db2.gz MAIXVSWRBYEXPF-UHFFFAOYSA-N -1 3 313.357 2.473 20 30 DEEDHM N#CCOc1ccccc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001468311177 1059772359 /nfs/dbraw/zinc/77/23/59/1059772359.db2.gz QCGGPURYFPVKMX-UHFFFAOYSA-N -1 3 308.297 2.423 20 30 DEEDHM C=C[C@H](CC)CC(=O)N[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001494599921 1064345649 /nfs/dbraw/zinc/34/56/49/1064345649.db2.gz DFPPKLMULZZKRN-CHWSQXEVSA-N -1 3 304.390 2.229 20 30 DEEDHM Clc1ccccc1C#CCN1CCC(Cc2nnn[n-]2)CC1 ZINC001620548823 1078165160 /nfs/dbraw/zinc/16/51/60/1078165160.db2.gz IHNFNPLCPQMLPY-UHFFFAOYSA-N -1 3 315.808 2.159 20 30 DEEDHM Clc1ccccc1C#CCN1CCC(Cc2nn[n-]n2)CC1 ZINC001620548823 1078165163 /nfs/dbraw/zinc/16/51/63/1078165163.db2.gz IHNFNPLCPQMLPY-UHFFFAOYSA-N -1 3 315.808 2.159 20 30 DEEDHM CC(C)[C@H](C#N)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001624719765 1078228527 /nfs/dbraw/zinc/22/85/27/1078228527.db2.gz MGZXFCUWTARZPU-LBPRGKRZSA-N -1 3 303.749 2.459 20 30 DEEDHM N#Cc1ccc(CCNC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC001629242708 1078312461 /nfs/dbraw/zinc/31/24/61/1078312461.db2.gz MMPBHKHBNYUBBP-UHFFFAOYSA-N -1 3 318.336 2.180 20 30 DEEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1C#N ZINC001578922510 1067200242 /nfs/dbraw/zinc/20/02/42/1067200242.db2.gz MMOMOCYUOCLYQL-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1C#N ZINC001578922510 1067200246 /nfs/dbraw/zinc/20/02/46/1067200246.db2.gz MMOMOCYUOCLYQL-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM Cn1cc([N+](=O)[O-])c(C(=O)N([O-])CCCCc2ccccc2)n1 ZINC001639058940 1078592365 /nfs/dbraw/zinc/59/23/65/1078592365.db2.gz WXWCQCVTTLZHKS-UHFFFAOYSA-N -1 3 318.333 2.183 20 30 DEEDHM N#CCOc1ccc(CNc2cc[n-]c(=O)c2[N+](=O)[O-])cc1 ZINC001639419288 1078611242 /nfs/dbraw/zinc/61/12/42/1078611242.db2.gz UNSVJVQMIHXYOZ-UHFFFAOYSA-N -1 3 300.274 2.210 20 30 DEEDHM N#Cc1c[nH]nc1[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC001639693995 1078624415 /nfs/dbraw/zinc/62/44/15/1078624415.db2.gz BDWWEECWNPMCLL-UHFFFAOYSA-N -1 3 321.296 2.124 20 30 DEEDHM Cc1cc(=O)[n-]c(N2CCC[C@@H](Nc3nccc(C)c3C#N)C2)n1 ZINC001548521187 1072668110 /nfs/dbraw/zinc/66/81/10/1072668110.db2.gz SDRWOAQNPBEQDF-CYBMUJFWSA-N -1 3 324.388 2.147 20 30 DEEDHM Cc1nc[n-]c(=O)c1CCC(=O)OCCc1ccc(C#N)cc1 ZINC001645932274 1079052220 /nfs/dbraw/zinc/05/22/20/1079052220.db2.gz RZMNPRYAEIZFRB-UHFFFAOYSA-N -1 3 311.341 2.081 20 30 DEEDHM N#Cc1ccccc1OCC(=O)NCc1c([O-])cccc1F ZINC001558455329 1075094505 /nfs/dbraw/zinc/09/45/05/1075094505.db2.gz MRBVNEXWNDPGFJ-UHFFFAOYSA-N -1 3 300.289 2.098 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)Nc1cccc(C#N)n1 ZINC001580612424 1075960576 /nfs/dbraw/zinc/96/05/76/1075960576.db2.gz OKEKUFFTJAEIPP-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)Nc1cccc(C#N)n1 ZINC001580612424 1075960578 /nfs/dbraw/zinc/96/05/78/1075960578.db2.gz OKEKUFFTJAEIPP-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)o1 ZINC001580933522 1076021876 /nfs/dbraw/zinc/02/18/76/1076021876.db2.gz RJXPSRWPIRKZAO-UHFFFAOYSA-N -1 3 312.264 2.031 20 30 DEEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)o1 ZINC001580933522 1076021882 /nfs/dbraw/zinc/02/18/82/1076021882.db2.gz RJXPSRWPIRKZAO-UHFFFAOYSA-N -1 3 312.264 2.031 20 30 DEEDHM C=CCCC(=O)NCCN(CCC)C(=O)c1ccccc1[O-] ZINC001581357485 1076067280 /nfs/dbraw/zinc/06/72/80/1076067280.db2.gz OTJRZCCKOLOEHF-UHFFFAOYSA-N -1 3 304.390 2.327 20 30 DEEDHM N#Cc1cc(F)cc(NC(=O)c2csc(-c3nnn[n-]3)c2)c1 ZINC001581866406 1076105414 /nfs/dbraw/zinc/10/54/14/1076105414.db2.gz ASAUSAZPBNSLMW-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1cncc(CN2CCCc3c(-c4nnn[n-]4)cccc32)c1 ZINC001581877634 1076106778 /nfs/dbraw/zinc/10/67/78/1076106778.db2.gz BWQXNYGMUZQYNC-UHFFFAOYSA-N -1 3 317.356 2.086 20 30 DEEDHM N#Cc1cncc(CN2CCCc3c(-c4nn[n-]n4)cccc32)c1 ZINC001581877634 1076106780 /nfs/dbraw/zinc/10/67/80/1076106780.db2.gz BWQXNYGMUZQYNC-UHFFFAOYSA-N -1 3 317.356 2.086 20 30 DEEDHM N#Cc1ccc2c(c1)CCCN2Cc1cc(-c2nnn[n-]2)ccn1 ZINC001581874521 1076106940 /nfs/dbraw/zinc/10/69/40/1076106940.db2.gz VELZIXGBFRYLPI-UHFFFAOYSA-N -1 3 317.356 2.086 20 30 DEEDHM N#Cc1ccc2c(c1)CCCN2Cc1cc(-c2nn[n-]n2)ccn1 ZINC001581874521 1076106943 /nfs/dbraw/zinc/10/69/43/1076106943.db2.gz VELZIXGBFRYLPI-UHFFFAOYSA-N -1 3 317.356 2.086 20 30 DEEDHM N#Cc1csc(COc2cc(Cl)cc(-c3nnn[n-]3)c2)n1 ZINC001581878301 1076107329 /nfs/dbraw/zinc/10/73/29/1076107329.db2.gz FQEDRLRIDNJJII-UHFFFAOYSA-N -1 3 318.749 2.427 20 30 DEEDHM N#Cc1csc(COc2cc(Cl)cc(-c3nn[n-]n3)c2)n1 ZINC001581878301 1076107332 /nfs/dbraw/zinc/10/73/32/1076107332.db2.gz FQEDRLRIDNJJII-UHFFFAOYSA-N -1 3 318.749 2.427 20 30 DEEDHM C#C[C@](C)(CC)NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001588325600 1076440146 /nfs/dbraw/zinc/44/01/46/1076440146.db2.gz PWCBUYWVDVBBQR-CQSZACIVSA-N -1 3 320.303 2.068 20 30 DEEDHM C#C[C@](C)(CC)NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001588325600 1076440147 /nfs/dbraw/zinc/44/01/47/1076440147.db2.gz PWCBUYWVDVBBQR-CQSZACIVSA-N -1 3 320.303 2.068 20 30 DEEDHM C#C[C@H](Nc1nnc(C)c(C)c1-c1nnn[n-]1)c1ccccc1 ZINC001588328987 1076440342 /nfs/dbraw/zinc/44/03/42/1076440342.db2.gz VFGFSCGRLYSFSM-ZDUSSCGKSA-N -1 3 305.345 2.060 20 30 DEEDHM C#C[C@H](Nc1nnc(C)c(C)c1-c1nn[n-]n1)c1ccccc1 ZINC001588328987 1076440343 /nfs/dbraw/zinc/44/03/43/1076440343.db2.gz VFGFSCGRLYSFSM-ZDUSSCGKSA-N -1 3 305.345 2.060 20 30 DEEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)C(C)(C)C ZINC001588329997 1076441343 /nfs/dbraw/zinc/44/13/43/1076441343.db2.gz SIBZJISKERJVNB-GFCCVEGCSA-N -1 3 316.340 2.175 20 30 DEEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)C(C)(C)C ZINC001588329997 1076441346 /nfs/dbraw/zinc/44/13/46/1076441346.db2.gz SIBZJISKERJVNB-GFCCVEGCSA-N -1 3 316.340 2.175 20 30 DEEDHM C#Cc1cccc(N(C)C(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001588374885 1076444634 /nfs/dbraw/zinc/44/46/34/1076444634.db2.gz UYFLFOZIJCCIPW-UHFFFAOYSA-N -1 3 321.315 2.264 20 30 DEEDHM C#Cc1cccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001588374885 1076444637 /nfs/dbraw/zinc/44/46/37/1076444637.db2.gz UYFLFOZIJCCIPW-UHFFFAOYSA-N -1 3 321.315 2.264 20 30 DEEDHM C#Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2OC)c1 ZINC001588375275 1076444649 /nfs/dbraw/zinc/44/46/49/1076444649.db2.gz NEOGPPAPFYSYLF-UHFFFAOYSA-N -1 3 319.324 2.109 20 30 DEEDHM C#Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2OC)c1 ZINC001588375275 1076444652 /nfs/dbraw/zinc/44/46/52/1076444652.db2.gz NEOGPPAPFYSYLF-UHFFFAOYSA-N -1 3 319.324 2.109 20 30 DEEDHM C=C(C)C[C@H](Nc1cc(C)cc(F)c1-c1nnn[n-]1)C(=O)OC ZINC001588409982 1076446405 /nfs/dbraw/zinc/44/64/05/1076446405.db2.gz KNGQENFCWYUAFE-LBPRGKRZSA-N -1 3 319.340 2.234 20 30 DEEDHM C=C(C)C[C@H](Nc1cc(C)cc(F)c1-c1nn[n-]n1)C(=O)OC ZINC001588409982 1076446408 /nfs/dbraw/zinc/44/64/08/1076446408.db2.gz KNGQENFCWYUAFE-LBPRGKRZSA-N -1 3 319.340 2.234 20 30 DEEDHM C=C1CCC(CNC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001588462452 1076449415 /nfs/dbraw/zinc/44/94/15/1076449415.db2.gz OCJLMDCKIQVFNS-UHFFFAOYSA-N -1 3 315.352 2.482 20 30 DEEDHM C=C1CCC(CNC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001588462452 1076449416 /nfs/dbraw/zinc/44/94/16/1076449416.db2.gz OCJLMDCKIQVFNS-UHFFFAOYSA-N -1 3 315.352 2.482 20 30 DEEDHM C=CC(C)(C)CNC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588487700 1076450126 /nfs/dbraw/zinc/45/01/26/1076450126.db2.gz AONLBPCGGJVUGK-UHFFFAOYSA-N -1 3 305.769 2.462 20 30 DEEDHM C=CC(C)(C)CNC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588487700 1076450129 /nfs/dbraw/zinc/45/01/29/1076450129.db2.gz AONLBPCGGJVUGK-UHFFFAOYSA-N -1 3 305.769 2.462 20 30 DEEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588500227 1076450675 /nfs/dbraw/zinc/45/06/75/1076450675.db2.gz SZDIWBPQNFFFAN-HNNXBMFYSA-N -1 3 319.340 2.173 20 30 DEEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588500227 1076450678 /nfs/dbraw/zinc/45/06/78/1076450678.db2.gz SZDIWBPQNFFFAN-HNNXBMFYSA-N -1 3 319.340 2.173 20 30 DEEDHM C=C[C@@H](C)NC(=O)c1c(Cl)cc(-c2nnn[n-]2)cc1Cl ZINC001588515629 1076451382 /nfs/dbraw/zinc/45/13/82/1076451382.db2.gz GNEOZZXJMLISAY-ZCFIWIBFSA-N -1 3 312.160 2.478 20 30 DEEDHM C=C[C@@H](C)NC(=O)c1c(Cl)cc(-c2nn[n-]n2)cc1Cl ZINC001588515629 1076451386 /nfs/dbraw/zinc/45/13/86/1076451386.db2.gz GNEOZZXJMLISAY-ZCFIWIBFSA-N -1 3 312.160 2.478 20 30 DEEDHM C=C[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588527310 1076451924 /nfs/dbraw/zinc/45/19/24/1076451924.db2.gz GULFFZMAKVOAJB-NSHDSACASA-N -1 3 300.322 2.320 20 30 DEEDHM C=C[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588527310 1076451928 /nfs/dbraw/zinc/45/19/28/1076451928.db2.gz GULFFZMAKVOAJB-NSHDSACASA-N -1 3 300.322 2.320 20 30 DEEDHM C=CCCC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588577059 1076455248 /nfs/dbraw/zinc/45/52/48/1076455248.db2.gz BGIZMKRCLWCVJZ-UHFFFAOYSA-N -1 3 303.341 2.480 20 30 DEEDHM C=CCCC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001588577059 1076455252 /nfs/dbraw/zinc/45/52/52/1076455252.db2.gz BGIZMKRCLWCVJZ-UHFFFAOYSA-N -1 3 303.341 2.480 20 30 DEEDHM C=CCCCN(C)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588600961 1076456925 /nfs/dbraw/zinc/45/69/25/1076456925.db2.gz AAIKCCMUWGEGBZ-UHFFFAOYSA-N -1 3 311.389 2.323 20 30 DEEDHM C=CCCCN(C)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588600961 1076456928 /nfs/dbraw/zinc/45/69/28/1076456928.db2.gz AAIKCCMUWGEGBZ-UHFFFAOYSA-N -1 3 311.389 2.323 20 30 DEEDHM C=CCCCNC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001588600935 1076457528 /nfs/dbraw/zinc/45/75/28/1076457528.db2.gz UYLVFRFFRJFEFC-UHFFFAOYSA-N -1 3 304.329 2.402 20 30 DEEDHM C=CCCCNC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001588600935 1076457531 /nfs/dbraw/zinc/45/75/31/1076457531.db2.gz UYLVFRFFRJFEFC-UHFFFAOYSA-N -1 3 304.329 2.402 20 30 DEEDHM CC(=NNC1CCSCC1)c1ccc(-c2nnn[n-]2)s1 ZINC001588776230 1076464078 /nfs/dbraw/zinc/46/40/78/1076464078.db2.gz FLGUNSDCURCLLS-UHFFFAOYSA-N -1 3 308.436 2.137 20 30 DEEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cncc(C)c1 ZINC001588777377 1076464960 /nfs/dbraw/zinc/46/49/60/1076464960.db2.gz QGTDNTVUOMRLQW-UHFFFAOYSA-N -1 3 307.361 2.084 20 30 DEEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cncc(C)c1 ZINC001588777377 1076464963 /nfs/dbraw/zinc/46/49/63/1076464963.db2.gz QGTDNTVUOMRLQW-UHFFFAOYSA-N -1 3 307.361 2.084 20 30 DEEDHM CC(=NNCc1ccc(C#N)cc1)c1ccccc1-c1nnn[n-]1 ZINC001588777376 1076465531 /nfs/dbraw/zinc/46/55/31/1076465531.db2.gz QELFYLGPKFPDGS-UHFFFAOYSA-N -1 3 317.356 2.252 20 30 DEEDHM CC(=NNCc1ccc(C#N)cc1)c1ccccc1-c1nn[n-]n1 ZINC001588777376 1076465532 /nfs/dbraw/zinc/46/55/32/1076465532.db2.gz QELFYLGPKFPDGS-UHFFFAOYSA-N -1 3 317.356 2.252 20 30 DEEDHM CC(C)(C#N)CC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001589033974 1076472629 /nfs/dbraw/zinc/47/26/29/1076472629.db2.gz NVZAWBVKCQANPK-UHFFFAOYSA-N -1 3 324.388 2.302 20 30 DEEDHM CC(C)(C#N)CC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001589033974 1076472634 /nfs/dbraw/zinc/47/26/34/1076472634.db2.gz NVZAWBVKCQANPK-UHFFFAOYSA-N -1 3 324.388 2.302 20 30 DEEDHM CC(C)c1nccnc1N=NCc1ccc(-c2nnn[n-]2)s1 ZINC001589776378 1076513984 /nfs/dbraw/zinc/51/39/84/1076513984.db2.gz BQFSZJCAXVLLIV-UHFFFAOYSA-N -1 3 314.378 2.288 20 30 DEEDHM C[C@](O)(CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001589990511 1076542876 /nfs/dbraw/zinc/54/28/76/1076542876.db2.gz KEICXVFAHDTQIW-KRWDZBQOSA-N -1 3 320.356 2.058 20 30 DEEDHM C[C@](O)(CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1 ZINC001589990511 1076542881 /nfs/dbraw/zinc/54/28/81/1076542881.db2.gz KEICXVFAHDTQIW-KRWDZBQOSA-N -1 3 320.356 2.058 20 30 DEEDHM CC1(C)C[C@H](NN=Cc2ccccc2-c2nnn[n-]2)C(C)(C)O1 ZINC001590084004 1076557549 /nfs/dbraw/zinc/55/75/49/1076557549.db2.gz RKWCXRNIFKWLTK-ZDUSSCGKSA-N -1 3 314.393 2.136 20 30 DEEDHM CC1(C)C[C@H](NN=Cc2ccccc2-c2nn[n-]n2)C(C)(C)O1 ZINC001590084004 1076557554 /nfs/dbraw/zinc/55/75/54/1076557554.db2.gz RKWCXRNIFKWLTK-ZDUSSCGKSA-N -1 3 314.393 2.136 20 30 DEEDHM CC1(C)CC[C@H](Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)C1 ZINC001590089918 1076560125 /nfs/dbraw/zinc/56/01/25/1076560125.db2.gz BBWDUIUSWCGBBT-VIFPVBQESA-N -1 3 315.406 2.386 20 30 DEEDHM CC1(C)CC[C@H](Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)C1 ZINC001590089918 1076560132 /nfs/dbraw/zinc/56/01/32/1076560132.db2.gz BBWDUIUSWCGBBT-VIFPVBQESA-N -1 3 315.406 2.386 20 30 DEEDHM CCCc1ncc(CNc2c(C#N)cccc2-c2nnn[n-]2)o1 ZINC001590661509 1076665972 /nfs/dbraw/zinc/66/59/72/1076665972.db2.gz HXUQGINTYDTSKA-UHFFFAOYSA-N -1 3 309.333 2.291 20 30 DEEDHM CCCc1ncc(CNc2c(C#N)cccc2-c2nn[n-]n2)o1 ZINC001590661509 1076665974 /nfs/dbraw/zinc/66/59/74/1076665974.db2.gz HXUQGINTYDTSKA-UHFFFAOYSA-N -1 3 309.333 2.291 20 30 DEEDHM CCc1nc(C#N)cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC001590908831 1076692592 /nfs/dbraw/zinc/69/25/92/1076692592.db2.gz AKPOKVARXHZXDH-JTQLQIEISA-N -1 3 320.360 2.264 20 30 DEEDHM CCc1nc(C#N)cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC001590908831 1076692594 /nfs/dbraw/zinc/69/25/94/1076692594.db2.gz AKPOKVARXHZXDH-JTQLQIEISA-N -1 3 320.360 2.264 20 30 DEEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1(C#N)CCC1 ZINC001590991491 1076702083 /nfs/dbraw/zinc/70/20/83/1076702083.db2.gz SMWYETKGUWYWEP-UHFFFAOYSA-N -1 3 316.752 2.038 20 30 DEEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1(C#N)CCC1 ZINC001590991491 1076702086 /nfs/dbraw/zinc/70/20/86/1076702086.db2.gz SMWYETKGUWYWEP-UHFFFAOYSA-N -1 3 316.752 2.038 20 30 DEEDHM CO[C@H](CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)CC(C)C ZINC001591325958 1076722989 /nfs/dbraw/zinc/72/29/89/1076722989.db2.gz DONNOEUQHRRVII-JTQLQIEISA-N -1 3 323.788 2.374 20 30 DEEDHM CO[C@H](CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)CC(C)C ZINC001591325958 1076722991 /nfs/dbraw/zinc/72/29/91/1076722991.db2.gz DONNOEUQHRRVII-JTQLQIEISA-N -1 3 323.788 2.374 20 30 DEEDHM CO[C@H]1C[C@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C12CCC2 ZINC001591348233 1076729742 /nfs/dbraw/zinc/72/97/42/1076729742.db2.gz KMYPENQWHYHHFG-STQMWFEESA-N -1 3 310.361 2.108 20 30 DEEDHM CO[C@H]1C[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C12CCC2 ZINC001591348233 1076729746 /nfs/dbraw/zinc/72/97/46/1076729746.db2.gz KMYPENQWHYHHFG-STQMWFEESA-N -1 3 310.361 2.108 20 30 DEEDHM COc1cc(-c2nnn[n-]2)ccc1OC(=O)CCCCCC#N ZINC001591495281 1076751617 /nfs/dbraw/zinc/75/16/17/1076751617.db2.gz ZJRUVCMPYFFKNH-UHFFFAOYSA-N -1 3 315.333 2.255 20 30 DEEDHM COc1cc(-c2nn[n-]n2)ccc1OC(=O)CCCCCC#N ZINC001591495281 1076751622 /nfs/dbraw/zinc/75/16/22/1076751622.db2.gz ZJRUVCMPYFFKNH-UHFFFAOYSA-N -1 3 315.333 2.255 20 30 DEEDHM COc1cc(CNc2ccc(F)c(C#N)c2)ccc1-c1nnn[n-]1 ZINC001591535605 1076754863 /nfs/dbraw/zinc/75/48/63/1076754863.db2.gz IASFRAOEFOGYTH-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1cc(CNc2ccc(F)c(C#N)c2)ccc1-c1nn[n-]n1 ZINC001591535605 1076754868 /nfs/dbraw/zinc/75/48/68/1076754868.db2.gz IASFRAOEFOGYTH-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1ccc(C#N)cc1NCc1cccc(F)c1-c1nnn[n-]1 ZINC001591570626 1076759454 /nfs/dbraw/zinc/75/94/54/1076759454.db2.gz VIBOYZCEOCLTIB-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1ccc(C#N)cc1NCc1cccc(F)c1-c1nn[n-]n1 ZINC001591570626 1076759459 /nfs/dbraw/zinc/75/94/59/1076759459.db2.gz VIBOYZCEOCLTIB-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1ccc(CNc2cc(C#N)cc(C)n2)cc1-c1nnn[n-]1 ZINC001591600985 1076763579 /nfs/dbraw/zinc/76/35/79/1076763579.db2.gz GXFILQBUXXRMKB-UHFFFAOYSA-N -1 3 321.344 2.063 20 30 DEEDHM COc1ccc(CNc2cc(C#N)cc(C)n2)cc1-c1nn[n-]n1 ZINC001591600985 1076763580 /nfs/dbraw/zinc/76/35/80/1076763580.db2.gz GXFILQBUXXRMKB-UHFFFAOYSA-N -1 3 321.344 2.063 20 30 DEEDHM Cc1c(NC(=O)c2csc(C#N)c2)cccc1-c1nnn[n-]1 ZINC001591828628 1076788893 /nfs/dbraw/zinc/78/88/93/1076788893.db2.gz BSOVLMROZNNBJV-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1c(NC(=O)c2csc(C#N)c2)cccc1-c1nn[n-]n1 ZINC001591828628 1076788898 /nfs/dbraw/zinc/78/88/98/1076788898.db2.gz BSOVLMROZNNBJV-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1cc(C=NN[C@@H]2CCOC(C)(C)C2)ccc1-c1nnn[n-]1 ZINC001591958517 1076815893 /nfs/dbraw/zinc/81/58/93/1076815893.db2.gz IVZXMOXOBAUUPK-CYBMUJFWSA-N -1 3 314.393 2.056 20 30 DEEDHM Cc1cc(C=NN[C@@H]2CCOC(C)(C)C2)ccc1-c1nn[n-]n1 ZINC001591958517 1076815896 /nfs/dbraw/zinc/81/58/96/1076815896.db2.gz IVZXMOXOBAUUPK-CYBMUJFWSA-N -1 3 314.393 2.056 20 30 DEEDHM Cc1nnc(NCC(C)(C)CCC#N)c(-c2nnn[n-]2)c1C ZINC001592447966 1076914972 /nfs/dbraw/zinc/91/49/72/1076914972.db2.gz YNHXLBQRTOGNNU-UHFFFAOYSA-N -1 3 300.370 2.015 20 30 DEEDHM Cc1nnc(NCC(C)(C)CCC#N)c(-c2nn[n-]n2)c1C ZINC001592447966 1076914974 /nfs/dbraw/zinc/91/49/74/1076914974.db2.gz YNHXLBQRTOGNNU-UHFFFAOYSA-N -1 3 300.370 2.015 20 30 DEEDHM Cc1nsc(N2Cc3ccc(-c4nnn[n-]4)cc3C2)c1C#N ZINC001592476864 1076916561 /nfs/dbraw/zinc/91/65/61/1076916561.db2.gz HUKFQBFYCWTRJM-UHFFFAOYSA-N -1 3 309.358 2.024 20 30 DEEDHM Cc1nsc(N2Cc3ccc(-c4nn[n-]n4)cc3C2)c1C#N ZINC001592476864 1076916564 /nfs/dbraw/zinc/91/65/64/1076916564.db2.gz HUKFQBFYCWTRJM-UHFFFAOYSA-N -1 3 309.358 2.024 20 30 DEEDHM Fc1cc(C=NNC[C@@H]2CCCC2(F)F)ccc1-c1nnn[n-]1 ZINC001592638504 1076938980 /nfs/dbraw/zinc/93/89/80/1076938980.db2.gz WSROMBCJLJHEJT-JTQLQIEISA-N -1 3 324.310 2.365 20 30 DEEDHM Fc1cc(C=NNC[C@@H]2CCCC2(F)F)ccc1-c1nn[n-]n1 ZINC001592638504 1076938982 /nfs/dbraw/zinc/93/89/82/1076938982.db2.gz WSROMBCJLJHEJT-JTQLQIEISA-N -1 3 324.310 2.365 20 30 DEEDHM N#C[C@@H](NC(=O)c1csc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001592668960 1076949842 /nfs/dbraw/zinc/94/98/42/1076949842.db2.gz KNFTXIWWNWCVTD-LLVKDONJSA-N -1 3 316.390 2.130 20 30 DEEDHM N#Cc1ccc(CCC(=O)Nc2sccc2-c2nnn[n-]2)cc1 ZINC001592691789 1076953378 /nfs/dbraw/zinc/95/33/78/1076953378.db2.gz BMUQXGKPKXLIBZ-UHFFFAOYSA-N -1 3 324.369 2.371 20 30 DEEDHM N#Cc1ccc(CCC(=O)Nc2sccc2-c2nn[n-]n2)cc1 ZINC001592691789 1076953382 /nfs/dbraw/zinc/95/33/82/1076953382.db2.gz BMUQXGKPKXLIBZ-UHFFFAOYSA-N -1 3 324.369 2.371 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@H](c2ccco2)C1 ZINC001592699450 1076956013 /nfs/dbraw/zinc/95/60/13/1076956013.db2.gz ZVHCRWYIVQGDKJ-LBPRGKRZSA-N -1 3 306.329 2.325 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@H](c2ccco2)C1 ZINC001592699450 1076956014 /nfs/dbraw/zinc/95/60/14/1076956014.db2.gz ZVHCRWYIVQGDKJ-LBPRGKRZSA-N -1 3 306.329 2.325 20 30 DEEDHM O=C(C=Cc1cocn1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001592803067 1076961370 /nfs/dbraw/zinc/96/13/70/1076961370.db2.gz IFTLFMZBGUPNJM-DUXPYHPUSA-N -1 3 301.693 2.404 20 30 DEEDHM O=C(C=Cc1cocn1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001592803067 1076961373 /nfs/dbraw/zinc/96/13/73/1076961373.db2.gz IFTLFMZBGUPNJM-DUXPYHPUSA-N -1 3 301.693 2.404 20 30 DEEDHM N#Cc1ccc(CN[C@@]2(CC(=O)[O-])CCCOC2)c(Cl)c1 ZINC001601101468 1077339770 /nfs/dbraw/zinc/33/97/70/1077339770.db2.gz AQHQMPYGZYSMDH-OAHLLOKOSA-N -1 3 308.765 2.325 20 30 DEEDHM N#Cc1cnccc1CN1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001601131626 1077346445 /nfs/dbraw/zinc/34/64/45/1077346445.db2.gz JFDPSCQHVVYZEP-SFHVURJKSA-N -1 3 307.353 2.182 20 30 DEEDHM C#C[C@@H](NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1)C(C)(C)C ZINC001609018689 1077742889 /nfs/dbraw/zinc/74/28/89/1077742889.db2.gz DBZYUFJZKSXOSO-CQSZACIVSA-N -1 3 323.400 2.062 20 30 DEEDHM C#C[C@@H](NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1)C(C)(C)C ZINC001609018689 1077742893 /nfs/dbraw/zinc/74/28/93/1077742893.db2.gz DBZYUFJZKSXOSO-CQSZACIVSA-N -1 3 323.400 2.062 20 30 DEEDHM C=C(Br)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609051415 1077748476 /nfs/dbraw/zinc/74/84/76/1077748476.db2.gz YPNBSIKRFWIDAO-UHFFFAOYSA-N -1 3 305.139 2.059 20 30 DEEDHM C=C(Br)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609051415 1077748481 /nfs/dbraw/zinc/74/84/81/1077748481.db2.gz YPNBSIKRFWIDAO-UHFFFAOYSA-N -1 3 305.139 2.059 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609055332 1077750783 /nfs/dbraw/zinc/75/07/83/1077750783.db2.gz VXDCSDGNSAEBQB-VIFPVBQESA-N -1 3 321.768 2.440 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609055332 1077750791 /nfs/dbraw/zinc/75/07/91/1077750791.db2.gz VXDCSDGNSAEBQB-VIFPVBQESA-N -1 3 321.768 2.440 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001609055186 1077750911 /nfs/dbraw/zinc/75/09/11/1077750911.db2.gz SQUUBNSYXBAREC-NSHDSACASA-N -1 3 301.350 2.095 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001609055186 1077750915 /nfs/dbraw/zinc/75/09/15/1077750915.db2.gz SQUUBNSYXBAREC-NSHDSACASA-N -1 3 301.350 2.095 20 30 DEEDHM CC(C)(C#N)CCCCOC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001609072289 1077752957 /nfs/dbraw/zinc/75/29/57/1077752957.db2.gz KHHHIQMNWHCUSM-UHFFFAOYSA-N -1 3 314.349 2.139 20 30 DEEDHM CC(C)(C#N)CCCCOC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001609072289 1077752961 /nfs/dbraw/zinc/75/29/61/1077752961.db2.gz KHHHIQMNWHCUSM-UHFFFAOYSA-N -1 3 314.349 2.139 20 30 DEEDHM C#CC[C@@H](NCc1cccc(F)c1Br)C(=O)[O-] ZINC001609089220 1077756973 /nfs/dbraw/zinc/75/69/73/1077756973.db2.gz IMDFARNQCCNKTM-SNVBAGLBSA-N -1 3 300.127 2.154 20 30 DEEDHM FC(F)(F)CCNN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609484131 1077867264 /nfs/dbraw/zinc/86/72/64/1077867264.db2.gz SPBVNHMZEXLRKY-UHFFFAOYSA-N -1 3 324.310 2.449 20 30 DEEDHM FC(F)(F)CCNN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609484131 1077867266 /nfs/dbraw/zinc/86/72/66/1077867266.db2.gz SPBVNHMZEXLRKY-UHFFFAOYSA-N -1 3 324.310 2.449 20 30 DEEDHM N#Cc1cc(NC(=O)CC2CC(F)(F)C2)ccc1-c1nnn[n-]1 ZINC001609498020 1077871468 /nfs/dbraw/zinc/87/14/68/1077871468.db2.gz XQVSXSXRCRHPDM-UHFFFAOYSA-N -1 3 318.287 2.112 20 30 DEEDHM N#Cc1cc(NC(=O)CC2CC(F)(F)C2)ccc1-c1nn[n-]n1 ZINC001609498020 1077871472 /nfs/dbraw/zinc/87/14/72/1077871472.db2.gz XQVSXSXRCRHPDM-UHFFFAOYSA-N -1 3 318.287 2.112 20 30 DEEDHM N#Cc1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)c(F)c1 ZINC001609498320 1077871669 /nfs/dbraw/zinc/87/16/69/1077871669.db2.gz GOJAFSAZACSTJO-UHFFFAOYSA-N -1 3 319.303 2.361 20 30 DEEDHM N#Cc1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)c(F)c1 ZINC001609498320 1077871670 /nfs/dbraw/zinc/87/16/70/1077871670.db2.gz 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C=C(C)CCC(=O)N1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001296397195 1139771729 /nfs/dbraw/zinc/77/17/29/1139771729.db2.gz REXSIAYBZLCNCF-CQSZACIVSA-N -1 3 316.401 2.469 20 30 DEEDHM C#CCOc1ccccc1NC(=O)CCc1c(C)nc[n-]c1=O ZINC001320430505 1140865142 /nfs/dbraw/zinc/86/51/42/1140865142.db2.gz AKHZIGFDBAODRT-UHFFFAOYSA-N -1 3 311.341 2.074 20 30 DEEDHM C=CCCN(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001337175399 1142702819 /nfs/dbraw/zinc/70/28/19/1142702819.db2.gz FYVIUVIBPXEUOJ-UHFFFAOYSA-N -1 3 316.810 2.360 20 30 DEEDHM C=CC[C@@H]1CCCN(c2nnc(-c3cc(=O)[n-]c(C)n3)n2C)C1 ZINC001337969686 1142815390 /nfs/dbraw/zinc/81/53/90/1142815390.db2.gz YANQODCTYLXEBX-GFCCVEGCSA-N -1 3 314.393 2.079 20 30 DEEDHM Cn1ccnc1[C@@H]([N-]C(=O)CC(F)(F)C(F)F)C(F)(F)F ZINC001338577718 1142864523 /nfs/dbraw/zinc/86/45/23/1142864523.db2.gz YFWLXSBJIVTQTH-ZCFIWIBFSA-N -1 3 321.196 2.430 20 30 DEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCCC(C)(C)C1 ZINC001338834336 1142883643 /nfs/dbraw/zinc/88/36/43/1142883643.db2.gz 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C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000614823208 362469240 /nfs/dbraw/zinc/46/92/40/362469240.db2.gz CWVXRNVDDVTXSQ-VXGBXAGGSA-N -1 3 319.405 2.469 20 30 DEEDHM Cc1ccc(Br)c([N-]S(=O)(=O)[C@H](C)C#N)c1 ZINC000164008161 186145858 /nfs/dbraw/zinc/14/58/58/186145858.db2.gz KYYCNVUADPZTFI-MRVPVSSYSA-N -1 3 303.181 2.411 20 30 DEEDHM Cc1ccc(-c2cc(C(=O)Nc3ccn(CCC#N)n3)n[n-]2)o1 ZINC000172152478 198047971 /nfs/dbraw/zinc/04/79/71/198047971.db2.gz ZZRUWEHGPQKBCD-UHFFFAOYSA-N -1 3 310.317 2.341 20 30 DEEDHM Cc1ccc(-c2cc(C(=O)Nc3ccn(CCC#N)n3)[n-]n2)o1 ZINC000172152478 198047973 /nfs/dbraw/zinc/04/79/73/198047973.db2.gz ZZRUWEHGPQKBCD-UHFFFAOYSA-N -1 3 310.317 2.341 20 30 DEEDHM C=CCN(C(=O)c1cc(OC)c([O-])c(OC)c1)[C@H](C)COC ZINC000617581143 363196245 /nfs/dbraw/zinc/19/62/45/363196245.db2.gz LRMVFRPLJDNRIV-LLVKDONJSA-N -1 3 309.362 2.073 20 30 DEEDHM N#CC(=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1)c1ccccn1 ZINC000054452468 354462016 /nfs/dbraw/zinc/46/20/16/354462016.db2.gz 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/nfs/dbraw/zinc/14/98/39/355149839.db2.gz UVTTUYCMSHBVFS-UHFFFAOYSA-N -1 3 312.285 2.488 20 30 DEEDHM COC(=O)c1cccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC000076462260 355149843 /nfs/dbraw/zinc/14/98/43/355149843.db2.gz UVTTUYCMSHBVFS-UHFFFAOYSA-N -1 3 312.285 2.488 20 30 DEEDHM CC(C)(C#N)CC[S@@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000579198456 356935933 /nfs/dbraw/zinc/93/59/33/356935933.db2.gz GCTHHKBKIAPPNU-OAQYLSRUSA-N -1 3 321.324 2.390 20 30 DEEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000590421130 357544066 /nfs/dbraw/zinc/54/40/66/357544066.db2.gz WLTRYSGHKKUJMP-UHFFFAOYSA-N -1 3 306.325 2.412 20 30 DEEDHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCc2cc(C#N)ccc21 ZINC000618716968 363584535 /nfs/dbraw/zinc/58/45/35/363584535.db2.gz QJYAXLWXHWIYRH-CQSZACIVSA-N -1 3 317.370 2.129 20 30 DEEDHM N#CC[C@]1(O)CCN(Cc2cccc([O-])c2Br)C1 ZINC000592525530 357895321 /nfs/dbraw/zinc/89/53/21/357895321.db2.gz PSQUJLZGOBMJDH-ZDUSSCGKSA-N -1 3 311.179 2.005 20 30 DEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCCCCCO ZINC000180651220 199190408 /nfs/dbraw/zinc/19/04/08/199190408.db2.gz DGAHHIMOYPNOMR-UHFFFAOYSA-N -1 3 316.810 2.043 20 30 DEEDHM COC[C@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594745096 358331624 /nfs/dbraw/zinc/33/16/24/358331624.db2.gz WTROKGUCGGEPTF-VIFPVBQESA-N -1 3 324.427 2.395 20 30 DEEDHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](CC#N)C2)c1 ZINC000597907847 359037272 /nfs/dbraw/zinc/03/72/72/359037272.db2.gz IOQYSRFUKCDTRB-GFCCVEGCSA-N -1 3 301.346 2.116 20 30 DEEDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)OCC ZINC000599367658 359479531 /nfs/dbraw/zinc/47/95/31/359479531.db2.gz LKXWZGNRJHDNQL-GFCCVEGCSA-N -1 3 314.382 2.181 20 30 DEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@H]1C(F)(F)F ZINC000601521242 360061973 /nfs/dbraw/zinc/06/19/73/360061973.db2.gz LRLKBCKYJNROSY-RKDXNWHRSA-N -1 3 324.711 2.441 20 30 DEEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2sccc2C#N)n1 ZINC000602173104 360299435 /nfs/dbraw/zinc/29/94/35/360299435.db2.gz 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/nfs/dbraw/zinc/45/37/16/1076453716.db2.gz LLRIHGNAUFPIFY-UHFFFAOYSA-N -1 3 307.304 2.037 20 30 DEEDHM C=CC[C@@H]1CCCN(C(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001588560290 1076454959 /nfs/dbraw/zinc/45/49/59/1076454959.db2.gz OZKAZPZVINTPMA-SNVBAGLBSA-N -1 3 303.391 2.357 20 30 DEEDHM C=CCCCCNC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588595996 1076456381 /nfs/dbraw/zinc/45/63/81/1076456381.db2.gz DJGRZYKJHIWUFD-UHFFFAOYSA-N -1 3 311.389 2.371 20 30 DEEDHM C=CCCCCNC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588595996 1076456383 /nfs/dbraw/zinc/45/63/83/1076456383.db2.gz DJGRZYKJHIWUFD-UHFFFAOYSA-N -1 3 311.389 2.371 20 30 DEEDHM C=CCCCCCNC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588595931 1076456474 /nfs/dbraw/zinc/45/64/74/1076456474.db2.gz AQLVICGDOAZSDJ-UHFFFAOYSA-N -1 3 315.377 2.352 20 30 DEEDHM C=CCCCCCNC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588595931 1076456477 /nfs/dbraw/zinc/45/64/77/1076456477.db2.gz AQLVICGDOAZSDJ-UHFFFAOYSA-N -1 3 315.377 2.352 20 30 DEEDHM C=CCCCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588596540 1076456796 /nfs/dbraw/zinc/45/67/96/1076456796.db2.gz SHEYVLYLLKHEBT-UHFFFAOYSA-N -1 3 316.365 2.353 20 30 DEEDHM C=CCCCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588596540 1076456799 /nfs/dbraw/zinc/45/67/99/1076456799.db2.gz SHEYVLYLLKHEBT-UHFFFAOYSA-N -1 3 316.365 2.353 20 30 DEEDHM C=CCN(CCc1ccco1)c1ncc(-c2nnn[n-]2)cc1F ZINC001588634994 1076458594 /nfs/dbraw/zinc/45/85/94/1076458594.db2.gz BEURAPZUSTXSNY-UHFFFAOYSA-N -1 3 314.324 2.229 20 30 DEEDHM C=CCN(CCc1ccco1)c1ncc(-c2nn[n-]n2)cc1F ZINC001588634994 1076458606 /nfs/dbraw/zinc/45/86/06/1076458606.db2.gz BEURAPZUSTXSNY-UHFFFAOYSA-N -1 3 314.324 2.229 20 30 DEEDHM CC(=O)Nc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588876114 1076467061 /nfs/dbraw/zinc/46/70/61/1076467061.db2.gz KZDIXBGTWCSAIF-UHFFFAOYSA-N -1 3 321.344 2.271 20 30 DEEDHM CC(=O)Nc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588876114 1076467065 /nfs/dbraw/zinc/46/70/65/1076467065.db2.gz KZDIXBGTWCSAIF-UHFFFAOYSA-N -1 3 321.344 2.271 20 30 DEEDHM CC(C)(C)C#Cc1nnc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001589071912 1076473474 /nfs/dbraw/zinc/47/34/74/1076473474.db2.gz XDLVGHBLXWHMGQ-UHFFFAOYSA-N -1 3 324.344 2.226 20 30 DEEDHM CC(C)(C)C#Cc1nnc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001589071912 1076473476 /nfs/dbraw/zinc/47/34/76/1076473476.db2.gz XDLVGHBLXWHMGQ-UHFFFAOYSA-N -1 3 324.344 2.226 20 30 DEEDHM CC(C)[C@](C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001589419482 1076488909 /nfs/dbraw/zinc/48/89/09/1076488909.db2.gz PLXIFKXUWVGWII-AWEZNQCLSA-N -1 3 318.768 2.188 20 30 DEEDHM CC(C)[C@](C)(C#N)NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001589419482 1076488913 /nfs/dbraw/zinc/48/89/13/1076488913.db2.gz PLXIFKXUWVGWII-AWEZNQCLSA-N -1 3 318.768 2.188 20 30 DEEDHM CC(C)[C@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CCS1 ZINC001589518305 1076496526 /nfs/dbraw/zinc/49/65/26/1076496526.db2.gz SXIFCEYPBVFBPH-CYBMUJFWSA-N -1 3 314.418 2.316 20 30 DEEDHM CC(C)[C@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CCS1 ZINC001589518305 1076496527 /nfs/dbraw/zinc/49/65/27/1076496527.db2.gz SXIFCEYPBVFBPH-CYBMUJFWSA-N -1 3 314.418 2.316 20 30 DEEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C#CC1CC1 ZINC001589695353 1076506841 /nfs/dbraw/zinc/50/68/41/1076506841.db2.gz NSSRIMRMAPYVGA-UHFFFAOYSA-N -1 3 309.373 2.017 20 30 DEEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C#CC1CC1 ZINC001589695353 1076506843 /nfs/dbraw/zinc/50/68/43/1076506843.db2.gz NSSRIMRMAPYVGA-UHFFFAOYSA-N -1 3 309.373 2.017 20 30 DEEDHM C[C@H](OC(=O)c1cc(C#N)ccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590011985 1076547106 /nfs/dbraw/zinc/54/71/06/1076547106.db2.gz SZUBJDNUFWTYGN-JTQLQIEISA-N -1 3 320.312 2.051 20 30 DEEDHM C[C@H](OC(=O)c1cc(C#N)ccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590011985 1076547110 /nfs/dbraw/zinc/54/71/10/1076547110.db2.gz SZUBJDNUFWTYGN-JTQLQIEISA-N -1 3 320.312 2.051 20 30 DEEDHM CC[C@@](C)(C#N)C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001590371615 1076616992 /nfs/dbraw/zinc/61/69/92/1076616992.db2.gz GBYJBUMSUVHUCI-BZNIZROVSA-N -1 3 312.377 2.326 20 30 DEEDHM CC[C@@](C)(C#N)C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590371615 1076616994 /nfs/dbraw/zinc/61/69/94/1076616994.db2.gz GBYJBUMSUVHUCI-BZNIZROVSA-N -1 3 312.377 2.326 20 30 DEEDHM CCC[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)OCC ZINC001590558201 1076651778 /nfs/dbraw/zinc/65/17/78/1076651778.db2.gz ZMSXKHVNOPUHHT-GFCCVEGCSA-N -1 3 300.366 2.355 20 30 DEEDHM CCC[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)OCC ZINC001590558201 1076651780 /nfs/dbraw/zinc/65/17/80/1076651780.db2.gz ZMSXKHVNOPUHHT-GFCCVEGCSA-N -1 3 300.366 2.355 20 30 DEEDHM CCOC(=O)C[C@H](C)Sc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590760946 1076673788 /nfs/dbraw/zinc/67/37/88/1076673788.db2.gz IRXMOOAFUSIBGZ-VIFPVBQESA-N -1 3 317.374 2.172 20 30 DEEDHM CCOC(=O)C[C@H](C)Sc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590760946 1076673790 /nfs/dbraw/zinc/67/37/90/1076673790.db2.gz IRXMOOAFUSIBGZ-VIFPVBQESA-N -1 3 317.374 2.172 20 30 DEEDHM CN(C(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCC[C@@H]1C#N ZINC001590985204 1076701170 /nfs/dbraw/zinc/70/11/70/1076701170.db2.gz KDTHPMCENOJUGH-DGCLKSJQSA-N -1 3 311.349 2.023 20 30 DEEDHM CN(C(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC[C@@H]1C#N ZINC001590985204 1076701173 /nfs/dbraw/zinc/70/11/73/1076701173.db2.gz KDTHPMCENOJUGH-DGCLKSJQSA-N -1 3 311.349 2.023 20 30 DEEDHM COc1cc(CN(CC#N)C2CCCC2)ccc1-c1nnn[n-]1 ZINC001591525672 1076753696 /nfs/dbraw/zinc/75/36/96/1076753696.db2.gz IKSVKXNVXGWNJS-UHFFFAOYSA-N -1 3 312.377 2.143 20 30 DEEDHM COc1cc(CN(CC#N)C2CCCC2)ccc1-c1nn[n-]n1 ZINC001591525672 1076753700 /nfs/dbraw/zinc/75/37/00/1076753700.db2.gz IKSVKXNVXGWNJS-UHFFFAOYSA-N -1 3 312.377 2.143 20 30 DEEDHM COc1cc(CNc2nc(C)ccc2-c2nnn[n-]2)ccc1C#N ZINC001591537773 1076754932 /nfs/dbraw/zinc/75/49/32/1076754932.db2.gz XNGQTKUUNIDDED-UHFFFAOYSA-N -1 3 321.344 2.063 20 30 DEEDHM COc1cc(CNc2nc(C)ccc2-c2nn[n-]n2)ccc1C#N ZINC001591537773 1076754938 /nfs/dbraw/zinc/75/49/38/1076754938.db2.gz XNGQTKUUNIDDED-UHFFFAOYSA-N -1 3 321.344 2.063 20 30 DEEDHM COc1cc(Oc2c(C#N)cccc2-c2nnn[n-]2)ccc1C#N ZINC001591554026 1076758007 /nfs/dbraw/zinc/75/80/07/1076758007.db2.gz UVLXGZOFMMGLJH-UHFFFAOYSA-N -1 3 318.296 2.411 20 30 DEEDHM COc1cc(Oc2c(C#N)cccc2-c2nn[n-]n2)ccc1C#N ZINC001591554026 1076758010 /nfs/dbraw/zinc/75/80/10/1076758010.db2.gz UVLXGZOFMMGLJH-UHFFFAOYSA-N -1 3 318.296 2.411 20 30 DEEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1O ZINC001591582831 1076761356 /nfs/dbraw/zinc/76/13/56/1076761356.db2.gz PNJHSUGMUSYGJH-SOFGYWHQSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1O ZINC001591582831 1076761361 /nfs/dbraw/zinc/76/13/61/1076761361.db2.gz PNJHSUGMUSYGJH-SOFGYWHQSA-N -1 3 322.324 2.477 20 30 DEEDHM CS[C@H]1CCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001591689744 1076772620 /nfs/dbraw/zinc/77/26/20/1076772620.db2.gz HSNNYKHGTIBVLX-QMMMGPOBSA-N -1 3 309.786 2.208 20 30 DEEDHM CS[C@H]1CCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001591689744 1076772624 /nfs/dbraw/zinc/77/26/24/1076772624.db2.gz HSNNYKHGTIBVLX-QMMMGPOBSA-N -1 3 309.786 2.208 20 30 DEEDHM C[C@@H](OC(=O)c1cc(C#N)ccn1)c1cccc(-c2nnn[n-]2)c1 ZINC001591732785 1076779917 /nfs/dbraw/zinc/77/99/17/1076779917.db2.gz OCBADYUGFFVTSN-SNVBAGLBSA-N -1 3 320.312 2.051 20 30 DEEDHM C[C@@H](OC(=O)c1cc(C#N)ccn1)c1cccc(-c2nn[n-]n2)c1 ZINC001591732785 1076779918 /nfs/dbraw/zinc/77/99/18/1076779918.db2.gz OCBADYUGFFVTSN-SNVBAGLBSA-N -1 3 320.312 2.051 20 30 DEEDHM Cc1c(C#N)cccc1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001591801347 1076785747 /nfs/dbraw/zinc/78/57/47/1076785747.db2.gz BFEFXDOTHJSFSV-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1c2cc(-c3nnn[n-]3)ccc2sc1C(=O)NCCC#N ZINC001591807647 1076787295 /nfs/dbraw/zinc/78/72/95/1076787295.db2.gz QXUDKHKCMGWNCQ-UHFFFAOYSA-N -1 3 312.358 2.033 20 30 DEEDHM Cc1c2cc(-c3nn[n-]n3)ccc2sc1C(=O)NCCC#N ZINC001591807647 1076787299 /nfs/dbraw/zinc/78/72/99/1076787299.db2.gz QXUDKHKCMGWNCQ-UHFFFAOYSA-N -1 3 312.358 2.033 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1COc1ccc(F)nc1C#N ZINC001591847839 1076793914 /nfs/dbraw/zinc/79/39/14/1076793914.db2.gz CGQOVAGDNRHZQO-UHFFFAOYSA-N -1 3 324.319 2.468 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1COc1ccc(F)nc1C#N ZINC001591847839 1076793918 /nfs/dbraw/zinc/79/39/18/1076793918.db2.gz CGQOVAGDNRHZQO-UHFFFAOYSA-N -1 3 324.319 2.468 20 30 DEEDHM Cc1cc(OC(=O)c2cccc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001592058529 1076841616 /nfs/dbraw/zinc/84/16/16/1076841616.db2.gz TUZPOAMZPJJBGX-UHFFFAOYSA-N -1 3 305.297 2.266 20 30 DEEDHM Cc1cc(OC(=O)c2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001592058529 1076841623 /nfs/dbraw/zinc/84/16/23/1076841623.db2.gz TUZPOAMZPJJBGX-UHFFFAOYSA-N -1 3 305.297 2.266 20 30 DEEDHM Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1-c1nnn[n-]1 ZINC001592122788 1076852790 /nfs/dbraw/zinc/85/27/90/1076852790.db2.gz GGGQXMWAJVSIPM-APPDUMDISA-N -1 3 324.388 2.377 20 30 DEEDHM Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001592122788 1076852797 /nfs/dbraw/zinc/85/27/97/1076852797.db2.gz GGGQXMWAJVSIPM-APPDUMDISA-N -1 3 324.388 2.377 20 30 DEEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(N3CC[C@@](C)(C#N)C3)c2c1 ZINC001592207517 1076874720 /nfs/dbraw/zinc/87/47/20/1076874720.db2.gz GNNFCPRSPLVNRB-KRWDZBQOSA-N -1 3 319.372 2.463 20 30 DEEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(N3CC[C@@](C)(C#N)C3)c2c1 ZINC001592207517 1076874723 /nfs/dbraw/zinc/87/47/23/1076874723.db2.gz GNNFCPRSPLVNRB-KRWDZBQOSA-N -1 3 319.372 2.463 20 30 DEEDHM N#CC1(C(=O)OCc2cc(Cl)cc(-c3nnn[n-]3)c2)CCC1 ZINC001592667104 1076948505 /nfs/dbraw/zinc/94/85/05/1076948505.db2.gz PAPFGBNCOUGHPW-UHFFFAOYSA-N -1 3 317.736 2.257 20 30 DEEDHM N#CC1(C(=O)OCc2cc(Cl)cc(-c3nn[n-]n3)c2)CCC1 ZINC001592667104 1076948508 /nfs/dbraw/zinc/94/85/08/1076948508.db2.gz PAPFGBNCOUGHPW-UHFFFAOYSA-N -1 3 317.736 2.257 20 30 DEEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccccc1 ZINC001592670360 1076949471 /nfs/dbraw/zinc/94/94/71/1076949471.db2.gz YNULYGIDHQZXOJ-CQSZACIVSA-N -1 3 318.340 2.188 20 30 DEEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccccc1 ZINC001592670360 1076949474 /nfs/dbraw/zinc/94/94/74/1076949474.db2.gz YNULYGIDHQZXOJ-CQSZACIVSA-N -1 3 318.340 2.188 20 30 DEEDHM N#C[C@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001592672674 1076950096 /nfs/dbraw/zinc/95/00/96/1076950096.db2.gz MGFXVDWHARPCAZ-SNVBAGLBSA-N -1 3 302.769 2.256 20 30 DEEDHM N#C[C@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001592672674 1076950100 /nfs/dbraw/zinc/95/01/00/1076950100.db2.gz MGFXVDWHARPCAZ-SNVBAGLBSA-N -1 3 302.769 2.256 20 30 DEEDHM N#CCCCC(=O)N(c1ccc(-c2nnn[n-]2)cc1)C1CCC1 ZINC001592674369 1076950330 /nfs/dbraw/zinc/95/03/30/1076950330.db2.gz BUJVHTVTXRMSOP-UHFFFAOYSA-N -1 3 310.361 2.446 20 30 DEEDHM N#CCCCC(=O)N(c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC001592674369 1076950335 /nfs/dbraw/zinc/95/03/35/1076950335.db2.gz BUJVHTVTXRMSOP-UHFFFAOYSA-N -1 3 310.361 2.446 20 30 DEEDHM N#CCC1(Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)CC1 ZINC001592675464 1076950376 /nfs/dbraw/zinc/95/03/76/1076950376.db2.gz PJSSGHDFUADXHD-UHFFFAOYSA-N -1 3 305.345 2.424 20 30 DEEDHM N#CCC1(Cn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)CC1 ZINC001592675464 1076950378 /nfs/dbraw/zinc/95/03/78/1076950378.db2.gz PJSSGHDFUADXHD-UHFFFAOYSA-N -1 3 305.345 2.424 20 30 DEEDHM N#Cc1c(F)cccc1N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592686002 1076951766 /nfs/dbraw/zinc/95/17/66/1076951766.db2.gz DNTQVKBATXQTSG-CYBMUJFWSA-N -1 3 320.331 2.457 20 30 DEEDHM N#Cc1c(F)cccc1N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592686002 1076951770 /nfs/dbraw/zinc/95/17/70/1076951770.db2.gz DNTQVKBATXQTSG-CYBMUJFWSA-N -1 3 320.331 2.457 20 30 DEEDHM N#Cc1c(NCc2ccc(-c3nnn[n-]3)cc2F)n[nH]c1C1CC1 ZINC001592684471 1076952081 /nfs/dbraw/zinc/95/20/81/1076952081.db2.gz RSWXYFFBJBQFDE-UHFFFAOYSA-N -1 3 324.323 2.090 20 30 DEEDHM N#Cc1c(NCc2ccc(-c3nn[n-]n3)cc2F)n[nH]c1C1CC1 ZINC001592684471 1076952085 /nfs/dbraw/zinc/95/20/85/1076952085.db2.gz RSWXYFFBJBQFDE-UHFFFAOYSA-N -1 3 324.323 2.090 20 30 DEEDHM N#CCOc1ccc(NCc2ccc(-c3nnn[n-]3)s2)cc1 ZINC001592680768 1076952216 /nfs/dbraw/zinc/95/22/16/1076952216.db2.gz YYFLFISMDPKIMV-UHFFFAOYSA-N -1 3 312.358 2.443 20 30 DEEDHM N#CCOc1ccc(NCc2csc(-c3nnn[n-]3)c2)cc1 ZINC001592680557 1076952511 /nfs/dbraw/zinc/95/25/11/1076952511.db2.gz UBQVWJKEUODMMX-UHFFFAOYSA-N -1 3 312.358 2.443 20 30 DEEDHM N#Cc1ccc(NC(=O)C[C@@H]2C[C@H]2C2CC2)cc1-c1nnn[n-]1 ZINC001592695272 1076953301 /nfs/dbraw/zinc/95/33/01/1076953301.db2.gz NLJPPPZEGZXTQP-AAEUAGOBSA-N -1 3 308.345 2.113 20 30 DEEDHM N#Cc1ccc(NC(=O)C[C@@H]2C[C@H]2C2CC2)cc1-c1nn[n-]n1 ZINC001592695272 1076953305 /nfs/dbraw/zinc/95/33/05/1076953305.db2.gz NLJPPPZEGZXTQP-AAEUAGOBSA-N -1 3 308.345 2.113 20 30 DEEDHM N#Cc1ccc(CC(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC001592691894 1076953613 /nfs/dbraw/zinc/95/36/13/1076953613.db2.gz IEPKWFDPQJRJGZ-UHFFFAOYSA-N -1 3 319.324 2.024 20 30 DEEDHM N#Cc1ccc(CC(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC001592691894 1076953620 /nfs/dbraw/zinc/95/36/20/1076953620.db2.gz IEPKWFDPQJRJGZ-UHFFFAOYSA-N -1 3 319.324 2.024 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1cc2n(n1)CCCC2 ZINC001592699859 1076955832 /nfs/dbraw/zinc/95/58/32/1076955832.db2.gz PVJXCLUQNIUIDM-UHFFFAOYSA-N -1 3 306.333 2.015 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1cc2n(n1)CCCC2 ZINC001592699859 1076955835 /nfs/dbraw/zinc/95/58/35/1076955835.db2.gz PVJXCLUQNIUIDM-UHFFFAOYSA-N -1 3 306.333 2.015 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CC1(Cl)Cl ZINC001592699881 1076955992 /nfs/dbraw/zinc/95/59/92/1076955992.db2.gz QRKVQMGKRVQLPJ-QMMMGPOBSA-N -1 3 309.160 2.344 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CC1(Cl)Cl ZINC001592699881 1076955995 /nfs/dbraw/zinc/95/59/95/1076955995.db2.gz QRKVQMGKRVQLPJ-QMMMGPOBSA-N -1 3 309.160 2.344 20 30 DEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccnc(F)c1 ZINC001592791529 1076959706 /nfs/dbraw/zinc/95/97/06/1076959706.db2.gz MJFCIFAGXAVTJF-ONEGZZNKSA-N -1 3 313.267 2.436 20 30 DEEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccnc(F)c1 ZINC001592791529 1076959708 /nfs/dbraw/zinc/95/97/08/1076959708.db2.gz MJFCIFAGXAVTJF-ONEGZZNKSA-N -1 3 313.267 2.436 20 30 DEEDHM C#Cc1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001597931013 1077104671 /nfs/dbraw/zinc/10/46/71/1077104671.db2.gz 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C=CCN(C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823903993 608271782 /nfs/dbraw/zinc/27/17/82/608271782.db2.gz QNQMCSVBHPFRPB-LLVKDONJSA-N -1 3 312.377 2.288 20 30 DEEDHM C=CCN(C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823903993 608271784 /nfs/dbraw/zinc/27/17/84/608271784.db2.gz QNQMCSVBHPFRPB-LLVKDONJSA-N -1 3 312.377 2.288 20 30 DEEDHM C=CCC[C@@H](C)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000823893942 608275145 /nfs/dbraw/zinc/27/51/45/608275145.db2.gz BULQTQMGQHNODS-LLVKDONJSA-N -1 3 302.334 2.143 20 30 DEEDHM C=CCC[C@@H](C)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000823893942 608275146 /nfs/dbraw/zinc/27/51/46/608275146.db2.gz BULQTQMGQHNODS-LLVKDONJSA-N -1 3 302.334 2.143 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)c(NCc2cc(C#N)ccc2F)n1 ZINC000826276804 608291290 /nfs/dbraw/zinc/29/12/90/608291290.db2.gz XYNOQGKYWFTMKP-UHFFFAOYSA-N -1 3 309.308 2.193 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)c(NCc2cc(C#N)ccc2F)n1 ZINC000826276804 608291291 /nfs/dbraw/zinc/29/12/91/608291291.db2.gz 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C=CCOc1cccnc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001624740316 1078229089 /nfs/dbraw/zinc/22/90/89/1078229089.db2.gz PSSXPYAGRFEPPR-UHFFFAOYSA-N -1 3 310.313 2.481 20 30 DEEDHM C[C@@H](CN(C)CC#Cc1ccccc1)NC(=O)c1ccccc1[O-] ZINC001498227379 1066574209 /nfs/dbraw/zinc/57/42/09/1066574209.db2.gz MKEHHMZOMACIHF-INIZCTEOSA-N -1 3 322.408 2.494 20 30 DEEDHM Cc1cc(C#N)cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001580768979 1075990599 /nfs/dbraw/zinc/99/05/99/1075990599.db2.gz VAIRAPMWKFOHFL-UHFFFAOYSA-N -1 3 318.340 2.228 20 30 DEEDHM Cc1cc(C#N)cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001580768979 1075990605 /nfs/dbraw/zinc/99/06/05/1075990605.db2.gz VAIRAPMWKFOHFL-UHFFFAOYSA-N -1 3 318.340 2.228 20 30 DEEDHM N#Cc1cc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)ccc1C1CC1 ZINC001581866657 1076104945 /nfs/dbraw/zinc/10/49/45/1076104945.db2.gz OQUPHGJIYDJGON-UHFFFAOYSA-N -1 3 319.328 2.196 20 30 DEEDHM N#Cc1cc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)ccc1C1CC1 ZINC001581866657 1076104949 /nfs/dbraw/zinc/10/49/49/1076104949.db2.gz 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DEEDHM C#CCN(Cc1ccccc1)c1ncc(-c2nn[n-]n2)cc1F ZINC001588352225 1076443611 /nfs/dbraw/zinc/44/36/11/1076443611.db2.gz VTMSKMDJTOSHPM-UHFFFAOYSA-N -1 3 308.320 2.041 20 30 DEEDHM C#Cc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)cc1 ZINC001588373615 1076444788 /nfs/dbraw/zinc/44/47/88/1076444788.db2.gz OQKHDEYMLPSBNB-UHFFFAOYSA-N -1 3 303.325 2.409 20 30 DEEDHM C#Cc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)cc1 ZINC001588373615 1076444789 /nfs/dbraw/zinc/44/47/89/1076444789.db2.gz OQKHDEYMLPSBNB-UHFFFAOYSA-N -1 3 303.325 2.409 20 30 DEEDHM C=C(C)[C@H](C)OC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588401920 1076446251 /nfs/dbraw/zinc/44/62/51/1076446251.db2.gz ADBXCOPLSNZSNH-NSHDSACASA-N -1 3 324.344 2.174 20 30 DEEDHM C=C(C)[C@H](C)OC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588401920 1076446253 /nfs/dbraw/zinc/44/62/53/1076446253.db2.gz ADBXCOPLSNZSNH-NSHDSACASA-N -1 3 324.344 2.174 20 30 DEEDHM C=C(C)C(C)(C)C(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588396880 1076446439 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C=CCN(C(=O)c1ccc(-c2nn[n-]n2)n1C)c1ccccc1 ZINC001588626387 1076458579 /nfs/dbraw/zinc/45/85/79/1076458579.db2.gz YZLGKKVHRLYHHL-UHFFFAOYSA-N -1 3 308.345 2.038 20 30 DEEDHM C=CCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001588625727 1076458869 /nfs/dbraw/zinc/45/88/69/1076458869.db2.gz NTYOVHFFBKNWMK-UHFFFAOYSA-N -1 3 304.329 2.434 20 30 DEEDHM C=CCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1)C(C)C ZINC001588625727 1076458873 /nfs/dbraw/zinc/45/88/73/1076458873.db2.gz NTYOVHFFBKNWMK-UHFFFAOYSA-N -1 3 304.329 2.434 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1[nH]ccc1C ZINC001588648943 1076459535 /nfs/dbraw/zinc/45/95/35/1076459535.db2.gz DYNRUNYAOLLOTA-UHFFFAOYSA-N -1 3 322.372 2.332 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1[nH]ccc1C ZINC001588648943 1076459538 /nfs/dbraw/zinc/45/95/38/1076459538.db2.gz DYNRUNYAOLLOTA-UHFFFAOYSA-N -1 3 322.372 2.332 20 30 DEEDHM CC#CCCOc1nc(C)c(-c2nnn[n-]2)cc1Br ZINC001588746321 1076461845 /nfs/dbraw/zinc/46/18/45/1076461845.db2.gz 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DEEDHM CN(C(=O)Nc1sccc1-c1nn[n-]n1)[C@@H]1CCC[C@H]1C#N ZINC001590985376 1076701283 /nfs/dbraw/zinc/70/12/83/1076701283.db2.gz NJWNJTFHZLIGQW-WCBMZHEXSA-N -1 3 317.378 2.084 20 30 DEEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1c(C#N)cccc1C#N ZINC001591145556 1076714276 /nfs/dbraw/zinc/71/42/76/1076714276.db2.gz ZVXZJQLSDUSNSZ-UHFFFAOYSA-N -1 3 315.340 2.246 20 30 DEEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1c(C#N)cccc1C#N ZINC001591145556 1076714280 /nfs/dbraw/zinc/71/42/80/1076714280.db2.gz ZVXZJQLSDUSNSZ-UHFFFAOYSA-N -1 3 315.340 2.246 20 30 DEEDHM COc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1C ZINC001591522372 1076753921 /nfs/dbraw/zinc/75/39/21/1076753921.db2.gz GHRIJJSZFUINBZ-UHFFFAOYSA-N -1 3 322.372 2.307 20 30 DEEDHM COc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1C ZINC001591522372 1076753924 /nfs/dbraw/zinc/75/39/24/1076753924.db2.gz GHRIJJSZFUINBZ-UHFFFAOYSA-N -1 3 322.372 2.307 20 30 DEEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001591523231 1076754209 /nfs/dbraw/zinc/75/42/09/1076754209.db2.gz 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/nfs/dbraw/zinc/76/73/40/1076767340.db2.gz VKZNMBNGPAMEQN-UHFFFAOYSA-N -1 3 320.356 2.383 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)N[C@H](C#N)CC(C)C ZINC001591840828 1076791714 /nfs/dbraw/zinc/79/17/14/1076791714.db2.gz TYSJAILTWZIPKZ-ZDUSSCGKSA-N -1 3 312.377 2.152 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)N[C@H](C#N)CC(C)C ZINC001591840828 1076791719 /nfs/dbraw/zinc/79/17/19/1076791719.db2.gz TYSJAILTWZIPKZ-ZDUSSCGKSA-N -1 3 312.377 2.152 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CN[C@H](CC#N)C(F)(F)F ZINC001591852435 1076793936 /nfs/dbraw/zinc/79/39/36/1076793936.db2.gz YMNMJFDBMGRISS-GFCCVEGCSA-N -1 3 324.310 2.418 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN[C@H](CC#N)C(F)(F)F ZINC001591852435 1076793939 /nfs/dbraw/zinc/79/39/39/1076793939.db2.gz YMNMJFDBMGRISS-GFCCVEGCSA-N -1 3 324.310 2.418 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(N(C)Cc2ccc(C#N)cc2)n1 ZINC001591854156 1076795334 /nfs/dbraw/zinc/79/53/34/1076795334.db2.gz CASCXTLUWFFFPA-UHFFFAOYSA-N -1 3 305.345 2.078 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(N(C)Cc2ccc(C#N)cc2)n1 ZINC001591854156 1076795337 /nfs/dbraw/zinc/79/53/37/1076795337.db2.gz CASCXTLUWFFFPA-UHFFFAOYSA-N -1 3 305.345 2.078 20 30 DEEDHM Cc1cc(OC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1C#N ZINC001592058577 1076841873 /nfs/dbraw/zinc/84/18/73/1076841873.db2.gz WOEGUPMRDUYISR-UHFFFAOYSA-N -1 3 305.297 2.266 20 30 DEEDHM Cc1cc(OC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1C#N ZINC001592058577 1076841876 /nfs/dbraw/zinc/84/18/76/1076841876.db2.gz WOEGUPMRDUYISR-UHFFFAOYSA-N -1 3 305.297 2.266 20 30 DEEDHM Cc1ccnc([C@H](C)Nc2c(C#N)cccc2-c2nnn[n-]2)n1 ZINC001592271382 1076887292 /nfs/dbraw/zinc/88/72/92/1076887292.db2.gz AWOUSDUAUTZJRL-JTQLQIEISA-N -1 3 306.333 2.010 20 30 DEEDHM Cc1ccnc([C@H](C)Nc2c(C#N)cccc2-c2nn[n-]n2)n1 ZINC001592271382 1076887301 /nfs/dbraw/zinc/88/73/01/1076887301.db2.gz AWOUSDUAUTZJRL-JTQLQIEISA-N -1 3 306.333 2.010 20 30 DEEDHM Cc1csc(NC(=O)c2sccc2-c2nnn[n-]2)c1C#N ZINC001592320491 1076896374 /nfs/dbraw/zinc/89/63/74/1076896374.db2.gz 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316.368 2.344 20 30 DEEDHM N#Cc1cccc2c1CCN2CCc1ccc(-c2nn[n-]n2)cc1 ZINC001592703345 1076955253 /nfs/dbraw/zinc/95/52/53/1076955253.db2.gz PZOIDLDNIMACPG-UHFFFAOYSA-N -1 3 316.368 2.344 20 30 DEEDHM O=C(C=Cc1ccc(F)nc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001592792701 1076960257 /nfs/dbraw/zinc/96/02/57/1076960257.db2.gz RXWCKAXDXYXHRP-KTAJNNJTSA-N -1 3 313.267 2.436 20 30 DEEDHM O=C(C=Cc1ccc(F)nc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001592792701 1076960258 /nfs/dbraw/zinc/96/02/58/1076960258.db2.gz RXWCKAXDXYXHRP-KTAJNNJTSA-N -1 3 313.267 2.436 20 30 DEEDHM N#CC(C(=O)c1c[nH]c(C(=O)[O-])c1)c1cnc2ccccc2n1 ZINC001601047577 1077325677 /nfs/dbraw/zinc/32/56/77/1077325677.db2.gz VDRQUSXYNLWVIZ-SNVBAGLBSA-N -1 3 306.281 2.146 20 30 DEEDHM N#Cc1c(CN2CCC[C@@H]2[C@H]2CCC[C@H]2O)cccc1C(=O)[O-] ZINC001601081395 1077333151 /nfs/dbraw/zinc/33/31/51/1077333151.db2.gz GDPFVWNSDWTIHD-DJIMGWMZSA-N -1 3 314.385 2.382 20 30 DEEDHM N#Cc1c(CN2CC[C@@H]([C@@H]3CCOC3)C2)cccc1C(=O)[O-] ZINC001601081545 1077333686 /nfs/dbraw/zinc/33/36/86/1077333686.db2.gz MAGJMARWAZWPMU-TZMCWYRMSA-N -1 3 300.358 2.115 20 30 DEEDHM N#Cc1ccc([C@H](O)CN2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001601095905 1077337378 /nfs/dbraw/zinc/33/73/78/1077337378.db2.gz HIYAWZABQZWYGD-GOSISDBHSA-N -1 3 322.364 2.348 20 30 DEEDHM N#Cc1cnc(Cl)c(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC001601130618 1077346389 /nfs/dbraw/zinc/34/63/89/1077346389.db2.gz RZRWKXYFNITILN-LBPRGKRZSA-N -1 3 305.765 2.293 20 30 DEEDHM C#C[C@@H](C)NC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609018700 1077742979 /nfs/dbraw/zinc/74/29/79/1077742979.db2.gz DGINBWIBYYMHFB-SSDOTTSWSA-N -1 3 324.266 2.029 20 30 DEEDHM C#C[C@@H](C)NC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609018700 1077742981 /nfs/dbraw/zinc/74/29/81/1077742981.db2.gz DGINBWIBYYMHFB-SSDOTTSWSA-N -1 3 324.266 2.029 20 30 DEEDHM C=CCC(F)(F)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC001609053112 1077749719 /nfs/dbraw/zinc/74/97/19/1077749719.db2.gz CYLCJNYJZZHVAB-UHFFFAOYSA-N -1 3 324.287 2.000 20 30 DEEDHM C=CCC(F)(F)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC001609053112 1077749723 /nfs/dbraw/zinc/74/97/23/1077749723.db2.gz CYLCJNYJZZHVAB-UHFFFAOYSA-N -1 3 324.287 2.000 20 30 DEEDHM C=CC[C@H](CO)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609053441 1077750061 /nfs/dbraw/zinc/75/00/61/1077750061.db2.gz JWCTUSKUWLDLMW-SECBINFHSA-N -1 3 313.283 2.234 20 30 DEEDHM C=CC[C@H](CO)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609053441 1077750066 /nfs/dbraw/zinc/75/00/66/1077750066.db2.gz JWCTUSKUWLDLMW-SECBINFHSA-N -1 3 313.283 2.234 20 30 DEEDHM C=CC1CCN(C(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001609052583 1077750135 /nfs/dbraw/zinc/75/01/35/1077750135.db2.gz IKNGKZCXADLIKI-UHFFFAOYSA-N -1 3 301.325 2.044 20 30 DEEDHM C=CC1CCN(C(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001609052583 1077750137 /nfs/dbraw/zinc/75/01/37/1077750137.db2.gz IKNGKZCXADLIKI-UHFFFAOYSA-N -1 3 301.325 2.044 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C(C)(F)F ZINC001609056481 1077751183 /nfs/dbraw/zinc/75/11/83/1077751183.db2.gz LUGBRYCXOWKDPN-UHFFFAOYSA-N -1 3 307.304 2.037 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C(C)(F)F ZINC001609056481 1077751187 /nfs/dbraw/zinc/75/11/87/1077751187.db2.gz LUGBRYCXOWKDPN-UHFFFAOYSA-N -1 3 307.304 2.037 20 30 DEEDHM C=CCCO[C@H](C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609055103 1077751496 /nfs/dbraw/zinc/75/14/96/1077751496.db2.gz QIQGTCQJEYFIKI-VXGBXAGGSA-N -1 3 315.377 2.025 20 30 DEEDHM C=CCCO[C@H](C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609055103 1077751500 /nfs/dbraw/zinc/75/15/00/1077751500.db2.gz QIQGTCQJEYFIKI-VXGBXAGGSA-N -1 3 315.377 2.025 20 30 DEEDHM COC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)o1 ZINC001609302779 1077827258 /nfs/dbraw/zinc/82/72/58/1077827258.db2.gz HFEFUAZZAQUTCK-SOFGYWHQSA-N -1 3 324.296 2.142 20 30 DEEDHM COC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)o1 ZINC001609302779 1077827263 /nfs/dbraw/zinc/82/72/63/1077827263.db2.gz HFEFUAZZAQUTCK-SOFGYWHQSA-N -1 3 324.296 2.142 20 30 DEEDHM COc1ccc(C#N)cc1NCc1ccc(-c2nnn[n-]2)cc1 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/nfs/dbraw/zinc/44/31/92/1076443192.db2.gz VBIVTUBQCNUYCP-UHFFFAOYSA-N -1 3 322.347 2.036 20 30 DEEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1ccnn1CC1CCC1 ZINC001588381673 1076445133 /nfs/dbraw/zinc/44/51/33/1076445133.db2.gz OQUDASXMLCMHJV-UHFFFAOYSA-N -1 3 322.376 2.309 20 30 DEEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1ccnn1CC1CCC1 ZINC001588381673 1076445138 /nfs/dbraw/zinc/44/51/38/1076445138.db2.gz OQUDASXMLCMHJV-UHFFFAOYSA-N -1 3 322.376 2.309 20 30 DEEDHM C=C(C)[C@H](CC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1)OCC ZINC001588401731 1076446305 /nfs/dbraw/zinc/44/63/05/1076446305.db2.gz XUKFXYAKTUGIIL-AWEZNQCLSA-N -1 3 315.377 2.485 20 30 DEEDHM C=C(C)[C@H](CC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1)OCC ZINC001588401731 1076446306 /nfs/dbraw/zinc/44/63/06/1076446306.db2.gz XUKFXYAKTUGIIL-AWEZNQCLSA-N -1 3 315.377 2.485 20 30 DEEDHM C=C(C)C[C@@H](C)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588407152 1076446537 /nfs/dbraw/zinc/44/65/37/1076446537.db2.gz ZUNUBEIYAJGIKT-SNVBAGLBSA-N -1 3 303.341 2.224 20 30 DEEDHM C=C(C)C[C@@H](C)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588407152 1076446540 /nfs/dbraw/zinc/44/65/40/1076446540.db2.gz ZUNUBEIYAJGIKT-SNVBAGLBSA-N -1 3 303.341 2.224 20 30 DEEDHM C=C(C)CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588430885 1076448251 /nfs/dbraw/zinc/44/82/51/1076448251.db2.gz UOMZRFGELDPTSY-UHFFFAOYSA-N -1 3 308.798 2.383 20 30 DEEDHM C=C(C)CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588430885 1076448253 /nfs/dbraw/zinc/44/82/53/1076448253.db2.gz UOMZRFGELDPTSY-UHFFFAOYSA-N -1 3 308.798 2.383 20 30 DEEDHM C=C[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588516091 1076451334 /nfs/dbraw/zinc/45/13/34/1076451334.db2.gz QIMFQJDNZCWKQE-SNVBAGLBSA-N -1 3 302.334 2.142 20 30 DEEDHM C=C[C@@H](C)OC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588516091 1076451338 /nfs/dbraw/zinc/45/13/38/1076451338.db2.gz QIMFQJDNZCWKQE-SNVBAGLBSA-N -1 3 302.334 2.142 20 30 DEEDHM C=C[C@H](C)OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001588516309 1076451506 /nfs/dbraw/zinc/45/15/06/1076451506.db2.gz VFOTZXHHAUSODO-JTQLQIEISA-N -1 3 304.375 2.218 20 30 DEEDHM C=C[C@H](C)OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001588516309 1076451509 /nfs/dbraw/zinc/45/15/09/1076451509.db2.gz VFOTZXHHAUSODO-JTQLQIEISA-N -1 3 304.375 2.218 20 30 DEEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588558839 1076453497 /nfs/dbraw/zinc/45/34/97/1076453497.db2.gz DSUOTTURVKIBAP-VXGBXAGGSA-N -1 3 314.393 2.070 20 30 DEEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588558839 1076453501 /nfs/dbraw/zinc/45/35/01/1076453501.db2.gz DSUOTTURVKIBAP-VXGBXAGGSA-N -1 3 314.393 2.070 20 30 DEEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588558807 1076453774 /nfs/dbraw/zinc/45/37/74/1076453774.db2.gz DLXGPLOFBRMJAA-WCQYABFASA-N -1 3 312.377 2.126 20 30 DEEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588558807 1076453777 /nfs/dbraw/zinc/45/37/77/1076453777.db2.gz DLXGPLOFBRMJAA-WCQYABFASA-N -1 3 312.377 2.126 20 30 DEEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588558811 1076453975 /nfs/dbraw/zinc/45/39/75/1076453975.db2.gz DMXHRCULBIUUAH-CMPLNLGQSA-N -1 3 300.366 2.060 20 30 DEEDHM C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588558811 1076453976 /nfs/dbraw/zinc/45/39/76/1076453976.db2.gz DMXHRCULBIUUAH-CMPLNLGQSA-N -1 3 300.366 2.060 20 30 DEEDHM C=CCCCCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588596342 1076456045 /nfs/dbraw/zinc/45/60/45/1076456045.db2.gz OATMHEWYKNMYIY-UHFFFAOYSA-N -1 3 303.326 2.328 20 30 DEEDHM C=CCCCCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588596342 1076456048 /nfs/dbraw/zinc/45/60/48/1076456048.db2.gz OATMHEWYKNMYIY-UHFFFAOYSA-N -1 3 303.326 2.328 20 30 DEEDHM C=CCN(CCC#N)CCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588632480 1076457998 /nfs/dbraw/zinc/45/79/98/1076457998.db2.gz SLHLPMFCOBJDDU-UHFFFAOYSA-N -1 3 312.377 2.037 20 30 DEEDHM C=CCN(CC=C)C(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001588632481 1076458324 /nfs/dbraw/zinc/45/83/24/1076458324.db2.gz ZNBUTJRZAJDUAY-UHFFFAOYSA-N -1 3 308.345 2.162 20 30 DEEDHM C=CCN(C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1)C1CC1 ZINC001588626147 1076458489 /nfs/dbraw/zinc/45/84/89/1076458489.db2.gz URNNZBCPSCMESW-UHFFFAOYSA-N -1 3 302.313 2.188 20 30 DEEDHM C=CCN(C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1)C1CC1 ZINC001588626147 1076458493 /nfs/dbraw/zinc/45/84/93/1076458493.db2.gz URNNZBCPSCMESW-UHFFFAOYSA-N -1 3 302.313 2.188 20 30 DEEDHM C=CCN(C(=O)NCc1ccc(-c2nnn[n-]2)s1)C(C)C ZINC001588625729 1076458663 /nfs/dbraw/zinc/45/86/63/1076458663.db2.gz NWABIZNRSUQIAX-UHFFFAOYSA-N -1 3 306.395 2.034 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](F)CC ZINC001588639570 1076459443 /nfs/dbraw/zinc/45/94/43/1076459443.db2.gz UHZDHBNVRSIKRS-ZDUSSCGKSA-N -1 3 303.341 2.129 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](F)CC ZINC001588639570 1076459446 /nfs/dbraw/zinc/45/94/46/1076459446.db2.gz UHZDHBNVRSIKRS-ZDUSSCGKSA-N -1 3 303.341 2.129 20 30 DEEDHM C=CCSCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588688669 1076461024 /nfs/dbraw/zinc/46/10/24/1076461024.db2.gz NHVJRYXOAQLXKE-UHFFFAOYSA-N -1 3 322.369 2.047 20 30 DEEDHM C=CCSCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588688669 1076461026 /nfs/dbraw/zinc/46/10/26/1076461026.db2.gz NHVJRYXOAQLXKE-UHFFFAOYSA-N -1 3 322.369 2.047 20 30 DEEDHM CC#CCCCC(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588737984 1076461382 /nfs/dbraw/zinc/46/13/82/1076461382.db2.gz PPXHGRANOAWLAX-UHFFFAOYSA-N -1 3 309.373 2.340 20 30 DEEDHM CC#CCCCC(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588737984 1076461387 /nfs/dbraw/zinc/46/13/87/1076461387.db2.gz PPXHGRANOAWLAX-UHFFFAOYSA-N -1 3 309.373 2.340 20 30 DEEDHM CC(N=Nc1ncncc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC001588781108 1076465046 /nfs/dbraw/zinc/46/50/46/1076465046.db2.gz FBASNSRSPPNWFB-UHFFFAOYSA-N -1 3 314.740 2.146 20 30 DEEDHM CC(N=Nc1ncncc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC001588781108 1076465048 /nfs/dbraw/zinc/46/50/48/1076465048.db2.gz FBASNSRSPPNWFB-UHFFFAOYSA-N -1 3 314.740 2.146 20 30 DEEDHM CC(C)(C#N)CC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001589033859 1076472191 /nfs/dbraw/zinc/47/21/91/1076472191.db2.gz LHPTVIYWDNTIOR-UHFFFAOYSA-N -1 3 306.276 2.023 20 30 DEEDHM CC(C)(C#N)CC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001589033859 1076472192 /nfs/dbraw/zinc/47/21/92/1076472192.db2.gz LHPTVIYWDNTIOR-UHFFFAOYSA-N -1 3 306.276 2.023 20 30 DEEDHM CC(C)[C@H]1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)CS1 ZINC001589500164 1076494107 /nfs/dbraw/zinc/49/41/07/1076494107.db2.gz XONBDSXIISTAPF-CQSZACIVSA-N -1 3 316.434 2.474 20 30 DEEDHM CC(C)[C@H]1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)CS1 ZINC001589500164 1076494110 /nfs/dbraw/zinc/49/41/10/1076494110.db2.gz XONBDSXIISTAPF-CQSZACIVSA-N -1 3 316.434 2.474 20 30 DEEDHM CC(C)[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CCS1 ZINC001589518307 1076496206 /nfs/dbraw/zinc/49/62/06/1076496206.db2.gz SXIFCEYPBVFBPH-ZDUSSCGKSA-N -1 3 314.418 2.316 20 30 DEEDHM CC(C)[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CCS1 ZINC001589518307 1076496208 /nfs/dbraw/zinc/49/62/08/1076496208.db2.gz SXIFCEYPBVFBPH-ZDUSSCGKSA-N -1 3 314.418 2.316 20 30 DEEDHM CC(C)N(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)[C@@H](C)CC#N ZINC001589786709 1076516251 /nfs/dbraw/zinc/51/62/51/1076516251.db2.gz KBPJNMJYZVBUOC-LBPRGKRZSA-N -1 3 312.377 2.153 20 30 DEEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)[C@@H](C)CC#N ZINC001589786709 1076516254 /nfs/dbraw/zinc/51/62/54/1076516254.db2.gz KBPJNMJYZVBUOC-LBPRGKRZSA-N -1 3 312.377 2.153 20 30 DEEDHM C[C@H](CSc1nc(N)c(-c2nnn[n-]2)cc1C#N)C(C)(C)C ZINC001589892895 1076525777 /nfs/dbraw/zinc/52/57/77/1076525777.db2.gz ZWZUHTMHHHUOBA-MRVPVSSYSA-N -1 3 317.422 2.490 20 30 DEEDHM C[C@H](CSc1nc(N)c(-c2nn[n-]n2)cc1C#N)C(C)(C)C ZINC001589892895 1076525782 /nfs/dbraw/zinc/52/57/82/1076525782.db2.gz ZWZUHTMHHHUOBA-MRVPVSSYSA-N -1 3 317.422 2.490 20 30 DEEDHM C[C@H](Nc1ncc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC001589988465 1076543283 /nfs/dbraw/zinc/54/32/83/1076543283.db2.gz NSFJJHKTZZWQHH-VIFPVBQESA-N -1 3 309.308 2.446 20 30 DEEDHM C[C@H](Nc1ncc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC001589988465 1076543287 /nfs/dbraw/zinc/54/32/87/1076543287.db2.gz NSFJJHKTZZWQHH-VIFPVBQESA-N -1 3 309.308 2.446 20 30 DEEDHM CC1(C)CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@@H]1C#N ZINC001590095905 1076563239 /nfs/dbraw/zinc/56/32/39/1076563239.db2.gz CNLNIFUNSOSXST-LLVKDONJSA-N -1 3 316.390 2.083 20 30 DEEDHM CC1(C)CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@@H]1C#N ZINC001590095905 1076563241 /nfs/dbraw/zinc/56/32/41/1076563241.db2.gz CNLNIFUNSOSXST-LLVKDONJSA-N -1 3 316.390 2.083 20 30 DEEDHM CC[C@H](C#N)C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001590367163 1076615967 /nfs/dbraw/zinc/61/59/67/1076615967.db2.gz FKPDYZJCFKNLNG-SNVBAGLBSA-N -1 3 314.349 2.142 20 30 DEEDHM CC[C@H](C#N)C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001590367163 1076615970 /nfs/dbraw/zinc/61/59/70/1076615970.db2.gz FKPDYZJCFKNLNG-SNVBAGLBSA-N -1 3 314.349 2.142 20 30 DEEDHM CC[C@@](C)(C#N)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001590372648 1076616704 /nfs/dbraw/zinc/61/67/04/1076616704.db2.gz YZKTXBZHMCVMET-AWEZNQCLSA-N -1 3 302.313 2.193 20 30 DEEDHM CC[C@@](C)(C#N)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001590372648 1076616708 /nfs/dbraw/zinc/61/67/08/1076616708.db2.gz YZKTXBZHMCVMET-AWEZNQCLSA-N -1 3 302.313 2.193 20 30 DEEDHM CCN(C(=O)CCCC#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590669200 1076665825 /nfs/dbraw/zinc/66/58/25/1076665825.db2.gz GCFDKVDEIKYTGF-GFCCVEGCSA-N -1 3 312.377 2.470 20 30 DEEDHM CCN(C(=O)CCCC#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590669200 1076665827 /nfs/dbraw/zinc/66/58/27/1076665827.db2.gz GCFDKVDEIKYTGF-GFCCVEGCSA-N -1 3 312.377 2.470 20 30 DEEDHM CCOC1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001590793169 1076677592 /nfs/dbraw/zinc/67/75/92/1076677592.db2.gz CYKZFOUFERIECB-UHFFFAOYSA-N -1 3 314.393 2.291 20 30 DEEDHM CCOC1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590793169 1076677596 /nfs/dbraw/zinc/67/75/96/1076677596.db2.gz CYKZFOUFERIECB-UHFFFAOYSA-N -1 3 314.393 2.291 20 30 DEEDHM COCc1cc(-c2nn[n-]n2)ccc1N1CCC[C@](C)(C#N)C1 ZINC001591454982 1076745010 /nfs/dbraw/zinc/74/50/10/1076745010.db2.gz LFSMKUHJIOEANZ-MRXNPFEDSA-N -1 3 312.377 2.143 20 30 DEEDHM COc1cc(CNCC2(C#N)CCCC2)ccc1-c1nnn[n-]1 ZINC001591537280 1076755168 /nfs/dbraw/zinc/75/51/68/1076755168.db2.gz PXWORICRBRPPGB-UHFFFAOYSA-N -1 3 312.377 2.049 20 30 DEEDHM COc1cc(CNCC2(C#N)CCCC2)ccc1-c1nn[n-]n1 ZINC001591537280 1076755171 /nfs/dbraw/zinc/75/51/71/1076755171.db2.gz PXWORICRBRPPGB-UHFFFAOYSA-N -1 3 312.377 2.049 20 30 DEEDHM COc1cc(OCc2ccccc2-c2nnn[n-]2)ccc1C#N ZINC001591553012 1076757676 /nfs/dbraw/zinc/75/76/76/1076757676.db2.gz QAAGQLREXFEHCG-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM COc1cc(OCc2ccccc2-c2nn[n-]n2)ccc1C#N ZINC001591553012 1076757679 /nfs/dbraw/zinc/75/76/79/1076757679.db2.gz QAAGQLREXFEHCG-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM Cc1cc(F)c(-c2nnn[n-]2)c(N2CCC(CC#N)CC2)c1 ZINC001591981023 1076826664 /nfs/dbraw/zinc/82/66/64/1076826664.db2.gz VRYIBPITRKYLGV-UHFFFAOYSA-N -1 3 300.341 2.444 20 30 DEEDHM Cc1cc(F)c(-c2nn[n-]n2)c(N2CCC(CC#N)CC2)c1 ZINC001591981023 1076826667 /nfs/dbraw/zinc/82/66/67/1076826667.db2.gz VRYIBPITRKYLGV-UHFFFAOYSA-N -1 3 300.341 2.444 20 30 DEEDHM Cc1cc(NCCC#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC001592047353 1076837782 /nfs/dbraw/zinc/83/77/82/1076837782.db2.gz RPKRJTVLNHBPSW-UHFFFAOYSA-N -1 3 318.344 2.302 20 30 DEEDHM Cc1cc(NCCC#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC001592047353 1076837788 /nfs/dbraw/zinc/83/77/88/1076837788.db2.gz RPKRJTVLNHBPSW-UHFFFAOYSA-N -1 3 318.344 2.302 20 30 DEEDHM Cc1ccc(C#N)nc1N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592113083 1076851005 /nfs/dbraw/zinc/85/10/05/1076851005.db2.gz DULXOEHWWJWLNL-UHFFFAOYSA-N -1 3 305.345 2.078 20 30 DEEDHM Cc1ccc(C#N)nc1N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592113083 1076851011 /nfs/dbraw/zinc/85/10/11/1076851011.db2.gz DULXOEHWWJWLNL-UHFFFAOYSA-N -1 3 305.345 2.078 20 30 DEEDHM Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC001592116249 1076852115 /nfs/dbraw/zinc/85/21/15/1076852115.db2.gz QYDQCYQIDDASSW-UHFFFAOYSA-N -1 3 318.340 2.323 20 30 DEEDHM Cc1ccc(C(=O)N(C)c2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC001592116249 1076852122 /nfs/dbraw/zinc/85/21/22/1076852122.db2.gz QYDQCYQIDDASSW-UHFFFAOYSA-N -1 3 318.340 2.323 20 30 DEEDHM Cc1nc(NCC2(C#N)CCC2)c(Cl)cc1-c1nnn[n-]1 ZINC001592386657 1076907979 /nfs/dbraw/zinc/90/79/79/1076907979.db2.gz XUUQXYZLJHWINY-UHFFFAOYSA-N -1 3 303.757 2.329 20 30 DEEDHM Cc1nc(NCC2(C#N)CCC2)c(Cl)cc1-c1nn[n-]n1 ZINC001592386657 1076907980 /nfs/dbraw/zinc/90/79/80/1076907980.db2.gz XUUQXYZLJHWINY-UHFFFAOYSA-N -1 3 303.757 2.329 20 30 DEEDHM Cn1ncc(Cl)c1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001592601098 1076931823 /nfs/dbraw/zinc/93/18/23/1076931823.db2.gz NSYYGZGSOBIVGF-SREVYHEPSA-N -1 3 314.736 2.150 20 30 DEEDHM Cn1ncc(Cl)c1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001592601098 1076931828 /nfs/dbraw/zinc/93/18/28/1076931828.db2.gz NSYYGZGSOBIVGF-SREVYHEPSA-N -1 3 314.736 2.150 20 30 DEEDHM N#CC1(C(=O)N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)CCCC1 ZINC001592668286 1076949613 /nfs/dbraw/zinc/94/96/13/1076949613.db2.gz 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ZINC001236683781 1138393587 /nfs/dbraw/zinc/39/35/87/1138393587.db2.gz FGJNLBDZTDRQMH-UHFFFAOYSA-N -1 3 311.223 2.458 20 30 DEEDHM N#Cc1ccnc(N2CCN(Cc3ccc(F)c([O-])c3)CC2)c1 ZINC001236706165 1138399231 /nfs/dbraw/zinc/39/92/31/1138399231.db2.gz UZWSKDRPCKPCLY-UHFFFAOYSA-N -1 3 312.348 2.120 20 30 DEEDHM COC(=O)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1CC#N ZINC001241445717 1139812834 /nfs/dbraw/zinc/81/28/34/1139812834.db2.gz VIOGXDVQMZWJCE-UHFFFAOYSA-N -1 3 319.324 2.386 20 30 DEEDHM COC(=O)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1CC#N ZINC001241445717 1139812835 /nfs/dbraw/zinc/81/28/35/1139812835.db2.gz VIOGXDVQMZWJCE-UHFFFAOYSA-N -1 3 319.324 2.386 20 30 DEEDHM C=CCN(C)CCN(CC)C(=O)c1s[n-]c(=O)c1Cl ZINC001297372681 1139861002 /nfs/dbraw/zinc/86/10/02/1139861002.db2.gz ARJWVDGDYNAVAW-UHFFFAOYSA-N -1 3 303.815 2.082 20 30 DEEDHM C=C1CC(C)(C(=O)N[C@H](CC)CNC(=O)c2ccccc2[O-])C1 ZINC001297366037 1139862960 /nfs/dbraw/zinc/86/29/60/1139862960.db2.gz RLZVXXVARVZPBB-CYBMUJFWSA-N -1 3 316.401 2.373 20 30 DEEDHM O=C(/C=C\c1ccc(F)c2ccccc12)N[C@@H]1CCN([O-])C1=O ZINC001298426825 1140046853 /nfs/dbraw/zinc/04/68/53/1140046853.db2.gz QJAFWBBFMGHEML-DDJMYBDESA-N -1 3 314.316 2.098 20 30 DEEDHM CCOC(=O)[C@@H](C)n1cc(Nc2cc(C#N)ccc2[O-])cn1 ZINC001248383037 1141786252 /nfs/dbraw/zinc/78/62/52/1141786252.db2.gz UYSFFPVCFDGLNL-SNVBAGLBSA-N -1 3 300.318 2.328 20 30 DEEDHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(C#N)c2)cc1 ZINC001251924151 1142548304 /nfs/dbraw/zinc/54/83/04/1142548304.db2.gz OIQRPRWULIPNBY-UHFFFAOYSA-N -1 3 318.354 2.376 20 30 DEEDHM N#Cc1ccc(NCCCc2c[n-][nH]c2=O)cc1Br ZINC001337925593 1142811448 /nfs/dbraw/zinc/81/14/48/1142811448.db2.gz LOQCTOSNSFPEHU-JTQLQIEISA-N -1 3 321.178 2.245 20 30 DEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCSC(C)(C)C1 ZINC001338885212 1142889428 /nfs/dbraw/zinc/88/94/28/1142889428.db2.gz POKBWFACSFWPPT-UHFFFAOYSA-N -1 3 321.406 2.157 20 30 DEEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)CCC ZINC001339758277 1143094660 /nfs/dbraw/zinc/09/46/60/1143094660.db2.gz WWCWDQRYHXUSEF-UHFFFAOYSA-N -1 3 324.392 2.157 20 30 DEEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)CCC ZINC001339758277 1143094665 /nfs/dbraw/zinc/09/46/65/1143094665.db2.gz WWCWDQRYHXUSEF-UHFFFAOYSA-N -1 3 324.392 2.157 20 30 DEEDHM [O-]c1cccc(Cl)c1C=NNC(=S)NCc1cccnc1 ZINC001341146169 1143549876 /nfs/dbraw/zinc/54/98/76/1143549876.db2.gz VIJNGCBNXOAPBS-UHFFFAOYSA-N -1 3 320.805 2.439 20 30 DEEDHM C=C(C)CN(C)c1nnc(-c2c[n-]oc2=O)n1CCCOCC ZINC001342460014 1143818866 /nfs/dbraw/zinc/81/88/66/1143818866.db2.gz RFJUPIXKJOXUFM-UHFFFAOYSA-N -1 3 321.381 2.078 20 30 DEEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)o1 ZINC001259503985 1144104080 /nfs/dbraw/zinc/10/40/80/1144104080.db2.gz AKJORUALMKMYLA-UHFFFAOYSA-N -1 3 316.260 2.047 20 30 DEEDHM N#Cc1ccc(CS(=O)(=O)Nc2cc([O-])c(F)cc2F)cc1 ZINC001260044525 1144172263 /nfs/dbraw/zinc/17/22/63/1144172263.db2.gz XYMMYIFLXDBJKN-UHFFFAOYSA-N -1 3 324.308 2.484 20 30 DEEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H]1C ZINC001263288625 1144365400 /nfs/dbraw/zinc/36/54/00/1144365400.db2.gz YJORCDNUMKRIQR-VIFPVBQESA-N -1 3 307.789 2.281 20 30 DEEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H]1C ZINC001263288625 1144365405 /nfs/dbraw/zinc/36/54/05/1144365405.db2.gz YJORCDNUMKRIQR-VIFPVBQESA-N -1 3 307.789 2.281 20 30 DEEDHM N#Cc1sccc1C(=O)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001364694316 1145472992 /nfs/dbraw/zinc/47/29/92/1145472992.db2.gz SQESTUOOGBCNHQ-UHFFFAOYSA-N -1 3 312.354 2.149 20 30 DEEDHM CC[C@@H]([N-]S(=O)(=O)c1c(C)cccc1C#N)C(F)(F)F ZINC001365475751 1145877086 /nfs/dbraw/zinc/87/70/86/1145877086.db2.gz TWIFAQKUXQHWNQ-SNVBAGLBSA-N -1 3 306.309 2.486 20 30 DEEDHM C=C(C)CCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001287880265 1146737846 /nfs/dbraw/zinc/73/78/46/1146737846.db2.gz IYVGRNAREPECHB-HIFRSBDPSA-N -1 3 316.401 2.468 20 30 DEEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cc(C)n1 ZINC001325490515 1147926518 /nfs/dbraw/zinc/92/65/18/1147926518.db2.gz QSBBKCQUIPHIAH-UHFFFAOYSA-N -1 3 321.789 2.446 20 30 DEEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190153096 529448254 /nfs/dbraw/zinc/44/82/54/529448254.db2.gz PDWSSYCCDRIAQW-NSHDSACASA-N -1 3 311.363 2.182 20 30 DEEDHM COc1ccc([N-]S(=O)(=O)[C@H](C)C#N)cc1Br ZINC000088486548 185253159 /nfs/dbraw/zinc/25/31/59/185253159.db2.gz GTLQFANLGXSBCM-SSDOTTSWSA-N -1 3 319.180 2.111 20 30 DEEDHM C=CCN(Cc1cc([O-])ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000625246327 365695533 /nfs/dbraw/zinc/69/55/33/365695533.db2.gz PCWSULJRMLDFKS-LBPRGKRZSA-N -1 3 315.822 2.221 20 30 DEEDHM Cc1cc(C(C#N)=C([O-])c2cccc([S@](C)=O)c2)nc(C)n1 ZINC000613760289 362201040 /nfs/dbraw/zinc/20/10/40/362201040.db2.gz OYTXOKUIIGYJNJ-FPTDNZKUSA-N -1 3 313.382 2.321 20 30 DEEDHM CCOc1nc(C(=O)[N-]c2ncccc2OCCCC#N)co1 ZINC000613928832 362247602 /nfs/dbraw/zinc/24/76/02/362247602.db2.gz GPZBEXUDBVYFGT-UHFFFAOYSA-N -1 3 316.317 2.403 20 30 DEEDHM Cc1csc(C(C#N)=C([O-])c2ccc(-n3cnnn3)c(C)c2)n1 ZINC000073974130 539352337 /nfs/dbraw/zinc/35/23/37/539352337.db2.gz HPYBSQGQDVHAJA-GFCCVEGCSA-N -1 3 324.369 2.226 20 30 DEEDHM COc1ccc(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)c(F)c1 ZINC000616338722 362830073 /nfs/dbraw/zinc/83/00/73/362830073.db2.gz HDJVMNSNGLCYLW-SNVBAGLBSA-N -1 3 300.355 2.051 20 30 DEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CCSC1 ZINC000279719397 215088689 /nfs/dbraw/zinc/08/86/89/215088689.db2.gz ITHLHHBRIOPIEV-SECBINFHSA-N -1 3 316.835 2.243 20 30 DEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCC1CC1 ZINC000128334109 355828568 /nfs/dbraw/zinc/82/85/68/355828568.db2.gz PWFSZULYWRVZCP-UHFFFAOYSA-N -1 3 301.390 2.102 20 30 DEEDHM C=CCOc1ccccc1C(=O)Nc1cc(C(=O)OCC)[n-]n1 ZINC000183276687 356166009 /nfs/dbraw/zinc/16/60/09/356166009.db2.gz FRBNULGYVYQNMR-UHFFFAOYSA-N -1 3 315.329 2.404 20 30 DEEDHM C=CCOc1ccccc1C(=O)Nc1cc(C(=O)OCC)n[n-]1 ZINC000183276687 356166012 /nfs/dbraw/zinc/16/60/12/356166012.db2.gz FRBNULGYVYQNMR-UHFFFAOYSA-N -1 3 315.329 2.404 20 30 DEEDHM Cc1noc(C)c1[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)s1 ZINC000230342691 356283948 /nfs/dbraw/zinc/28/39/48/356283948.db2.gz LXYHNDBVFFIUAI-QMMMGPOBSA-N -1 3 311.388 2.264 20 30 DEEDHM N#Cc1ccccc1OCc1nc(-c2ccc3n[n-]nc3c2)no1 ZINC000350477140 356529751 /nfs/dbraw/zinc/52/97/51/356529751.db2.gz GHGFSXAEOTXJLS-UHFFFAOYSA-N -1 3 318.296 2.459 20 30 DEEDHM CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000591498771 357731465 /nfs/dbraw/zinc/73/14/65/357731465.db2.gz ODCKYBOOJBVWJC-HOTGVXAUSA-N -1 3 324.446 2.102 20 30 DEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCS[C@H]1C ZINC000592732846 357932100 /nfs/dbraw/zinc/93/21/00/357932100.db2.gz CWHUTOQGDXKLOI-FZMZJTMJSA-N -1 3 319.430 2.219 20 30 DEEDHM CO[C@@H](CS(=O)(=O)[N-]CC1(C#N)CCC1)C1CCCCC1 ZINC000594783196 358336614 /nfs/dbraw/zinc/33/66/14/358336614.db2.gz JKIQVBSIOCMNFB-AWEZNQCLSA-N -1 3 314.451 2.195 20 30 DEEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cc(=O)[n-]cn1 ZINC000599613157 359542350 /nfs/dbraw/zinc/54/23/50/359542350.db2.gz JOQIDCLJBXSYSJ-ZFWWWQNUSA-N -1 3 308.341 2.094 20 30 DEEDHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)CC1(C#N)CCCCC1)C2 ZINC000602192472 360305810 /nfs/dbraw/zinc/30/58/10/360305810.db2.gz DCYRTQOCHGWERE-UHFFFAOYSA-N -1 3 300.362 2.197 20 30 DEEDHM N#CCCN1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000602748730 360534771 /nfs/dbraw/zinc/53/47/71/360534771.db2.gz RFGFWZFUUKGBCG-UHFFFAOYSA-N -1 3 324.222 2.186 20 30 DEEDHM CCC(C)(C)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000192199876 200834395 /nfs/dbraw/zinc/83/43/95/200834395.db2.gz KOPIUVZAVVEZDQ-UHFFFAOYSA-N -1 3 303.406 2.348 20 30 DEEDHM N#Cc1cc([N+](=O)[O-])cnc1[N-]c1cnn(-c2ccccn2)c1 ZINC000610077400 361357323 /nfs/dbraw/zinc/35/73/23/361357323.db2.gz XWORDBXLZRMFMV-UHFFFAOYSA-N -1 3 307.273 2.186 20 30 DEEDHM Cc1cccc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1[O-] ZINC000611280039 361569588 /nfs/dbraw/zinc/56/95/88/361569588.db2.gz BMQKIGZVUWCGGT-HNNXBMFYSA-N -1 3 301.390 2.007 20 30 DEEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000611304984 361576718 /nfs/dbraw/zinc/57/67/18/361576718.db2.gz VWTZJQWSGLUCIM-GFCCVEGCSA-N -1 3 302.346 2.322 20 30 DEEDHM C=CCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(C)n1 ZINC000673739233 541137705 /nfs/dbraw/zinc/13/77/05/541137705.db2.gz NYQRDRSKASMHBN-UHFFFAOYSA-N -1 3 324.344 2.116 20 30 DEEDHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000451716841 243348937 /nfs/dbraw/zinc/34/89/37/243348937.db2.gz ARBNEWTZCWNGJL-JTQLQIEISA-N -1 3 316.810 2.041 20 30 DEEDHM C#CCC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000094455619 193370697 /nfs/dbraw/zinc/37/06/97/193370697.db2.gz XPTVIMAOAURCPD-UHFFFAOYSA-N -1 3 308.222 2.121 20 30 DEEDHM CCOCC(C)(C)C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000288398511 220132164 /nfs/dbraw/zinc/13/21/64/220132164.db2.gz MKOCJSCMYSVDIU-UHFFFAOYSA-N -1 3 314.382 2.038 20 30 DEEDHM N#CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000040215458 183046077 /nfs/dbraw/zinc/04/60/77/183046077.db2.gz WPKVCEWQAPYZGB-UHFFFAOYSA-N -1 3 309.347 2.100 20 30 DEEDHM C=C(C)CO[N-]C(=O)/C=C/c1cc(OC)c(OC)cc1OC ZINC000493301353 249272543 /nfs/dbraw/zinc/27/25/43/249272543.db2.gz JNZGSUHMJSYNCY-VOTSOKGWSA-N -1 3 307.346 2.350 20 30 DEEDHM C=CCOCCCC(=O)Nc1nc2cccc(C(=O)OC)c2[n-]1 ZINC000158461487 197274279 /nfs/dbraw/zinc/27/42/79/197274279.db2.gz CXQMQBIQSLKEEB-UHFFFAOYSA-N -1 3 317.345 2.271 20 30 DEEDHM C=CCOCCCC(=O)Nc1nc2c(cccc2C(=O)OC)[n-]1 ZINC000158461487 197274281 /nfs/dbraw/zinc/27/42/81/197274281.db2.gz CXQMQBIQSLKEEB-UHFFFAOYSA-N -1 3 317.345 2.271 20 30 DEEDHM Cc1cc(F)cc2c1[n-]cc(C(=O)N(C)[C@H](C)CC#N)c2=O ZINC000157314169 197179454 /nfs/dbraw/zinc/17/94/54/197179454.db2.gz LMMWTVBJIAZPRN-SNVBAGLBSA-N -1 3 301.321 2.350 20 30 DEEDHM N#Cc1cccc(C2(NC(=O)c3ccc4n[n-]nc4c3)CC2)c1 ZINC000357305459 147083370 /nfs/dbraw/zinc/08/33/70/147083370.db2.gz KQFVMAKYBYNBPU-UHFFFAOYSA-N -1 3 303.325 2.249 20 30 DEEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCS2)c1 ZINC000126745209 401706783 /nfs/dbraw/zinc/70/67/83/401706783.db2.gz KTJMREYRUUIAMG-SNVBAGLBSA-N -1 3 316.835 2.386 20 30 DEEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC000135379003 401937750 /nfs/dbraw/zinc/93/77/50/401937750.db2.gz LSISOHLGPBXLAZ-UHFFFAOYSA-N -1 3 301.302 2.370 20 30 DEEDHM CC(=O)Nc1ccc([O-])c(C(=O)N(CCC#N)CC2CC2)c1 ZINC000122272649 402070305 /nfs/dbraw/zinc/07/03/05/402070305.db2.gz RRJAVPXQVPMEDF-UHFFFAOYSA-N -1 3 301.346 2.116 20 30 DEEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000054178769 402063988 /nfs/dbraw/zinc/06/39/88/402063988.db2.gz HPUPNEFLEMWPMH-QMMMGPOBSA-N -1 3 317.754 2.219 20 30 DEEDHM Cc1nc([N-]C(=O)c2occc2COc2cccc(C#N)c2)n[nH]1 ZINC000103258447 402182658 /nfs/dbraw/zinc/18/26/58/402182658.db2.gz JKFUYRRBKVUSSR-UHFFFAOYSA-N -1 3 323.312 2.409 20 30 DEEDHM Cc1cnccc1NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000107288596 402229605 /nfs/dbraw/zinc/22/96/05/402229605.db2.gz SQQRBRFUWBXTET-UHFFFAOYSA-N -1 3 310.357 2.138 20 30 DEEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000230335798 402350655 /nfs/dbraw/zinc/35/06/55/402350655.db2.gz YNIGBGWHXVTSGM-UHFFFAOYSA-N -1 3 323.355 2.006 20 30 DEEDHM CC[C@H](C#N)[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000160836794 402362506 /nfs/dbraw/zinc/36/25/06/402362506.db2.gz JLHKDYDOXVOGPN-LLVKDONJSA-N -1 3 306.309 2.427 20 30 DEEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000160879843 402363972 /nfs/dbraw/zinc/36/39/72/402363972.db2.gz NKPGQIDGWOIPSZ-QMMMGPOBSA-N -1 3 317.754 2.137 20 30 DEEDHM N#Cc1ccccc1CN1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000177182840 402379174 /nfs/dbraw/zinc/37/91/74/402379174.db2.gz WCDXSSZUXJQTDY-UHFFFAOYSA-N -1 3 321.380 2.222 20 30 DEEDHM N#CCCC[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161841771 402401276 /nfs/dbraw/zinc/40/12/76/402401276.db2.gz NJAMAOOZZGNQAG-UHFFFAOYSA-N -1 3 321.171 2.170 20 30 DEEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccn2)c(Cl)c1 ZINC000169261838 402501253 /nfs/dbraw/zinc/50/12/53/402501253.db2.gz BXLPGBSVKDIPCS-UHFFFAOYSA-N -1 3 321.789 2.128 20 30 DEEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000179227794 402582276 /nfs/dbraw/zinc/58/22/76/402582276.db2.gz BLOZTFTXLVZQKU-ZETCQYMHSA-N 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C=CCN(Cc1ccc(-c2nn[n-]n2)cc1F)[C@@H](C)COC ZINC001588635557 1076460071 /nfs/dbraw/zinc/46/00/71/1076460071.db2.gz NQFQCXQLSPVLPY-NSHDSACASA-N -1 3 305.357 2.029 20 30 DEEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cn1)c1cnn(C2CCC2)c1 ZINC001588781020 1076464911 /nfs/dbraw/zinc/46/49/11/1076464911.db2.gz XPUKWWVRXXVHBU-UHFFFAOYSA-N -1 3 323.364 2.019 20 30 DEEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cn1)c1cnn(C2CCC2)c1 ZINC001588781020 1076464912 /nfs/dbraw/zinc/46/49/12/1076464912.db2.gz XPUKWWVRXXVHBU-UHFFFAOYSA-N -1 3 323.364 2.019 20 30 DEEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)[C@]1(C)CCCO1 ZINC001588777334 1076464935 /nfs/dbraw/zinc/46/49/35/1076464935.db2.gz NMAXSEMYZUPHPV-ZDUSSCGKSA-N -1 3 321.772 2.272 20 30 DEEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)[C@]1(C)CCCO1 ZINC001588777334 1076464937 /nfs/dbraw/zinc/46/49/37/1076464937.db2.gz NMAXSEMYZUPHPV-ZDUSSCGKSA-N -1 3 321.772 2.272 20 30 DEEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001589085649 1076474573 /nfs/dbraw/zinc/47/45/73/1076474573.db2.gz 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/nfs/dbraw/zinc/59/85/89/798598589.db2.gz WUMLWRMPHFQNPV-KWQFWETISA-N -1 3 313.810 2.171 20 30 DEEDHM Cc1ccc2c(c1)nc(Cl)nc2N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001160174782 798657721 /nfs/dbraw/zinc/65/77/21/798657721.db2.gz ONZHYGQONYVAFI-KWQFWETISA-N -1 3 306.753 2.240 20 30 DEEDHM N#Cc1nc(N)c(Nc2cc(C(F)(F)F)ccc2[O-])nc1C#N ZINC001209980724 801315837 /nfs/dbraw/zinc/31/58/37/801315837.db2.gz SSKDBVMZCHXBLP-UHFFFAOYSA-N -1 3 320.234 2.270 20 30 DEEDHM CCC1=C(Oc2[n-]c(=O)nc3cccc(F)c32)C(=O)[C@H](C)O1 ZINC001231073083 801571326 /nfs/dbraw/zinc/57/13/26/801571326.db2.gz FJACOHGXYDWDRR-ZETCQYMHSA-N -1 3 304.277 2.463 20 30 DEEDHM N#Cc1ccc(CN2CCC(O)(C(F)(F)F)CC2)c([O-])c1 ZINC001233383468 802099594 /nfs/dbraw/zinc/09/95/94/802099594.db2.gz JDOSOIQXFYZGDC-UHFFFAOYSA-N -1 3 300.280 2.153 20 30 DEEDHM COC(=O)CCN(Cc1ccco1)Cc1ccc(C#N)cc1[O-] ZINC001233386520 802102980 /nfs/dbraw/zinc/10/29/80/802102980.db2.gz XBQRGMYDAITGKB-UHFFFAOYSA-N -1 3 314.341 2.422 20 30 DEEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1cccc([O-])c1C(N)=O ZINC001234146903 802309120 /nfs/dbraw/zinc/30/91/20/802309120.db2.gz IXVFTWAVCXOTMP-JTQLQIEISA-N -1 3 307.346 2.156 20 30 DEEDHM CCOC(=O)[C@@H](C)[C@@H](O/C(=N\[O-])c1ccccn1)C(F)(F)F ZINC001223977668 802827603 /nfs/dbraw/zinc/82/76/03/802827603.db2.gz MKXPUXZEWGQSIF-BVURBFQPSA-N -1 3 320.267 2.364 20 30 DEEDHM C=C[C@@H](CC(=O)OC(C)(C)C)Oc1nccc([O-])c1[N+](=O)[O-] ZINC001225666370 802999562 /nfs/dbraw/zinc/99/95/62/802999562.db2.gz HJWPIAMMPONHMF-VIFPVBQESA-N -1 3 310.306 2.361 20 30 DEEDHM C=C1O[C@@H](CC)C(=O)C1Oc1[n-]c(=O)nc2ccc(F)cc21 ZINC001226408854 803104129 /nfs/dbraw/zinc/10/41/29/803104129.db2.gz OERFGZPXYGSRGL-NSHDSACASA-N -1 3 304.277 2.463 20 30 DEEDHM C#CCCCC(=O)NCCC[C@H](C)NC(=O)c1ccccc1[O-] ZINC001335893865 1150556160 /nfs/dbraw/zinc/55/61/60/1150556160.db2.gz UJKYKCJPOFGVDD-AWEZNQCLSA-N -1 3 316.401 2.210 20 30 DEEDHM C=C(CNC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573295448 947019324 /nfs/dbraw/zinc/01/93/24/947019324.db2.gz RNEAQCGSWSELNO-UHFFFAOYSA-N -1 3 320.356 2.013 20 30 DEEDHM C=C(CNC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573295448 947019335 /nfs/dbraw/zinc/01/93/35/947019335.db2.gz RNEAQCGSWSELNO-UHFFFAOYSA-N -1 3 320.356 2.013 20 30 DEEDHM C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001573341290 947531274 /nfs/dbraw/zinc/53/12/74/947531274.db2.gz KWCGBFDPJGATPX-LSDHHAIUSA-N -1 3 309.373 2.171 20 30 DEEDHM C=CCN(CC=C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001573341290 947531284 /nfs/dbraw/zinc/53/12/84/947531284.db2.gz KWCGBFDPJGATPX-LSDHHAIUSA-N -1 3 309.373 2.171 20 30 DEEDHM Cn1c(Cl)cnc1C(C#N)C(=O)C=Cc1ccc(C(=O)[O-])o1 ZINC001594520088 955451102 /nfs/dbraw/zinc/45/11/02/955451102.db2.gz KPPHZPSLOXQQFA-HDMKULJXSA-N -1 3 319.704 2.254 20 30 DEEDHM CCCCCCCC[C@H](N)C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC001595704997 982282029 /nfs/dbraw/zinc/28/20/29/982282029.db2.gz MQOVGCQSQLEDPW-SWLSCSKDSA-N -1 3 302.390 2.090 20 30 DEEDHM C#CCC1(O)CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC001588431693 983465535 /nfs/dbraw/zinc/46/55/35/983465535.db2.gz LYASSDAXSKIOFD-AWEZNQCLSA-N -1 3 307.777 2.316 20 30 DEEDHM C=CCCC[C@@H](N)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC001588784727 984177662 /nfs/dbraw/zinc/17/76/62/984177662.db2.gz AOMRPZHSDSWKIH-KGLIPLIRSA-N -1 3 308.353 2.141 20 30 DEEDHM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1cc(Cl)cc(C#N)c1 ZINC001594526358 986051996 /nfs/dbraw/zinc/05/19/96/986051996.db2.gz WABPAJMBHRNMEE-GFCCVEGCSA-N -1 3 321.808 2.192 20 30 DEEDHM C[C@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001594423831 999584420 /nfs/dbraw/zinc/58/44/20/999584420.db2.gz IZXFFXWGMGZIMK-HZMBPMFUSA-N -1 3 303.318 2.152 20 30 DEEDHM C#C[C@@H](C)N(C)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602689986 1069725628 /nfs/dbraw/zinc/72/56/28/1069725628.db2.gz PHSHFBIPYOEUTE-CYBMUJFWSA-N -1 3 323.400 2.159 20 30 DEEDHM C#C[C@@H](C)N(C)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602689986 1069725635 /nfs/dbraw/zinc/72/56/35/1069725635.db2.gz PHSHFBIPYOEUTE-CYBMUJFWSA-N -1 3 323.400 2.159 20 30 DEEDHM C#C[C@@H]1CCCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)C1 ZINC001602697527 1069730195 /nfs/dbraw/zinc/73/01/95/1069730195.db2.gz XENBSMZNSQYIQP-SNVBAGLBSA-N -1 3 302.769 2.073 20 30 DEEDHM C#C[C@@H]1CCCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)C1 ZINC001602697527 1069730201 /nfs/dbraw/zinc/73/02/01/1069730201.db2.gz XENBSMZNSQYIQP-SNVBAGLBSA-N -1 3 302.769 2.073 20 30 DEEDHM C#CC[C@@H]1CCN(c2ncc(-c3nnn[n-]3)c3ccsc32)C1 ZINC001602703633 1069732412 /nfs/dbraw/zinc/73/24/12/1069732412.db2.gz WPTUCSBJRGWXSE-SNVBAGLBSA-N -1 3 310.386 2.326 20 30 DEEDHM C#CC[C@@H]1CCN(c2ncc(-c3nn[n-]n3)c3ccsc32)C1 ZINC001602703633 1069732417 /nfs/dbraw/zinc/73/24/17/1069732417.db2.gz WPTUCSBJRGWXSE-SNVBAGLBSA-N -1 3 310.386 2.326 20 30 DEEDHM C#CC[C@@H]1CCCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001602699103 1069728703 /nfs/dbraw/zinc/72/87/03/1069728703.db2.gz CKIQXZLFMWSNSM-OAHLLOKOSA-N -1 3 323.400 2.061 20 30 DEEDHM C#CC[C@@H]1CCCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602699103 1069728711 /nfs/dbraw/zinc/72/87/11/1069728711.db2.gz CKIQXZLFMWSNSM-OAHLLOKOSA-N -1 3 323.400 2.061 20 30 DEEDHM C#CCCCC(=O)NCc1ccc(SC)c(-c2nnn[n-]2)c1 ZINC001602703923 1069732664 /nfs/dbraw/zinc/73/26/64/1069732664.db2.gz JLWWEHGCRXAIFI-UHFFFAOYSA-N -1 3 315.402 2.008 20 30 DEEDHM C#CCCCC(=O)NCc1ccc(SC)c(-c2nn[n-]n2)c1 ZINC001602703923 1069732678 /nfs/dbraw/zinc/73/26/78/1069732678.db2.gz JLWWEHGCRXAIFI-UHFFFAOYSA-N -1 3 315.402 2.008 20 30 DEEDHM C#C[C@H]1CCCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)C1 ZINC001602696112 1069729515 /nfs/dbraw/zinc/72/95/15/1069729515.db2.gz AVUDPJZJDGLOSC-LBPRGKRZSA-N -1 3 310.361 2.052 20 30 DEEDHM C#C[C@H]1CCCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)C1 ZINC001602696112 1069729530 /nfs/dbraw/zinc/72/95/30/1069729530.db2.gz AVUDPJZJDGLOSC-LBPRGKRZSA-N -1 3 310.361 2.052 20 30 DEEDHM C#CCCCCNC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001602711366 1069735008 /nfs/dbraw/zinc/73/50/08/1069735008.db2.gz QQBQGMNLRKKGKL-UHFFFAOYSA-N -1 3 303.753 2.053 20 30 DEEDHM C#CCCCCNC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001602711366 1069735019 /nfs/dbraw/zinc/73/50/19/1069735019.db2.gz QQBQGMNLRKKGKL-UHFFFAOYSA-N -1 3 303.753 2.053 20 30 DEEDHM C=CC(C)(C)CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001602786811 1069755660 /nfs/dbraw/zinc/75/56/60/1069755660.db2.gz KSVJTRBAQMOVCY-UHFFFAOYSA-N -1 3 316.365 2.209 20 30 DEEDHM C=CC(C)(C)CNC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001602786811 1069755666 /nfs/dbraw/zinc/75/56/66/1069755666.db2.gz KSVJTRBAQMOVCY-UHFFFAOYSA-N -1 3 316.365 2.209 20 30 DEEDHM C=CC(C)(C)CNC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602787056 1069755694 /nfs/dbraw/zinc/75/56/94/1069755694.db2.gz XMGJJXCVVGCCCF-UHFFFAOYSA-N -1 3 318.356 2.017 20 30 DEEDHM C=CC(C)(C)CNC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602787056 1069755696 /nfs/dbraw/zinc/75/56/96/1069755696.db2.gz XMGJJXCVVGCCCF-UHFFFAOYSA-N -1 3 318.356 2.017 20 30 DEEDHM C=C[C@H](C)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602798678 1069756474 /nfs/dbraw/zinc/75/64/74/1069756474.db2.gz QTVLAJMDALKWBX-LBPRGKRZSA-N -1 3 311.389 2.369 20 30 DEEDHM C=C[C@H](C)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602798678 1069756481 /nfs/dbraw/zinc/75/64/81/1069756481.db2.gz QTVLAJMDALKWBX-LBPRGKRZSA-N -1 3 311.389 2.369 20 30 DEEDHM C=C[C@@H](CC)CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001602804840 1069759621 /nfs/dbraw/zinc/75/96/21/1069759621.db2.gz WUZBWZOTHJYDFT-JTQLQIEISA-N -1 3 303.341 2.224 20 30 DEEDHM C=C[C@@H](CC)CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001602804840 1069759632 /nfs/dbraw/zinc/75/96/32/1069759632.db2.gz WUZBWZOTHJYDFT-JTQLQIEISA-N -1 3 303.341 2.224 20 30 DEEDHM C=CC[C@H](CC)NC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001602811317 1069763521 /nfs/dbraw/zinc/76/35/21/1069763521.db2.gz IPSCLWDBRREGJX-NSHDSACASA-N -1 3 320.422 2.424 20 30 DEEDHM C=CC[C@H](CC)NC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001602811317 1069763532 /nfs/dbraw/zinc/76/35/32/1069763532.db2.gz IPSCLWDBRREGJX-NSHDSACASA-N -1 3 320.422 2.424 20 30 DEEDHM C=CCCC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001602833588 1069769573 /nfs/dbraw/zinc/76/95/73/1069769573.db2.gz RDIPOOQHGHARSS-UHFFFAOYSA-N -1 3 315.377 2.350 20 30 DEEDHM C=CCCC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001602833588 1069769587 /nfs/dbraw/zinc/76/95/87/1069769587.db2.gz RDIPOOQHGHARSS-UHFFFAOYSA-N -1 3 315.377 2.350 20 30 DEEDHM C=CCCC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001602833983 1069769929 /nfs/dbraw/zinc/76/99/29/1069769929.db2.gz YRPHPJRBEZXDID-UHFFFAOYSA-N -1 3 320.784 2.390 20 30 DEEDHM C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001602846880 1069775472 /nfs/dbraw/zinc/77/54/72/1069775472.db2.gz BHJOETFCWPCPJW-LSDHHAIUSA-N -1 3 311.389 2.393 20 30 DEEDHM C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001602846880 1069775474 /nfs/dbraw/zinc/77/54/74/1069775474.db2.gz BHJOETFCWPCPJW-LSDHHAIUSA-N -1 3 311.389 2.393 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCSC ZINC001602853412 1069779363 /nfs/dbraw/zinc/77/93/63/1069779363.db2.gz ALGJKKPXBJVUFZ-UHFFFAOYSA-N -1 3 317.418 2.134 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCSC ZINC001602853412 1069779366 /nfs/dbraw/zinc/77/93/66/1069779366.db2.gz ALGJKKPXBJVUFZ-UHFFFAOYSA-N -1 3 317.418 2.134 20 30 DEEDHM C=CCO[C@@H]1CCN(c2nc(C)c(-c3nnn[n-]3)cc2Cl)C1 ZINC001602866542 1069783975 /nfs/dbraw/zinc/78/39/75/1069783975.db2.gz CZKMHBUOWYVYOC-SNVBAGLBSA-N -1 3 320.784 2.005 20 30 DEEDHM C=CCO[C@@H]1CCN(c2nc(C)c(-c3nn[n-]n3)cc2Cl)C1 ZINC001602866542 1069783986 /nfs/dbraw/zinc/78/39/86/1069783986.db2.gz CZKMHBUOWYVYOC-SNVBAGLBSA-N -1 3 320.784 2.005 20 30 DEEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001603258929 1069925054 /nfs/dbraw/zinc/92/50/54/1069925054.db2.gz YWKUGESQTTVSIB-SNVBAGLBSA-N -1 3 318.768 2.188 20 30 DEEDHM CC(C)C[C@H](C#N)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001603258929 1069925065 /nfs/dbraw/zinc/92/50/65/1069925065.db2.gz YWKUGESQTTVSIB-SNVBAGLBSA-N -1 3 318.768 2.188 20 30 DEEDHM C[C@H](NCC1(C#N)CCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC001603656127 1070023840 /nfs/dbraw/zinc/02/38/40/1070023840.db2.gz FDAUDGAPMZGXFT-JTQLQIEISA-N -1 3 300.341 2.350 20 30 DEEDHM C[C@H](NCC1(C#N)CCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001603656127 1070023855 /nfs/dbraw/zinc/02/38/55/1070023855.db2.gz FDAUDGAPMZGXFT-JTQLQIEISA-N -1 3 300.341 2.350 20 30 DEEDHM C[C@]1(C#N)CCN(Cc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001603736586 1070071067 /nfs/dbraw/zinc/07/10/67/1070071067.db2.gz ONYXVWRRRKWXLC-CQSZACIVSA-N -1 3 302.769 2.256 20 30 DEEDHM C[C@]1(C#N)CCN(Cc2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001603736586 1070071085 /nfs/dbraw/zinc/07/10/85/1070071085.db2.gz ONYXVWRRRKWXLC-CQSZACIVSA-N -1 3 302.769 2.256 20 30 DEEDHM CC[C@H](C)[C@@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)OC ZINC001603998576 1070169648 /nfs/dbraw/zinc/16/96/48/1070169648.db2.gz FIOVQLXEKMWLLL-SMDDNHRTSA-N -1 3 302.382 2.003 20 30 DEEDHM CC[C@H](C)[C@@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)OC ZINC001603998576 1070169653 /nfs/dbraw/zinc/16/96/53/1070169653.db2.gz FIOVQLXEKMWLLL-SMDDNHRTSA-N -1 3 302.382 2.003 20 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/nfs/dbraw/zinc/66/74/22/1070667422.db2.gz VUGUUYPKIQWAGE-WAPJZHGLSA-N -1 3 322.324 2.477 20 30 DEEDHM Cc1c2ccccc2nc(N2CC[C@@](C)(C#N)C2)c1-c1nnn[n-]1 ZINC001605464108 1070721184 /nfs/dbraw/zinc/72/11/84/1070721184.db2.gz BKKIRHRVEVPAGS-KRWDZBQOSA-N -1 3 319.372 2.463 20 30 DEEDHM Cc1c2ccccc2nc(N2CC[C@@](C)(C#N)C2)c1-c1nn[n-]n1 ZINC001605464108 1070721197 /nfs/dbraw/zinc/72/11/97/1070721197.db2.gz BKKIRHRVEVPAGS-KRWDZBQOSA-N -1 3 319.372 2.463 20 30 DEEDHM Cc1cc(C=NNCCc2ccccc2F)ccc1-c1nnn[n-]1 ZINC001605653009 1070797714 /nfs/dbraw/zinc/79/77/14/1070797714.db2.gz VZUNUAWOUGKEGT-UHFFFAOYSA-N -1 3 324.363 2.480 20 30 DEEDHM Cc1cc(C=NNCCc2ccccc2F)ccc1-c1nn[n-]n1 ZINC001605653009 1070797722 /nfs/dbraw/zinc/79/77/22/1070797722.db2.gz VZUNUAWOUGKEGT-UHFFFAOYSA-N -1 3 324.363 2.480 20 30 DEEDHM Fc1ccc(C#CCN2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC001606316159 1071115521 /nfs/dbraw/zinc/11/55/21/1071115521.db2.gz VRRZDKHFTMOLLN-UHFFFAOYSA-N -1 3 319.343 2.420 20 30 DEEDHM 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/nfs/dbraw/zinc/13/89/37/1071138937.db2.gz IXISMFFAWSRGSS-UHFFFAOYSA-N -1 3 324.369 2.304 20 30 DEEDHM N#Cc1ccnc(SCCOc2ccccc2-c2nn[n-]n2)c1 ZINC001606389008 1071138956 /nfs/dbraw/zinc/13/89/56/1071138956.db2.gz IXISMFFAWSRGSS-UHFFFAOYSA-N -1 3 324.369 2.304 20 30 DEEDHM N#Cc1ccccc1OCCSc1cc(-c2nnn[n-]2)ccn1 ZINC001606388930 1071139297 /nfs/dbraw/zinc/13/92/97/1071139297.db2.gz HMRUAROJYSONOA-UHFFFAOYSA-N -1 3 324.369 2.304 20 30 DEEDHM N#Cc1ccccc1OCCSc1cc(-c2nn[n-]n2)ccn1 ZINC001606388930 1071139302 /nfs/dbraw/zinc/13/93/02/1071139302.db2.gz HMRUAROJYSONOA-UHFFFAOYSA-N -1 3 324.369 2.304 20 30 DEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cncs1 ZINC001606482228 1071152340 /nfs/dbraw/zinc/15/23/40/1071152340.db2.gz KTHMVNLNPBQJPR-ONEGZZNKSA-N -1 3 301.306 2.358 20 30 DEEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cncs1 ZINC001606482228 1071152346 /nfs/dbraw/zinc/15/23/46/1071152346.db2.gz KTHMVNLNPBQJPR-ONEGZZNKSA-N -1 3 301.306 2.358 20 30 DEEDHM C=CCN(CC=C)c1nnc(-c2cnc[n-]c2=O)n1CC1CC1 ZINC001351399772 1151539835 /nfs/dbraw/zinc/53/98/35/1151539835.db2.gz LXMKYIDZNMLBAQ-UHFFFAOYSA-N -1 3 312.377 2.029 20 30 DEEDHM COC(=O)c1cc(C(=O)[N-]c2cc(C#N)c3ccccc3n2)no1 ZINC001532017525 1071604210 /nfs/dbraw/zinc/60/42/10/1071604210.db2.gz NLHWGEOCUCOAFK-UHFFFAOYSA-N -1 3 322.280 2.133 20 30 DEEDHM C[C@@H](NC(=O)c1ccc(CC#N)cc1)c1nc(C(F)(F)F)n[n-]1 ZINC001456385616 1057854195 /nfs/dbraw/zinc/85/41/95/1057854195.db2.gz PFVNDXIWHVZJHC-MRVPVSSYSA-N -1 3 323.278 2.381 20 30 DEEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccccc1 ZINC001463945806 1059050834 /nfs/dbraw/zinc/05/08/34/1059050834.db2.gz MKRRRRPYXOPXJH-NSHDSACASA-N -1 3 308.309 2.013 20 30 DEEDHM C#Cc1ccccc1CC(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472110948 1060413804 /nfs/dbraw/zinc/41/38/04/1060413804.db2.gz LTBCGQUUQHKXGZ-VIFPVBQESA-N -1 3 322.290 2.225 20 30 DEEDHM C/C=C\C[C@@H]1CCCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1 ZINC001473687663 1060713198 /nfs/dbraw/zinc/71/31/98/1060713198.db2.gz ICJUELWHOQVVHI-XQJDBVBESA-N -1 3 311.389 2.485 20 30 DEEDHM C=CCn1cc(CNC(=O)c2cc([O-])c3ccccc3c2)nn1 ZINC001630446142 1078341176 /nfs/dbraw/zinc/34/11/76/1078341176.db2.gz VVTKJNFFDMRJGH-UHFFFAOYSA-N -1 3 308.341 2.253 20 30 DEEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001515032893 1068827780 /nfs/dbraw/zinc/82/77/80/1068827780.db2.gz YKWUAWQMFJVTFI-NXEZZACHSA-N -1 3 319.800 2.139 20 30 DEEDHM C=C(C)Cn1c(-c2n[n-]c(Cl)n2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001515032893 1068827793 /nfs/dbraw/zinc/82/77/93/1068827793.db2.gz YKWUAWQMFJVTFI-NXEZZACHSA-N -1 3 319.800 2.139 20 30 DEEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001515692105 1068894209 /nfs/dbraw/zinc/89/42/09/1068894209.db2.gz ZYXGDWRPHZOFEC-MNOVXSKESA-N -1 3 303.366 2.450 20 30 DEEDHM CCn1ncc(Cl)c1C([O-])=C(C#N)c1ncc(Cl)n1C ZINC001649247679 1078954102 /nfs/dbraw/zinc/95/41/02/1078954102.db2.gz IFZATFUPQLVUDC-SSDOTTSWSA-N -1 3 312.160 2.433 20 30 DEEDHM C#C[C@@H](NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O)C(C)C ZINC001556405879 1075030118 /nfs/dbraw/zinc/03/01/18/1075030118.db2.gz KTOSTCFCOQHRJK-CYBMUJFWSA-N -1 3 304.296 2.194 20 30 DEEDHM C=C[C@](C)(O)CC(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC001558739627 1075104100 /nfs/dbraw/zinc/10/41/00/1075104100.db2.gz FKUJYTVOTFUCIT-INIZCTEOSA-N -1 3 317.345 2.005 20 30 DEEDHM COc1cc(CNCC2(C#N)CCCC2)c([N+](=O)[O-])cc1[O-] ZINC001560616896 1075143309 /nfs/dbraw/zinc/14/33/09/1075143309.db2.gz VEBIHYIWUKOUQD-UHFFFAOYSA-N -1 3 305.334 2.483 20 30 DEEDHM N#CCCCOc1cccc(Nc2ncncc2-c2nnn[n-]2)c1 ZINC001581857584 1076104652 /nfs/dbraw/zinc/10/46/52/1076104652.db2.gz DXSBUBGHCVUVRP-UHFFFAOYSA-N -1 3 322.332 2.083 20 30 DEEDHM C#C[C@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1)C(C)(C)C ZINC001588329846 1076440684 /nfs/dbraw/zinc/44/06/84/1076440684.db2.gz PDGJSZPWELLPDS-ZDUSSCGKSA-N -1 3 311.389 2.261 20 30 DEEDHM C#C[C@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1)C(C)(C)C ZINC001588329846 1076440687 /nfs/dbraw/zinc/44/06/87/1076440687.db2.gz PDGJSZPWELLPDS-ZDUSSCGKSA-N -1 3 311.389 2.261 20 30 DEEDHM C#CC1(NC(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)CCCC1 ZINC001588333214 1076441394 /nfs/dbraw/zinc/44/13/94/1076441394.db2.gz GTWHVQICGDKQHP-UHFFFAOYSA-N -1 3 309.373 2.159 20 30 DEEDHM C#CC1(NC(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)CCCC1 ZINC001588333214 1076441397 /nfs/dbraw/zinc/44/13/97/1076441397.db2.gz GTWHVQICGDKQHP-UHFFFAOYSA-N -1 3 309.373 2.159 20 30 DEEDHM C#CCCNc1cnn(-c2cccc(-c3nnn[n-]3)c2)c1CCC ZINC001588347815 1076443501 /nfs/dbraw/zinc/44/35/01/1076443501.db2.gz ZFMAJIKQDMOVLH-UHFFFAOYSA-N -1 3 321.388 2.440 20 30 DEEDHM C#CCCNc1cnn(-c2cccc(-c3nn[n-]n3)c2)c1CCC ZINC001588347815 1076443505 /nfs/dbraw/zinc/44/35/05/1076443505.db2.gz ZFMAJIKQDMOVLH-UHFFFAOYSA-N -1 3 321.388 2.440 20 30 DEEDHM C#CCOc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588363193 1076443563 /nfs/dbraw/zinc/44/35/63/1076443563.db2.gz PYSFHFHEWWLPER-UHFFFAOYSA-N -1 3 319.324 2.131 20 30 DEEDHM C#CCOc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588363193 1076443565 /nfs/dbraw/zinc/44/35/65/1076443565.db2.gz PYSFHFHEWWLPER-UHFFFAOYSA-N -1 3 319.324 2.131 20 30 DEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001588442085 1076448735 /nfs/dbraw/zinc/44/87/35/1076448735.db2.gz GBIXRQGNZNSBFV-JSGCOSHPSA-N -1 3 313.361 2.095 20 30 DEEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001588442085 1076448738 /nfs/dbraw/zinc/44/87/38/1076448738.db2.gz GBIXRQGNZNSBFV-JSGCOSHPSA-N -1 3 313.361 2.095 20 30 DEEDHM C=C1CN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC001588462390 1076449408 /nfs/dbraw/zinc/44/94/08/1076449408.db2.gz FUVQSIFKVWETAW-UHFFFAOYSA-N -1 3 324.266 2.289 20 30 DEEDHM C=C1CN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC001588462390 1076449409 /nfs/dbraw/zinc/44/94/09/1076449409.db2.gz FUVQSIFKVWETAW-UHFFFAOYSA-N -1 3 324.266 2.289 20 30 DEEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001588455977 1076449442 /nfs/dbraw/zinc/44/94/42/1076449442.db2.gz FNCITWRBQMFAIW-PHIMTYICSA-N -1 3 301.375 2.251 20 30 DEEDHM C=C1CCN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588462959 1076449463 /nfs/dbraw/zinc/44/94/63/1076449463.db2.gz VFJCDIXKZMZUBM-GFCCVEGCSA-N -1 3 312.377 2.289 20 30 DEEDHM C=C1CCN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588462959 1076449464 /nfs/dbraw/zinc/44/94/64/1076449464.db2.gz VFJCDIXKZMZUBM-GFCCVEGCSA-N -1 3 312.377 2.289 20 30 DEEDHM C=CC(C)(C)CNC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588488876 1076450120 /nfs/dbraw/zinc/45/01/20/1076450120.db2.gz PTRMUYNBFLUGCP-UHFFFAOYSA-N -1 3 320.422 2.282 20 30 DEEDHM C=CC(C)(C)CNC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588488876 1076450122 /nfs/dbraw/zinc/45/01/22/1076450122.db2.gz PTRMUYNBFLUGCP-UHFFFAOYSA-N -1 3 320.422 2.282 20 30 DEEDHM C=CCC1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CCC1 ZINC001588556085 1076454254 /nfs/dbraw/zinc/45/42/54/1076454254.db2.gz CFXKQFZKOUUDJF-UHFFFAOYSA-N -1 3 308.345 2.423 20 30 DEEDHM C=CCC1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CCC1 ZINC001588556085 1076454260 /nfs/dbraw/zinc/45/42/60/1076454260.db2.gz CFXKQFZKOUUDJF-UHFFFAOYSA-N -1 3 308.345 2.423 20 30 DEEDHM C=CCCC(=O)COC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588563769 1076455312 /nfs/dbraw/zinc/45/53/12/1076455312.db2.gz AUNUWCCRQDXKCL-UHFFFAOYSA-N -1 3 320.736 2.212 20 30 DEEDHM C=CCCC(=O)COC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588563769 1076455313 /nfs/dbraw/zinc/45/53/13/1076455313.db2.gz AUNUWCCRQDXKCL-UHFFFAOYSA-N -1 3 320.736 2.212 20 30 DEEDHM C=CCCC[C@H](C)NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588593965 1076456377 /nfs/dbraw/zinc/45/63/77/1076456377.db2.gz JGLZRZPEWVQXLU-NSHDSACASA-N -1 3 300.366 2.045 20 30 DEEDHM C=CCCC[C@H](C)NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588593965 1076456378 /nfs/dbraw/zinc/45/63/78/1076456378.db2.gz JGLZRZPEWVQXLU-NSHDSACASA-N -1 3 300.366 2.045 20 30 DEEDHM C=CCCCCS(=O)(=O)Cc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588601930 1076457314 /nfs/dbraw/zinc/45/73/14/1076457314.db2.gz WTALMLMXDUIQEP-UHFFFAOYSA-N -1 3 320.418 2.446 20 30 DEEDHM C=CCCCCS(=O)(=O)Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588601930 1076457315 /nfs/dbraw/zinc/45/73/15/1076457315.db2.gz WTALMLMXDUIQEP-UHFFFAOYSA-N -1 3 320.418 2.446 20 30 DEEDHM C=CCONC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588689598 1076460569 /nfs/dbraw/zinc/46/05/69/1076460569.db2.gz NZFGOWDEAGKSJH-UHFFFAOYSA-N -1 3 315.358 2.237 20 30 DEEDHM C=CCONC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588689598 1076460574 /nfs/dbraw/zinc/46/05/74/1076460574.db2.gz NZFGOWDEAGKSJH-UHFFFAOYSA-N -1 3 315.358 2.237 20 30 DEEDHM C=CCO[C@H]1CCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC001588665381 1076460791 /nfs/dbraw/zinc/46/07/91/1076460791.db2.gz KETKCKQSLDDBMN-JTQLQIEISA-N -1 3 305.769 2.301 20 30 DEEDHM C=CCO[C@H]1CCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC001588665381 1076460796 /nfs/dbraw/zinc/46/07/96/1076460796.db2.gz KETKCKQSLDDBMN-JTQLQIEISA-N -1 3 305.769 2.301 20 30 DEEDHM C=CCOCCCC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001588682721 1076460978 /nfs/dbraw/zinc/46/09/78/1076460978.db2.gz QSMFIHBHSFPHCE-UHFFFAOYSA-N -1 3 301.350 2.096 20 30 DEEDHM C=CCOCCCC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001588682721 1076460981 /nfs/dbraw/zinc/46/09/81/1076460981.db2.gz QSMFIHBHSFPHCE-UHFFFAOYSA-N -1 3 301.350 2.096 20 30 DEEDHM CC#CCCCC(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC001588746234 1076461671 /nfs/dbraw/zinc/46/16/71/1076461671.db2.gz OOWSSAHNKUDPLU-UHFFFAOYSA-N -1 3 314.345 2.112 20 30 DEEDHM CC#CCCCC(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC001588746234 1076461674 /nfs/dbraw/zinc/46/16/74/1076461674.db2.gz OOWSSAHNKUDPLU-UHFFFAOYSA-N -1 3 314.345 2.112 20 30 DEEDHM Cc1cc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)no1 ZINC001588777382 1076465566 /nfs/dbraw/zinc/46/55/66/1076465566.db2.gz QTCVLBQWNDTHHM-UHFFFAOYSA-N -1 3 318.728 2.048 20 30 DEEDHM Cc1cc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)no1 ZINC001588777382 1076465568 /nfs/dbraw/zinc/46/55/68/1076465568.db2.gz QTCVLBQWNDTHHM-UHFFFAOYSA-N -1 3 318.728 2.048 20 30 DEEDHM C[C@@H](COc1ccccc1)NN=Cc1ccccc1-c1nnn[n-]1 ZINC001589884785 1076524043 /nfs/dbraw/zinc/52/40/43/1076524043.db2.gz HVQASQKLBLVODF-ZDUSSCGKSA-N -1 3 322.372 2.258 20 30 DEEDHM C[C@@H](COc1ccccc1)NN=Cc1ccccc1-c1nn[n-]n1 ZINC001589884785 1076524047 /nfs/dbraw/zinc/52/40/47/1076524047.db2.gz HVQASQKLBLVODF-ZDUSSCGKSA-N -1 3 322.372 2.258 20 30 DEEDHM C[C@@H](NN=C1CCCc2cc(-c3nnn[n-]3)cnc21)C(C)(C)C ZINC001589976851 1076541888 /nfs/dbraw/zinc/54/18/88/1076541888.db2.gz OUKHPCVFPNKGNH-SNVBAGLBSA-N -1 3 313.409 2.326 20 30 DEEDHM C[C@@H](NN=C1CCCc2cc(-c3nn[n-]n3)cnc21)C(C)(C)C ZINC001589976851 1076541893 /nfs/dbraw/zinc/54/18/93/1076541893.db2.gz OUKHPCVFPNKGNH-SNVBAGLBSA-N -1 3 313.409 2.326 20 30 DEEDHM C[C@H](ON=C(N)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC001590018941 1076547507 /nfs/dbraw/zinc/54/75/07/1076547507.db2.gz BFKDPXCAJGSEBX-VIFPVBQESA-N -1 3 314.374 2.326 20 30 DEEDHM C[C@H](ON=C(N)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC001590018941 1076547511 /nfs/dbraw/zinc/54/75/11/1076547511.db2.gz BFKDPXCAJGSEBX-VIFPVBQESA-N -1 3 314.374 2.326 20 30 DEEDHM CC[C@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@H](CC)O1 ZINC001590522607 1076646517 /nfs/dbraw/zinc/64/65/17/1076646517.db2.gz RKNGDDWEZPVFTQ-STQMWFEESA-N -1 3 312.377 2.132 20 30 DEEDHM CC[C@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@H](CC)O1 ZINC001590522607 1076646520 /nfs/dbraw/zinc/64/65/20/1076646520.db2.gz RKNGDDWEZPVFTQ-STQMWFEESA-N -1 3 312.377 2.132 20 30 DEEDHM CCc1nc(C#N)cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC001590908834 1076692253 /nfs/dbraw/zinc/69/22/53/1076692253.db2.gz AKPOKVARXHZXDH-SNVBAGLBSA-N -1 3 320.360 2.264 20 30 DEEDHM CCc1nc(C#N)cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC001590908834 1076692254 /nfs/dbraw/zinc/69/22/54/1076692254.db2.gz AKPOKVARXHZXDH-SNVBAGLBSA-N -1 3 320.360 2.264 20 30 DEEDHM CN(C(=O)CCCCC#N)c1ccc(-c2nnn[n-]2)cc1F ZINC001590981450 1076700456 /nfs/dbraw/zinc/70/04/56/1076700456.db2.gz UWIOFODOVGXEBW-UHFFFAOYSA-N -1 3 302.313 2.053 20 30 DEEDHM CN(C(=O)CCCCC#N)c1ccc(-c2nn[n-]n2)cc1F ZINC001590981450 1076700460 /nfs/dbraw/zinc/70/04/60/1076700460.db2.gz UWIOFODOVGXEBW-UHFFFAOYSA-N -1 3 302.313 2.053 20 30 DEEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)CCCCCC#N ZINC001591129520 1076710912 /nfs/dbraw/zinc/71/09/12/1076710912.db2.gz VZUAJZZUBWCUJK-UHFFFAOYSA-N -1 3 318.406 2.361 20 30 DEEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)CCCCCC#N ZINC001591129520 1076710914 /nfs/dbraw/zinc/71/09/14/1076710914.db2.gz VZUAJZZUBWCUJK-UHFFFAOYSA-N -1 3 318.406 2.361 20 30 DEEDHM CNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591225690 1076717303 /nfs/dbraw/zinc/71/73/03/1076717303.db2.gz YYEDHZYXEPJAGJ-UHFFFAOYSA-N -1 3 319.328 2.032 20 30 DEEDHM CNc1ccc(C#N)cc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591225690 1076717306 /nfs/dbraw/zinc/71/73/06/1076717306.db2.gz YYEDHZYXEPJAGJ-UHFFFAOYSA-N -1 3 319.328 2.032 20 30 DEEDHM COCc1cc(-c2nn[n-]n2)ccc1N1CCC[C@@](C)(C#N)C1 ZINC001591454981 1076744753 /nfs/dbraw/zinc/74/47/53/1076744753.db2.gz LFSMKUHJIOEANZ-INIZCTEOSA-N -1 3 312.377 2.143 20 30 DEEDHM Cc1c(C#N)cccc1C(=O)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001591801336 1076785877 /nfs/dbraw/zinc/78/58/77/1076785877.db2.gz 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1076875395 /nfs/dbraw/zinc/87/53/95/1076875395.db2.gz HFFGEOHDLZQTQE-INIZCTEOSA-N -1 3 323.335 2.165 20 30 DEEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(N3CC[C@](F)(C#N)C3)c2c1 ZINC001592207536 1076875399 /nfs/dbraw/zinc/87/53/99/1076875399.db2.gz HFFGEOHDLZQTQE-INIZCTEOSA-N -1 3 323.335 2.165 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC/C=C/c1ccccc1 ZINC001592340506 1076901135 /nfs/dbraw/zinc/90/11/35/1076901135.db2.gz GTWPORZRRLRBAP-WEVVVXLNSA-N -1 3 305.345 2.347 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC/C=C/c1ccccc1 ZINC001592340506 1076901139 /nfs/dbraw/zinc/90/11/39/1076901139.db2.gz GTWPORZRRLRBAP-WEVVVXLNSA-N -1 3 305.345 2.347 20 30 DEEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCC2(C#N)CCCC2)n1 ZINC001592353247 1076901609 /nfs/dbraw/zinc/90/16/09/1076901609.db2.gz KVFPKLSSNBUKEV-UHFFFAOYSA-N -1 3 315.406 2.450 20 30 DEEDHM Cc1nc(C)c(-c2nn[n-]n2)c(SCC2(C#N)CCCC2)n1 ZINC001592353247 1076901612 /nfs/dbraw/zinc/90/16/12/1076901612.db2.gz KVFPKLSSNBUKEV-UHFFFAOYSA-N -1 3 315.406 2.450 20 30 DEEDHM FC(F)(F)c1cc(-c2nnn[n-]2)ccc1N=NC1CCOC1 ZINC001592619639 1076933504 /nfs/dbraw/zinc/93/35/04/1076933504.db2.gz JAGJAGXEVLLBAE-UHFFFAOYSA-N -1 3 312.255 2.074 20 30 DEEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1N=NC1CCOC1 ZINC001592619639 1076933505 /nfs/dbraw/zinc/93/35/05/1076933505.db2.gz JAGJAGXEVLLBAE-UHFFFAOYSA-N -1 3 312.255 2.074 20 30 DEEDHM Fc1ccc2c(c1)C(=NNc1cccc(-c3nnn[n-]3)c1)CO2 ZINC001592652931 1076945263 /nfs/dbraw/zinc/94/52/63/1076945263.db2.gz AWZKMUOXAJLVMG-UHFFFAOYSA-N -1 3 310.292 2.214 20 30 DEEDHM Fc1ccc2c(c1)C(=NNc1cccc(-c3nn[n-]n3)c1)CO2 ZINC001592652931 1076945266 /nfs/dbraw/zinc/94/52/66/1076945266.db2.gz AWZKMUOXAJLVMG-UHFFFAOYSA-N -1 3 310.292 2.214 20 30 DEEDHM N#C[C@H]1CC[C@H](OC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001592672958 1076950273 /nfs/dbraw/zinc/95/02/73/1076950273.db2.gz RRKXWUHSTCLYIF-FZMZJTMJSA-N -1 3 323.356 2.134 20 30 DEEDHM N#C[C@H]1CC[C@H](OC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001592672958 1076950277 /nfs/dbraw/zinc/95/02/77/1076950277.db2.gz RRKXWUHSTCLYIF-FZMZJTMJSA-N -1 3 323.356 2.134 20 30 DEEDHM N#CCC1(OC(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001592673236 1076950779 /nfs/dbraw/zinc/95/07/79/1076950779.db2.gz BPGZSQYFGYXKKE-UONOGXRCSA-N -1 3 323.356 2.350 20 30 DEEDHM N#CCC1(OC(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001592673236 1076950784 /nfs/dbraw/zinc/95/07/84/1076950784.db2.gz BPGZSQYFGYXKKE-UONOGXRCSA-N -1 3 323.356 2.350 20 30 DEEDHM N#CCc1ccc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001592680358 1076951535 /nfs/dbraw/zinc/95/15/35/1076951535.db2.gz XQYOJICKJXIQMP-UHFFFAOYSA-N -1 3 322.303 2.324 20 30 DEEDHM N#CCc1ccc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001592680358 1076951537 /nfs/dbraw/zinc/95/15/37/1076951537.db2.gz XQYOJICKJXIQMP-UHFFFAOYSA-N -1 3 322.303 2.324 20 30 DEEDHM N#CCN(Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F)C1CC1 ZINC001592677364 1076951982 /nfs/dbraw/zinc/95/19/82/1076951982.db2.gz KDHFIVUIBMQBQR-UHFFFAOYSA-N -1 3 322.294 2.373 20 30 DEEDHM N#CCN(Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F)C1CC1 ZINC001592677364 1076951987 /nfs/dbraw/zinc/95/19/87/1076951987.db2.gz KDHFIVUIBMQBQR-UHFFFAOYSA-N -1 3 322.294 2.373 20 30 DEEDHM N#CC[C@@H]1CC[C@H](NC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC001592682199 1076952369 /nfs/dbraw/zinc/95/23/69/1076952369.db2.gz QPTZJHLWMJPHGW-TUPWZPNASA-N -1 3 322.372 2.078 20 30 DEEDHM N#CC[C@@H]1CC[C@H](NC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC001592682199 1076952372 /nfs/dbraw/zinc/95/23/72/1076952372.db2.gz QPTZJHLWMJPHGW-TUPWZPNASA-N -1 3 322.372 2.078 20 30 DEEDHM N#CCc1cccc(C(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC001592680165 1076952519 /nfs/dbraw/zinc/95/25/19/1076952519.db2.gz PTHTZEKXBVCPOR-UHFFFAOYSA-N -1 3 310.342 2.247 20 30 DEEDHM N#CCc1cccc(C(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC001592680165 1076952524 /nfs/dbraw/zinc/95/25/24/1076952524.db2.gz PTHTZEKXBVCPOR-UHFFFAOYSA-N -1 3 310.342 2.247 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2ccc(F)cc2C1 ZINC001592698860 1076954423 /nfs/dbraw/zinc/95/44/23/1076954423.db2.gz KULLDRUDRZIAEB-UHFFFAOYSA-N -1 3 320.331 2.440 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2ccc(F)cc2C1 ZINC001592698860 1076954427 /nfs/dbraw/zinc/95/44/27/1076954427.db2.gz KULLDRUDRZIAEB-UHFFFAOYSA-N -1 3 320.331 2.440 20 30 DEEDHM N#Cc1cccc(C=C2C(=O)Nc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001592701951 1076955854 /nfs/dbraw/zinc/95/58/54/1076955854.db2.gz MICGUBPEZGXJHB-AUWJEWJLSA-N -1 3 314.308 2.231 20 30 DEEDHM N#Cc1cccc(C=C2C(=O)Nc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001592701951 1076955857 /nfs/dbraw/zinc/95/58/57/1076955857.db2.gz MICGUBPEZGXJHB-AUWJEWJLSA-N -1 3 314.308 2.231 20 30 DEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccnc(F)c1 ZINC001592792283 1076960311 /nfs/dbraw/zinc/96/03/11/1076960311.db2.gz YYWHANGKAMESKL-HNQUOIGGSA-N -1 3 301.306 2.358 20 30 DEEDHM O=C(C=NOCc1cccc(-c2nnn[n-]2)c1)Nc1ccccc1 ZINC001592804417 1076961042 /nfs/dbraw/zinc/96/10/42/1076961042.db2.gz YUFUJRVGSDQCKV-UHFFFAOYSA-N -1 3 322.328 2.008 20 30 DEEDHM O=C(C=NOCc1cccc(-c2nn[n-]n2)c1)Nc1ccccc1 ZINC001592804417 1076961045 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C=C(C)CCNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609051396 1077748341 /nfs/dbraw/zinc/74/83/41/1077748341.db2.gz XZEJZVNXDJCRAV-LLVKDONJSA-N -1 3 300.366 2.193 20 30 DEEDHM C=C(C)CCNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609051396 1077748348 /nfs/dbraw/zinc/74/83/48/1077748348.db2.gz XZEJZVNXDJCRAV-LLVKDONJSA-N -1 3 300.366 2.193 20 30 DEEDHM CC#CCCCC(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001609059807 1077752689 /nfs/dbraw/zinc/75/26/89/1077752689.db2.gz LCADBUWEYGGLLY-UHFFFAOYSA-N -1 3 309.373 2.340 20 30 DEEDHM CC#CCCCC(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001609059807 1077752694 /nfs/dbraw/zinc/75/26/94/1077752694.db2.gz LCADBUWEYGGLLY-UHFFFAOYSA-N -1 3 309.373 2.340 20 30 DEEDHM CC(C)ON=Cc1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001609101985 1077763080 /nfs/dbraw/zinc/76/30/80/1077763080.db2.gz YALBAHYAUXXJCB-UHFFFAOYSA-N -1 3 310.361 2.475 20 30 DEEDHM CC(C)ON=Cc1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001609101985 1077763083 /nfs/dbraw/zinc/76/30/83/1077763083.db2.gz YALBAHYAUXXJCB-UHFFFAOYSA-N -1 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/nfs/dbraw/zinc/10/54/30/1076105430.db2.gz YPSFZEYIPRSYDI-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1cccc2c1CCN2C(=O)c1cscc1-c1nnn[n-]1 ZINC001581875613 1076106857 /nfs/dbraw/zinc/10/68/57/1076106857.db2.gz HYUKJKZUNMHOKS-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM N#Cc1cccc2c1CCN2C(=O)c1cscc1-c1nn[n-]n1 ZINC001581875613 1076106859 /nfs/dbraw/zinc/10/68/59/1076106859.db2.gz HYUKJKZUNMHOKS-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM C=C[C@H](C)[C@H](C)C(=O)NC/C=C\CNC(=O)c1ccccc1[O-] ZINC001583075260 1076238343 /nfs/dbraw/zinc/23/83/43/1076238343.db2.gz XMUIORCEBHKINX-XQYKZARXSA-N -1 3 316.401 2.253 20 30 DEEDHM Cc1ccc(C#N)cc1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001587623191 1076423657 /nfs/dbraw/zinc/42/36/57/1076423657.db2.gz RUPLNZGAXWAXTC-UHFFFAOYSA-N -1 3 304.313 2.299 20 30 DEEDHM Cc1ccc(C#N)cc1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001587623191 1076423661 /nfs/dbraw/zinc/42/36/61/1076423661.db2.gz RUPLNZGAXWAXTC-UHFFFAOYSA-N -1 3 304.313 2.299 20 30 DEEDHM C#C[C@](C)(CC)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588325513 1076439676 /nfs/dbraw/zinc/43/96/76/1076439676.db2.gz NHFZCZAVOYUDRO-CQSZACIVSA-N -1 3 318.768 2.444 20 30 DEEDHM C#C[C@](C)(CC)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588325513 1076439679 /nfs/dbraw/zinc/43/96/79/1076439679.db2.gz NHFZCZAVOYUDRO-CQSZACIVSA-N -1 3 318.768 2.444 20 30 DEEDHM C#C[C@H](CCC)NC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588327407 1076439801 /nfs/dbraw/zinc/43/98/01/1076439801.db2.gz INLKEABLDLPJGC-SMDDNHRTSA-N -1 3 312.377 2.029 20 30 DEEDHM C#C[C@H](CCC)NC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588327407 1076439802 /nfs/dbraw/zinc/43/98/02/1076439802.db2.gz INLKEABLDLPJGC-SMDDNHRTSA-N -1 3 312.377 2.029 20 30 DEEDHM C#CC1(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CCCC1 ZINC001588333002 1076440580 /nfs/dbraw/zinc/44/05/80/1076440580.db2.gz AOJGMQRLTYETHA-UHFFFAOYSA-N -1 3 314.324 2.073 20 30 DEEDHM C#CC1(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)CCCC1 ZINC001588333002 1076440581 /nfs/dbraw/zinc/44/05/81/1076440581.db2.gz AOJGMQRLTYETHA-UHFFFAOYSA-N -1 3 314.324 2.073 20 30 DEEDHM C#C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588332677 1076440700 /nfs/dbraw/zinc/44/07/00/1076440700.db2.gz PHXVLCREBMYHKU-LLVKDONJSA-N -1 3 315.764 2.148 20 30 DEEDHM C#C[C@@H]1CCCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588332677 1076440703 /nfs/dbraw/zinc/44/07/03/1076440703.db2.gz PHXVLCREBMYHKU-LLVKDONJSA-N -1 3 315.764 2.148 20 30 DEEDHM C#CCC(C)(C)COC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588332198 1076441401 /nfs/dbraw/zinc/44/14/01/1076441401.db2.gz WWJVXGPNLCGQJV-UHFFFAOYSA-N -1 3 302.309 2.212 20 30 DEEDHM C#CCC(C)(C)COC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001588332198 1076441402 /nfs/dbraw/zinc/44/14/02/1076441402.db2.gz WWJVXGPNLCGQJV-UHFFFAOYSA-N -1 3 302.309 2.212 20 30 DEEDHM C#CCCOC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588346645 1076443556 /nfs/dbraw/zinc/44/35/56/1076443556.db2.gz FBNSFYMHTMDPRB-GFCCVEGCSA-N -1 3 313.361 2.410 20 30 DEEDHM C#CCCOC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588346645 1076443558 /nfs/dbraw/zinc/44/35/58/1076443558.db2.gz FBNSFYMHTMDPRB-GFCCVEGCSA-N -1 3 313.361 2.410 20 30 DEEDHM C#Cc1cncc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC001588379831 1076444372 /nfs/dbraw/zinc/44/43/72/1076444372.db2.gz OBHIUMKFLOWGIS-NSHDSACASA-N -1 3 319.324 2.161 20 30 DEEDHM C#Cc1cncc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC001588379831 1076444377 /nfs/dbraw/zinc/44/43/77/1076444377.db2.gz OBHIUMKFLOWGIS-NSHDSACASA-N -1 3 319.324 2.161 20 30 DEEDHM C#Cc1cccc(N(CC)Cc2ccc(-c3nnn[n-]3)cn2)c1 ZINC001588374699 1076444455 /nfs/dbraw/zinc/44/44/55/1076444455.db2.gz JODDJAHIFWAXIU-UHFFFAOYSA-N -1 3 304.357 2.270 20 30 DEEDHM C#Cc1cccc(N(CC)Cc2ccc(-c3nn[n-]n3)cn2)c1 ZINC001588374699 1076444456 /nfs/dbraw/zinc/44/44/56/1076444456.db2.gz JODDJAHIFWAXIU-UHFFFAOYSA-N -1 3 304.357 2.270 20 30 DEEDHM C=C(Br)CNc1nc2c(cc1-c1nnn[n-]1)CCC2 ZINC001588392422 1076446282 /nfs/dbraw/zinc/44/62/82/1076446282.db2.gz ZLHUPBMSIGXSIE-UHFFFAOYSA-N -1 3 321.182 2.071 20 30 DEEDHM C=C(Br)CNc1nc2c(cc1-c1nn[n-]n1)CCC2 ZINC001588392422 1076446284 /nfs/dbraw/zinc/44/62/84/1076446284.db2.gz ZLHUPBMSIGXSIE-UHFFFAOYSA-N -1 3 321.182 2.071 20 30 DEEDHM C=C1CCN(C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588462330 1076449480 /nfs/dbraw/zinc/44/94/80/1076449480.db2.gz CYECTMDUIYKUIV-GFCCVEGCSA-N -1 3 312.377 2.289 20 30 DEEDHM C=C1CCN(C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588462330 1076449481 /nfs/dbraw/zinc/44/94/81/1076449481.db2.gz CYECTMDUIYKUIV-GFCCVEGCSA-N -1 3 312.377 2.289 20 30 DEEDHM C=CC[C@@H](CC)NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588541731 1076453094 /nfs/dbraw/zinc/45/30/94/1076453094.db2.gz RCJTVFNIQJOBAK-CQSZACIVSA-N -1 3 311.389 2.369 20 30 DEEDHM C=CC[C@@H](CC)NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588541731 1076453097 /nfs/dbraw/zinc/45/30/97/1076453097.db2.gz RCJTVFNIQJOBAK-CQSZACIVSA-N -1 3 311.389 2.369 20 30 DEEDHM C=CCC1(C(=O)NCCc2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001588554138 1076453482 /nfs/dbraw/zinc/45/34/82/1076453482.db2.gz XWBGWZBICNZRKA-UHFFFAOYSA-N -1 3 311.389 2.272 20 30 DEEDHM C=CCC1(C(=O)NCCc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001588554138 1076453486 /nfs/dbraw/zinc/45/34/86/1076453486.db2.gz XWBGWZBICNZRKA-UHFFFAOYSA-N -1 3 311.389 2.272 20 30 DEEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588564059 1076454898 /nfs/dbraw/zinc/45/48/98/1076454898.db2.gz ILDKXAQYJDNDKJ-JTQLQIEISA-N -1 3 302.313 2.188 20 30 DEEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588564059 1076454900 /nfs/dbraw/zinc/45/49/00/1076454900.db2.gz ILDKXAQYJDNDKJ-JTQLQIEISA-N -1 3 302.313 2.188 20 30 DEEDHM C=CC[C@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588559945 1076455022 /nfs/dbraw/zinc/45/50/22/1076455022.db2.gz MFGHKSIXYWIEKC-SMDDNHRTSA-N -1 3 315.377 2.497 20 30 DEEDHM C=CC[C@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588559945 1076455027 /nfs/dbraw/zinc/45/50/27/1076455027.db2.gz MFGHKSIXYWIEKC-SMDDNHRTSA-N -1 3 315.377 2.497 20 30 DEEDHM C=CC[C@H]1N(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1(C)C ZINC001588563792 1076455101 /nfs/dbraw/zinc/45/51/01/1076455101.db2.gz BGQWZGMUBUGURR-CYBMUJFWSA-N -1 3 314.393 2.402 20 30 DEEDHM C=CC[C@H]1N(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1(C)C ZINC001588563792 1076455103 /nfs/dbraw/zinc/45/51/03/1076455103.db2.gz BGQWZGMUBUGURR-CYBMUJFWSA-N -1 3 314.393 2.402 20 30 DEEDHM C=CCCCCCNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001588596450 1076457299 /nfs/dbraw/zinc/45/72/99/1076457299.db2.gz QRCPFSCUFAZKDN-UHFFFAOYSA-N -1 3 315.377 2.108 20 30 DEEDHM C=CCCCCCNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001588596450 1076457300 /nfs/dbraw/zinc/45/73/00/1076457300.db2.gz QRCPFSCUFAZKDN-UHFFFAOYSA-N -1 3 315.377 2.108 20 30 DEEDHM C=CCN(CC=C)C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588631829 1076458618 /nfs/dbraw/zinc/45/86/18/1076458618.db2.gz MZEONWHKWYNWRN-UHFFFAOYSA-N -1 3 309.373 2.099 20 30 DEEDHM C=CCN(CC=C)C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588631829 1076458622 /nfs/dbraw/zinc/45/86/22/1076458622.db2.gz MZEONWHKWYNWRN-UHFFFAOYSA-N -1 3 309.373 2.099 20 30 DEEDHM C=CCO[C@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC001588666037 1076461008 /nfs/dbraw/zinc/46/10/08/1076461008.db2.gz XRSQCRIUEBZIRF-AWEZNQCLSA-N -1 3 322.372 2.196 20 30 DEEDHM C=CCO[C@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC001588666037 1076461010 /nfs/dbraw/zinc/46/10/10/1076461010.db2.gz XRSQCRIUEBZIRF-AWEZNQCLSA-N -1 3 322.372 2.196 20 30 DEEDHM C[C@@H](C#N)CN(Cc1cc(-c2nnn[n-]2)cnc1Cl)C1CC1 ZINC001588934020 1076470094 /nfs/dbraw/zinc/47/00/94/1076470094.db2.gz DAOVGLGXUMGWSP-VIFPVBQESA-N -1 3 317.784 2.039 20 30 DEEDHM C[C@@H](C#N)CN(Cc1cc(-c2nn[n-]n2)cnc1Cl)C1CC1 ZINC001588934020 1076470096 /nfs/dbraw/zinc/47/00/96/1076470096.db2.gz DAOVGLGXUMGWSP-VIFPVBQESA-N -1 3 317.784 2.039 20 30 DEEDHM CC(C)(C)n1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001589258714 1076482544 /nfs/dbraw/zinc/48/25/44/1076482544.db2.gz IIVDSUMSZWAEHD-CMDGGOBGSA-N -1 3 323.360 2.109 20 30 DEEDHM CC(C)(C)n1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001589258714 1076482546 /nfs/dbraw/zinc/48/25/46/1076482546.db2.gz IIVDSUMSZWAEHD-CMDGGOBGSA-N -1 3 323.360 2.109 20 30 DEEDHM CCN(C)c1ccc(C=[NH+][N-]c2cccc(-c3nnn[n-]3)c2)cn1 ZINC001590679160 1076667806 /nfs/dbraw/zinc/66/78/06/1076667806.db2.gz WVMXVWMHIHOXRL-UHFFFAOYSA-N -1 3 322.376 2.164 20 30 DEEDHM CCN(C)c1ccc(C=[NH+][N-]c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001590679160 1076667809 /nfs/dbraw/zinc/66/78/09/1076667809.db2.gz WVMXVWMHIHOXRL-UHFFFAOYSA-N -1 3 322.376 2.164 20 30 DEEDHM COC(=O)c1coc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001591305747 1076719508 /nfs/dbraw/zinc/71/95/08/1076719508.db2.gz GDQKQUZNCAQUOK-WAYWQWQTSA-N -1 3 324.296 2.142 20 30 DEEDHM COC(=O)c1coc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001591305747 1076719510 /nfs/dbraw/zinc/71/95/10/1076719510.db2.gz GDQKQUZNCAQUOK-WAYWQWQTSA-N -1 3 324.296 2.142 20 30 DEEDHM COCC1CCC(=NNCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591393131 1076740330 /nfs/dbraw/zinc/74/03/30/1076740330.db2.gz YYYUPGQHRLIZRB-UHFFFAOYSA-N -1 3 314.393 2.149 20 30 DEEDHM COCC1CCC(=NNCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591393131 1076740332 /nfs/dbraw/zinc/74/03/32/1076740332.db2.gz YYYUPGQHRLIZRB-UHFFFAOYSA-N -1 3 314.393 2.149 20 30 DEEDHM COc1cc(CNc2cccc(F)c2C#N)ccc1-c1nnn[n-]1 ZINC001591535347 1076755317 /nfs/dbraw/zinc/75/53/17/1076755317.db2.gz DDYFEBJSFJZVCD-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1cc(CNc2cccc(F)c2C#N)ccc1-c1nn[n-]n1 ZINC001591535347 1076755320 /nfs/dbraw/zinc/75/53/20/1076755320.db2.gz DDYFEBJSFJZVCD-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1ccc(C=NN[C@@H]2CCCC2(C)C)cc1-c1nnn[n-]1 ZINC001591582219 1076760407 /nfs/dbraw/zinc/76/04/07/1076760407.db2.gz BBLUHXPQTNWDKC-CQSZACIVSA-N -1 3 314.393 2.378 20 30 DEEDHM COc1ccc(C=NN[C@@H]2CCCC2(C)C)cc1-c1nn[n-]n1 ZINC001591582219 1076760412 /nfs/dbraw/zinc/76/04/12/1076760412.db2.gz BBLUHXPQTNWDKC-CQSZACIVSA-N -1 3 314.393 2.378 20 30 DEEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@](C)(C#N)C1 ZINC001592241922 1076880810 /nfs/dbraw/zinc/88/08/10/1076880810.db2.gz HMZYYJORESFMJO-QGZVFWFLSA-N -1 3 319.372 2.463 20 30 DEEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@](C)(C#N)C1 ZINC001592241922 1076880815 /nfs/dbraw/zinc/88/08/15/1076880815.db2.gz HMZYYJORESFMJO-QGZVFWFLSA-N -1 3 319.372 2.463 20 30 DEEDHM N#CC1(CC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC001592666785 1076948350 /nfs/dbraw/zinc/94/83/50/1076948350.db2.gz KSURWNIDVJIXHK-UHFFFAOYSA-N -1 3 317.736 2.257 20 30 DEEDHM N#CC1(CC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC001592666785 1076948352 /nfs/dbraw/zinc/94/83/52/1076948352.db2.gz KSURWNIDVJIXHK-UHFFFAOYSA-N -1 3 317.736 2.257 20 30 DEEDHM N#C[C@]1(F)CCN(c2cccc(C(F)F)c2-c2nnn[n-]2)C1 ZINC001592670871 1076949117 /nfs/dbraw/zinc/94/91/17/1076949117.db2.gz STLSSJPKZNOOOQ-CYBMUJFWSA-N -1 3 308.267 2.246 20 30 DEEDHM N#C[C@]1(F)CCN(c2cccc(C(F)F)c2-c2nn[n-]n2)C1 ZINC001592670871 1076949121 /nfs/dbraw/zinc/94/91/21/1076949121.db2.gz STLSSJPKZNOOOQ-CYBMUJFWSA-N -1 3 308.267 2.246 20 30 DEEDHM N#C[C@]1(C(=O)OCc2cccc(-c3nnn[n-]3)c2)CC12CCCC2 ZINC001592667613 1076949129 /nfs/dbraw/zinc/94/91/29/1076949129.db2.gz ZYQKCGHWBDPNEB-KRWDZBQOSA-N -1 3 323.356 2.384 20 30 DEEDHM N#C[C@]1(C(=O)OCc2cccc(-c3nn[n-]n3)c2)CC12CCCC2 ZINC001592667613 1076949135 /nfs/dbraw/zinc/94/91/35/1076949135.db2.gz ZYQKCGHWBDPNEB-KRWDZBQOSA-N -1 3 323.356 2.384 20 30 DEEDHM N#CC[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001592675563 1076950607 /nfs/dbraw/zinc/95/06/07/1076950607.db2.gz QVWXRYPZDVGXBF-CQSZACIVSA-N -1 3 311.345 2.035 20 30 DEEDHM N#CC[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001592675563 1076950612 /nfs/dbraw/zinc/95/06/12/1076950612.db2.gz QVWXRYPZDVGXBF-CQSZACIVSA-N -1 3 311.345 2.035 20 30 DEEDHM N#CCCN(CCC#N)Cc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001592676890 1076952461 /nfs/dbraw/zinc/95/24/61/1076952461.db2.gz GZHRPYBDUUSMQJ-UHFFFAOYSA-N -1 3 315.768 2.149 20 30 DEEDHM N#CCCN(CCC#N)Cc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001592676890 1076952466 /nfs/dbraw/zinc/95/24/66/1076952466.db2.gz GZHRPYBDUUSMQJ-UHFFFAOYSA-N -1 3 315.768 2.149 20 30 DEEDHM N#Cc1cc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)ccc1-c1nnn[n-]1 ZINC001592689124 1076952814 /nfs/dbraw/zinc/95/28/14/1076952814.db2.gz DNSPNPBEUWWLLT-BFVZDQMLSA-N -1 3 308.345 2.113 20 30 DEEDHM N#Cc1cc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)ccc1-c1nn[n-]n1 ZINC001592689124 1076952819 /nfs/dbraw/zinc/95/28/19/1076952819.db2.gz DNSPNPBEUWWLLT-BFVZDQMLSA-N -1 3 308.345 2.113 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H](C1CC1)C1CCOCC1 ZINC001592699193 1076953972 /nfs/dbraw/zinc/95/39/72/1076953972.db2.gz RGHTYKROPQBLCN-OAHLLOKOSA-N -1 3 324.388 2.355 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H](C1CC1)C1CCOCC1 ZINC001592699193 1076953975 /nfs/dbraw/zinc/95/39/75/1076953975.db2.gz RGHTYKROPQBLCN-OAHLLOKOSA-N -1 3 324.388 2.355 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC(F)(C2CC2)CC1 ZINC001592698255 1076954225 /nfs/dbraw/zinc/95/42/25/1076954225.db2.gz RSBNPAXOHXWNSI-UHFFFAOYSA-N -1 3 312.352 2.457 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC(F)(C2CC2)CC1 ZINC001592698255 1076954227 /nfs/dbraw/zinc/95/42/27/1076954227.db2.gz RSBNPAXOHXWNSI-UHFFFAOYSA-N -1 3 312.352 2.457 20 30 DEEDHM O=C(C=Cc1ccc(F)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC001592792386 1076959865 /nfs/dbraw/zinc/95/98/65/1076959865.db2.gz OAMAWLXPUPLOPL-KTAJNNJTSA-N -1 3 313.267 2.436 20 30 DEEDHM O=C(C=Cc1ccc(F)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC001592792386 1076959868 /nfs/dbraw/zinc/95/98/68/1076959868.db2.gz OAMAWLXPUPLOPL-KTAJNNJTSA-N -1 3 313.267 2.436 20 30 DEEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCSC1 ZINC001609022301 1077743393 /nfs/dbraw/zinc/74/33/93/1077743393.db2.gz JEVIVKDQBIESIL-GFCCVEGCSA-N -1 3 302.407 2.085 20 30 DEEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCSC1 ZINC001609022301 1077743396 /nfs/dbraw/zinc/74/33/96/1077743396.db2.gz JEVIVKDQBIESIL-GFCCVEGCSA-N -1 3 302.407 2.085 20 30 DEEDHM C#CCOc1ccccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001609021665 1077743772 /nfs/dbraw/zinc/74/37/72/1077743772.db2.gz RZLKRHSFRNNXPA-UHFFFAOYSA-N -1 3 305.341 2.491 20 30 DEEDHM C#CCOc1ccccc1NCc1ccc(-c2nn[n-]n2)cc1 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BHJNSYONZYOHGN-LBPRGKRZSA-N -1 3 324.384 2.445 20 30 DEEDHM C=C(C)C[C@H](CO)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001175916901 794316786 /nfs/dbraw/zinc/31/67/86/794316786.db2.gz DBXMQEFPISJLRR-SNVBAGLBSA-N -1 3 320.776 2.238 20 30 DEEDHM Cc1nn(C)c2ncc(C([O-])=C(C#N)c3cccc(F)n3)cc12 ZINC001122712201 795796664 /nfs/dbraw/zinc/79/66/64/795796664.db2.gz JHINJXOCJWIGIV-GFCCVEGCSA-N -1 3 309.304 2.301 20 30 DEEDHM N#Cc1cc(NC(=O)[C@@H](C#N)Cc2ccc(O)cc2)ccc1[O-] ZINC001183607390 795892827 /nfs/dbraw/zinc/89/28/27/795892827.db2.gz CEBRYBRRTJMMRV-CYBMUJFWSA-N -1 3 307.309 2.290 20 30 DEEDHM CCn1nc(C)c(C(=O)N([O-])CCCCc2ccccc2)n1 ZINC001184293109 796038099 /nfs/dbraw/zinc/03/80/99/796038099.db2.gz FLKHKCOQPBFJTF-UHFFFAOYSA-N -1 3 302.378 2.461 20 30 DEEDHM Cn1ncc([N+](=O)[O-])c1C(=O)N([O-])CCCCc1ccccc1 ZINC001184293125 796038446 /nfs/dbraw/zinc/03/84/46/796038446.db2.gz GFCBKCRGJUQZNW-UHFFFAOYSA-N -1 3 318.333 2.183 20 30 DEEDHM C=CCSCCNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001138174113 796175888 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N=C(c1ccccc1N)N([O-])C(=O)c1ccc2c(c1)NC(=O)CC2 ZINC001149339613 796843647 /nfs/dbraw/zinc/84/36/47/796843647.db2.gz GTSJLAOBVFWBCQ-UHFFFAOYSA-N -1 3 324.340 2.010 20 30 DEEDHM N#Cc1cncc([N-]S(=O)(=O)Cc2cc(F)ccc2F)c1 ZINC001189649288 796866460 /nfs/dbraw/zinc/86/64/60/796866460.db2.gz PKOXCSDFOANLNJ-UHFFFAOYSA-N -1 3 309.297 2.173 20 30 DEEDHM N#CC1CC([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC001190351036 796984534 /nfs/dbraw/zinc/98/45/34/796984534.db2.gz ZLUJRMXQORLFES-UHFFFAOYSA-N -1 3 322.283 2.425 20 30 DEEDHM Cc1cnc2c(C(=O)[N-]c3c(C#N)ccc(F)c3F)cnn2c1 ZINC001151143469 797015647 /nfs/dbraw/zinc/01/56/47/797015647.db2.gz BFEKUQQUSTZOPR-UHFFFAOYSA-N -1 3 313.267 2.440 20 30 DEEDHM C=CCC1(S(=O)(=O)[N-]c2ccc(C(=O)OC)cc2F)CC1 ZINC001190806535 797083620 /nfs/dbraw/zinc/08/36/20/797083620.db2.gz GEMFMTFHNROFDU-UHFFFAOYSA-N -1 3 313.350 2.463 20 30 DEEDHM CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cc(C#N)c(C)cc1C ZINC001193064331 797493099 /nfs/dbraw/zinc/49/30/99/797493099.db2.gz 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Cc1c(C#N)c(NCCCc2c[n-][nH]c2=O)nc2ccccc12 ZINC001164371543 799585954 /nfs/dbraw/zinc/58/59/54/799585954.db2.gz DDFMMGKQQSCXFH-LBPRGKRZSA-N -1 3 307.357 2.339 20 30 DEEDHM N#Cc1c(N)cc(=N)n(-c2cc([O-])ccc2F)c1Br ZINC001210798748 801467213 /nfs/dbraw/zinc/46/72/13/801467213.db2.gz JVKKKRDHQLIGIP-UHFFFAOYSA-N -1 3 323.125 2.018 20 30 DEEDHM C=CCOC(=O)N[C@@H]1CCCN(Cc2cccc([O-])c2F)C1 ZINC001233055206 802017342 /nfs/dbraw/zinc/01/73/42/802017342.db2.gz NZZSNZGUKHPDHY-CYBMUJFWSA-N -1 3 308.353 2.408 20 30 DEEDHM CCOC(=O)C[C@@H](CC#N)Oc1ccc(/C=N/[O-])cc1OC ZINC001233801374 802213571 /nfs/dbraw/zinc/21/35/71/802213571.db2.gz YUJJWIJKKUDERW-YXHQGMJNSA-N -1 3 306.318 2.118 20 30 DEEDHM Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1cc(C#N)ccc1[O-] ZINC001227351187 803233522 /nfs/dbraw/zinc/23/35/22/803233522.db2.gz SKZOTBUDDJJDBS-SECBINFHSA-N -1 3 302.290 2.145 20 30 DEEDHM C=C[C@]1(C)CC[C@@H](Oc2nc3[nH]c(=O)[nH]c(=O)c3[n-]2)C(C)(C)O1 ZINC001227430371 803241245 /nfs/dbraw/zinc/24/12/45/803241245.db2.gz KJOXWCUICCYJOT-ANRSDYALSA-N -1 3 320.349 2.045 20 30 DEEDHM C=C[C@]1(C)CC[C@@H](Oc2nc3[nH]c(=O)[nH]c([O-])c-3n2)C(C)(C)O1 ZINC001227430371 803241247 /nfs/dbraw/zinc/24/12/47/803241247.db2.gz KJOXWCUICCYJOT-ANRSDYALSA-N -1 3 320.349 2.045 20 30 DEEDHM C=CC(C)(C)CCCNC(=O)C(=O)NCc1ccc([O-])c(F)c1 ZINC001331592685 1149547373 /nfs/dbraw/zinc/54/73/73/1149547373.db2.gz CXTLFZMZJWSDIR-UHFFFAOYSA-N -1 3 322.380 2.256 20 30 DEEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C#N)o1 ZINC001575510106 949121716 /nfs/dbraw/zinc/12/17/16/949121716.db2.gz GEHICNWVRFLYCG-SNVBAGLBSA-N -1 3 322.328 2.165 20 30 DEEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C#N)o1 ZINC001575510106 949121731 /nfs/dbraw/zinc/12/17/31/949121731.db2.gz GEHICNWVRFLYCG-SNVBAGLBSA-N -1 3 322.328 2.165 20 30 DEEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1coc(C#N)c1 ZINC001575513360 949150885 /nfs/dbraw/zinc/15/08/85/949150885.db2.gz RPKSZUUNWRHDFX-JTQLQIEISA-N -1 3 322.328 2.165 20 30 DEEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1coc(C#N)c1 ZINC001575513360 949150893 /nfs/dbraw/zinc/15/08/93/949150893.db2.gz RPKSZUUNWRHDFX-JTQLQIEISA-N -1 3 322.328 2.165 20 30 DEEDHM C[C@H]1CCCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC001603415011 973103161 /nfs/dbraw/zinc/10/31/61/973103161.db2.gz SHJVAYZXVARTLI-HZMBPMFUSA-N -1 3 303.318 2.152 20 30 DEEDHM N#CC1(NC(=O)CN2CCCC[C@H]2CCC(=O)[O-])CCCCC1 ZINC001605583697 973874664 /nfs/dbraw/zinc/87/46/64/973874664.db2.gz ZKUPCNQFXBKWJG-AWEZNQCLSA-N -1 3 321.421 2.048 20 30 DEEDHM C#C[C@H](NCc1ccccc1O[C@H](C)C(=O)[O-])C1CCOCC1 ZINC001588377635 983358034 /nfs/dbraw/zinc/35/80/34/983358034.db2.gz OILPQRGSZXZTGT-CJNGLKHVSA-N -1 3 317.385 2.057 20 30 DEEDHM C#C[C@@H](NCc1ccnc2c(C(=O)[O-])cccc12)[C@@H]1CCCO1 ZINC001588377866 983359595 /nfs/dbraw/zinc/35/95/95/983359595.db2.gz QVNIFEHQBAHGJC-CVEARBPZSA-N -1 3 310.353 2.203 20 30 DEEDHM C=C(CCC(=O)[O-])C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC001588622861 983725561 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C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@](C)(C(=O)[O-])C1 ZINC001589440055 986782162 /nfs/dbraw/zinc/78/21/62/986782162.db2.gz QLCAIIUVDDLLDN-YVEFUNNKSA-N -1 3 315.373 2.072 20 30 DEEDHM CC(C)(CO)[C@@H](NCc1cccc(C(=O)[O-])c1C#N)C1CC1 ZINC001590779104 990584829 /nfs/dbraw/zinc/58/48/29/990584829.db2.gz JLWUXOMUPISUHR-HNNXBMFYSA-N -1 3 302.374 2.143 20 30 DEEDHM CO[C@@H]1[C@H](C)[C@H](NCc2cccc(C(=O)[O-])c2C#N)C1(C)C ZINC001599098554 997330140 /nfs/dbraw/zinc/33/01/40/997330140.db2.gz ZZLMEOSRIBHFJK-WKPIXPDZSA-N -1 3 302.374 2.406 20 30 DEEDHM C#CC[C@@H](COC)Nc1nc2ccccc2c(C)c1-c1nnn[n-]1 ZINC001602698122 1069730519 /nfs/dbraw/zinc/73/05/19/1069730519.db2.gz YZVCGOUDVFTHBP-LBPRGKRZSA-N -1 3 322.372 2.174 20 30 DEEDHM C#CC[C@@H](COC)Nc1nc2ccccc2c(C)c1-c1nn[n-]n1 ZINC001602698122 1069730535 /nfs/dbraw/zinc/73/05/35/1069730535.db2.gz YZVCGOUDVFTHBP-LBPRGKRZSA-N -1 3 322.372 2.174 20 30 DEEDHM C#CCN(CC1CC1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001602718610 1069734224 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C=C(C)C[C@H](C)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588405572 1076446736 /nfs/dbraw/zinc/44/67/36/1076446736.db2.gz OPUBUEIFNHUTLI-NSHDSACASA-N -1 3 314.345 2.195 20 30 DEEDHM C=CC(C)(C)CCNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588487705 1076450806 /nfs/dbraw/zinc/45/08/06/1076450806.db2.gz AQYYVUQCXPCBKH-UHFFFAOYSA-N -1 3 303.326 2.184 20 30 DEEDHM C=CC(C)(C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588487705 1076450810 /nfs/dbraw/zinc/45/08/10/1076450810.db2.gz AQYYVUQCXPCBKH-UHFFFAOYSA-N -1 3 303.326 2.184 20 30 DEEDHM C=CCC[C@@H](CO)Nc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001588579239 1076454696 /nfs/dbraw/zinc/45/46/96/1076454696.db2.gz LGJBYEMQLRQZFV-VIFPVBQESA-N -1 3 316.390 2.215 20 30 DEEDHM C=CCC[C@@H](CO)Nc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001588579239 1076454700 /nfs/dbraw/zinc/45/47/00/1076454700.db2.gz LGJBYEMQLRQZFV-VIFPVBQESA-N -1 3 316.390 2.215 20 30 DEEDHM C=CCCC[C@H](C)NC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588594443 1076455989 /nfs/dbraw/zinc/45/59/89/1076455989.db2.gz OLKKPMCJCBHBEM-NSHDSACASA-N -1 3 300.366 2.045 20 30 DEEDHM C=CCCC[C@H](C)NC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588594443 1076455993 /nfs/dbraw/zinc/45/59/93/1076455993.db2.gz OLKKPMCJCBHBEM-NSHDSACASA-N -1 3 300.366 2.045 20 30 DEEDHM C=CCCCN(C)C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588601462 1076456772 /nfs/dbraw/zinc/45/67/72/1076456772.db2.gz MLNIQZAXZJHTKM-ZDUSSCGKSA-N -1 3 313.405 2.470 20 30 DEEDHM C=CCCCN(C)C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588601462 1076456773 /nfs/dbraw/zinc/45/67/73/1076456773.db2.gz MLNIQZAXZJHTKM-ZDUSSCGKSA-N -1 3 313.405 2.470 20 30 DEEDHM C=CCN(C(=O)COc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588626143 1076458071 /nfs/dbraw/zinc/45/80/71/1076458071.db2.gz ULGHZKPWCLDCFN-UHFFFAOYSA-N -1 3 315.377 2.059 20 30 DEEDHM C=CCN(C(=O)COc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588626143 1076458073 /nfs/dbraw/zinc/45/80/73/1076458073.db2.gz ULGHZKPWCLDCFN-UHFFFAOYSA-N -1 3 315.377 2.059 20 30 DEEDHM C=CCNC(=S)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588663972 1076460995 /nfs/dbraw/zinc/46/09/95/1076460995.db2.gz RTRQULVSWJHSDR-UHFFFAOYSA-N -1 3 316.434 2.390 20 30 DEEDHM C=CCNC(=S)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588663972 1076460997 /nfs/dbraw/zinc/46/09/97/1076460997.db2.gz RTRQULVSWJHSDR-UHFFFAOYSA-N -1 3 316.434 2.390 20 30 DEEDHM CC#CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC001588745921 1076462140 /nfs/dbraw/zinc/46/21/40/1076462140.db2.gz INHPETIYWUFZRO-UHFFFAOYSA-N -1 3 314.345 2.112 20 30 DEEDHM CC#CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC001588745921 1076462141 /nfs/dbraw/zinc/46/21/41/1076462141.db2.gz INHPETIYWUFZRO-UHFFFAOYSA-N -1 3 314.345 2.112 20 30 DEEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1cn2c(n1)CCCC2 ZINC001588780566 1076464971 /nfs/dbraw/zinc/46/49/71/1076464971.db2.gz FLNNODPLKIMCEK-UHFFFAOYSA-N -1 3 322.376 2.236 20 30 DEEDHM CC(N=Nc1ncccc1[N+](=O)[O-])c1ccccc1-c1nnn[n-]1 ZINC001588781302 1076465263 /nfs/dbraw/zinc/46/52/63/1076465263.db2.gz SSHRYIBYLGHVHT-UHFFFAOYSA-N -1 3 324.304 2.006 20 30 DEEDHM CC(N=Nc1ncccc1[N+](=O)[O-])c1ccccc1-c1nn[n-]n1 ZINC001588781302 1076465269 /nfs/dbraw/zinc/46/52/69/1076465269.db2.gz SSHRYIBYLGHVHT-UHFFFAOYSA-N -1 3 324.304 2.006 20 30 DEEDHM C[C@@H](C#N)CN(C)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588931446 1076470597 /nfs/dbraw/zinc/47/05/97/1076470597.db2.gz ZJXRNYNPXBUHIA-QMMMGPOBSA-N -1 3 310.283 2.481 20 30 DEEDHM C[C@@H](C#N)CN(C)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588931446 1076470599 /nfs/dbraw/zinc/47/05/99/1076470599.db2.gz ZJXRNYNPXBUHIA-QMMMGPOBSA-N -1 3 310.283 2.481 20 30 DEEDHM CC(C)(C)[C@H](C#N)NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001589085802 1076474588 /nfs/dbraw/zinc/47/45/88/1076474588.db2.gz IYCLQNYFEQTFJI-ZDUSSCGKSA-N -1 3 323.360 2.016 20 30 DEEDHM CC(C)(C)[C@H](C#N)NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001589085802 1076474590 /nfs/dbraw/zinc/47/45/90/1076474590.db2.gz IYCLQNYFEQTFJI-ZDUSSCGKSA-N -1 3 323.360 2.016 20 30 DEEDHM CC(C)C[C@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589542248 1076497877 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DEEDHM CC[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CO1 ZINC001590502201 1076641259 /nfs/dbraw/zinc/64/12/59/1076641259.db2.gz LHIPBTJTKJMYGP-JTQLQIEISA-N -1 3 306.757 2.487 20 30 DEEDHM CC[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CO1 ZINC001590502201 1076641261 /nfs/dbraw/zinc/64/12/61/1076641261.db2.gz LHIPBTJTKJMYGP-JTQLQIEISA-N -1 3 306.757 2.487 20 30 DEEDHM COc1cc(C#N)ccc1OCc1ccc(-c2nnn[n-]2)s1 ZINC001591508808 1076751592 /nfs/dbraw/zinc/75/15/92/1076751592.db2.gz GLSWERMNLFUUJX-UHFFFAOYSA-N -1 3 313.342 2.387 20 30 DEEDHM COc1ccc(C=NN[C@@H](C)C(C)(C)C)cc1-c1nnn[n-]1 ZINC001591582463 1076761318 /nfs/dbraw/zinc/76/13/18/1076761318.db2.gz YQDQWHDLINSLHC-JTQLQIEISA-N -1 3 302.382 2.233 20 30 DEEDHM COc1ccc(C=NN[C@@H](C)C(C)(C)C)cc1-c1nn[n-]n1 ZINC001591582463 1076761323 /nfs/dbraw/zinc/76/13/23/1076761323.db2.gz YQDQWHDLINSLHC-JTQLQIEISA-N -1 3 302.382 2.233 20 30 DEEDHM COc1cccc(C=NNc2cccc(-c3nnn[n-]3)c2)c1O ZINC001591635438 1076767857 /nfs/dbraw/zinc/76/78/57/1076767857.db2.gz WADVFPRJOVCQIT-UHFFFAOYSA-N -1 3 310.317 2.027 20 30 DEEDHM COc1cccc(C=NNc2cccc(-c3nn[n-]n3)c2)c1O ZINC001591635438 1076767860 /nfs/dbraw/zinc/76/78/60/1076767860.db2.gz WADVFPRJOVCQIT-UHFFFAOYSA-N -1 3 310.317 2.027 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)ccc1CON=C(N)c1cccs1 ZINC001591869239 1076801941 /nfs/dbraw/zinc/80/19/41/1076801941.db2.gz QZCZPBWDQXHJDX-UHFFFAOYSA-N -1 3 314.374 2.074 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)ccc1CON=C(N)c1cccs1 ZINC001591869239 1076801944 /nfs/dbraw/zinc/80/19/44/1076801944.db2.gz QZCZPBWDQXHJDX-UHFFFAOYSA-N -1 3 314.374 2.074 20 30 DEEDHM Cc1cc(C(=O)N2CCC[C@@](C)(C#N)C2)cc(C)c1-c1nnn[n-]1 ZINC001591913897 1076807457 /nfs/dbraw/zinc/80/74/57/1076807457.db2.gz BRYWTMXXUCHJEK-KRWDZBQOSA-N -1 3 324.388 2.249 20 30 DEEDHM Cc1cc(C(=O)N2CCC[C@@](C)(C#N)C2)cc(C)c1-c1nn[n-]n1 ZINC001591913897 1076807458 /nfs/dbraw/zinc/80/74/58/1076807458.db2.gz BRYWTMXXUCHJEK-KRWDZBQOSA-N -1 3 324.388 2.249 20 30 DEEDHM Cc1cc(C(=O)O[C@H](CC#N)C2CC2)cc(C)c1-c1nnn[n-]1 ZINC001591936244 1076810054 /nfs/dbraw/zinc/81/00/54/1076810054.db2.gz MKWOTYJAQQDSFI-CYBMUJFWSA-N -1 3 311.345 2.333 20 30 DEEDHM Cc1cc(C(=O)O[C@H](CC#N)C2CC2)cc(C)c1-c1nn[n-]n1 ZINC001591936244 1076810059 /nfs/dbraw/zinc/81/00/59/1076810059.db2.gz MKWOTYJAQQDSFI-CYBMUJFWSA-N -1 3 311.345 2.333 20 30 DEEDHM Cc1nsc(N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)c1C#N ZINC001592487215 1076919102 /nfs/dbraw/zinc/91/91/02/1076919102.db2.gz ZXHHDRSQSZUKOJ-GFCCVEGCSA-N -1 3 323.385 2.083 20 30 DEEDHM Cc1nsc(N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)c1C#N ZINC001592487215 1076919106 /nfs/dbraw/zinc/91/91/06/1076919106.db2.gz ZXHHDRSQSZUKOJ-GFCCVEGCSA-N -1 3 323.385 2.083 20 30 DEEDHM Fc1cc(-c2nnn[n-]2)cc(F)c1C=NNCCC(F)(F)F ZINC001592635731 1076938708 /nfs/dbraw/zinc/93/87/08/1076938708.db2.gz YWPLKLJYPJOABD-UHFFFAOYSA-N -1 3 320.225 2.021 20 30 DEEDHM Fc1cc(-c2nn[n-]n2)cc(F)c1C=NNCCC(F)(F)F ZINC001592635731 1076938709 /nfs/dbraw/zinc/93/87/09/1076938709.db2.gz YWPLKLJYPJOABD-UHFFFAOYSA-N -1 3 320.225 2.021 20 30 DEEDHM N#CC1(CC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC001592666456 1076948265 /nfs/dbraw/zinc/94/82/65/1076948265.db2.gz FTZFRTRMNSZVFI-UHFFFAOYSA-N -1 3 302.725 2.152 20 30 DEEDHM N#CC1(CC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC001592666456 1076948267 /nfs/dbraw/zinc/94/82/67/1076948267.db2.gz FTZFRTRMNSZVFI-UHFFFAOYSA-N -1 3 302.725 2.152 20 30 DEEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001592672408 1076949732 /nfs/dbraw/zinc/94/97/32/1076949732.db2.gz HPXGTUMJMCUILQ-MWLCHTKSSA-N -1 3 315.308 2.245 20 30 DEEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001592672408 1076949735 /nfs/dbraw/zinc/94/97/35/1076949735.db2.gz HPXGTUMJMCUILQ-MWLCHTKSSA-N -1 3 315.308 2.245 20 30 DEEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1=CCCC1 ZINC001592668145 1076949907 /nfs/dbraw/zinc/94/99/07/1076949907.db2.gz ILHVMPXWWUTPET-HNNXBMFYSA-N -1 3 323.356 2.202 20 30 DEEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1=CCCC1 ZINC001592668145 1076949911 /nfs/dbraw/zinc/94/99/11/1076949911.db2.gz ILHVMPXWWUTPET-HNNXBMFYSA-N -1 3 323.356 2.202 20 30 DEEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC001592696896 1076954784 /nfs/dbraw/zinc/95/47/84/1076954784.db2.gz HVTFUANWFDWBJM-UHFFFAOYSA-N -1 3 311.736 2.399 20 30 DEEDHM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC001592696896 1076954788 /nfs/dbraw/zinc/95/47/88/1076954788.db2.gz HVTFUANWFDWBJM-UHFFFAOYSA-N -1 3 311.736 2.399 20 30 DEEDHM N#Cc1nc(F)ccc1Oc1ncc(-c2nnn[n-]2)cc1Cl ZINC001592705844 1076956908 /nfs/dbraw/zinc/95/69/08/1076956908.db2.gz HZBMCVRRJLKKSH-UHFFFAOYSA-N -1 3 317.671 2.113 20 30 DEEDHM N#Cc1nc(F)ccc1Oc1ncc(-c2nn[n-]n2)cc1Cl ZINC001592705844 1076956910 /nfs/dbraw/zinc/95/69/10/1076956910.db2.gz HZBMCVRRJLKKSH-UHFFFAOYSA-N -1 3 317.671 2.113 20 30 DEEDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1ccccc1 ZINC001592912307 1076966629 /nfs/dbraw/zinc/96/66/29/1076966629.db2.gz WLZOPPVLMHHJEE-UHFFFAOYSA-N -1 3 318.336 2.004 20 30 DEEDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccccc1 ZINC001592912307 1076966633 /nfs/dbraw/zinc/96/66/33/1076966633.db2.gz WLZOPPVLMHHJEE-UHFFFAOYSA-N -1 3 318.336 2.004 20 30 DEEDHM Cn1c2ccccc2nc1C(C#N)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001600909335 1077301076 /nfs/dbraw/zinc/30/10/76/1077301076.db2.gz RYOGEMXFJREMQQ-TUAOUCFPSA-N -1 3 311.341 2.250 20 30 DEEDHM C#CC1CCN(c2nc(C(C)(C)C)ccc2-c2nnn[n-]2)CC1 ZINC001609020283 1077742512 /nfs/dbraw/zinc/74/25/12/1077742512.db2.gz XCIVTORHMSOUPG-UHFFFAOYSA-N -1 3 310.405 2.409 20 30 DEEDHM C#CC1CCN(c2nc(C(C)(C)C)ccc2-c2nn[n-]n2)CC1 ZINC001609020283 1077742519 /nfs/dbraw/zinc/74/25/19/1077742519.db2.gz XCIVTORHMSOUPG-UHFFFAOYSA-N -1 3 310.405 2.409 20 30 DEEDHM C=CCC(C)(C)CNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001609052764 1077749848 /nfs/dbraw/zinc/74/98/48/1077749848.db2.gz OZSIIGMRHZSMFG-UHFFFAOYSA-N -1 3 320.784 2.247 20 30 DEEDHM C=CCC(C)(C)CNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001609052764 1077749852 /nfs/dbraw/zinc/74/98/52/1077749852.db2.gz OZSIIGMRHZSMFG-UHFFFAOYSA-N -1 3 320.784 2.247 20 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1076525939 /nfs/dbraw/zinc/52/59/39/1076525939.db2.gz OZCALJDZOLKKQI-LLVKDONJSA-N -1 3 313.361 2.138 20 30 DEEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC(C)(C)C#N ZINC001589895124 1076525944 /nfs/dbraw/zinc/52/59/44/1076525944.db2.gz OZCALJDZOLKKQI-LLVKDONJSA-N -1 3 313.361 2.138 20 30 DEEDHM C[C@H]1CC2(CN1c1c(C#N)cccc1-c1nnn[n-]1)CCOCC2 ZINC001590223264 1076588635 /nfs/dbraw/zinc/58/86/35/1076588635.db2.gz PAUQFIBNZYJWNO-LBPRGKRZSA-N -1 3 324.388 2.134 20 30 DEEDHM C[C@H]1CC2(CN1c1c(C#N)cccc1-c1nn[n-]n1)CCOCC2 ZINC001590223264 1076588639 /nfs/dbraw/zinc/58/86/39/1076588639.db2.gz PAUQFIBNZYJWNO-LBPRGKRZSA-N -1 3 324.388 2.134 20 30 DEEDHM C[C@@H]1CCN(c2c(C#N)cccc2-c2nnn[n-]2)CCS1 ZINC001590277034 1076605991 /nfs/dbraw/zinc/60/59/91/1076605991.db2.gz TXVPZCQYKDBXMD-SNVBAGLBSA-N -1 3 300.391 2.070 20 30 DEEDHM C[C@@H]1CCN(c2c(C#N)cccc2-c2nn[n-]n2)CCS1 ZINC001590277034 1076605993 /nfs/dbraw/zinc/60/59/93/1076605993.db2.gz TXVPZCQYKDBXMD-SNVBAGLBSA-N -1 3 300.391 2.070 20 30 DEEDHM C[C@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@H](C)S1 ZINC001590311928 1076609686 /nfs/dbraw/zinc/60/96/86/1076609686.db2.gz FHWSCUWTPUXJIO-UWVGGRQHSA-N -1 3 300.391 2.069 20 30 DEEDHM C[C@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@H](C)S1 ZINC001590311928 1076609688 /nfs/dbraw/zinc/60/96/88/1076609688.db2.gz FHWSCUWTPUXJIO-UWVGGRQHSA-N -1 3 300.391 2.069 20 30 DEEDHM CCC(=NN[C@H]1CCCSC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590358724 1076615705 /nfs/dbraw/zinc/61/57/05/1076615705.db2.gz DVVQEQCTERIEBJ-ZDUSSCGKSA-N -1 3 316.434 2.466 20 30 DEEDHM CCC(=NN[C@H]1CCCSC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590358724 1076615712 /nfs/dbraw/zinc/61/57/12/1076615712.db2.gz DVVQEQCTERIEBJ-ZDUSSCGKSA-N -1 3 316.434 2.466 20 30 DEEDHM CC[C@H](CC#N)NC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001590419058 1076625803 /nfs/dbraw/zinc/62/58/03/1076625803.db2.gz BMFNUHJEYSHDQT-MRVPVSSYSA-N -1 3 305.367 2.050 20 30 DEEDHM CC[C@H](CC#N)NC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001590419058 1076625804 /nfs/dbraw/zinc/62/58/04/1076625804.db2.gz BMFNUHJEYSHDQT-MRVPVSSYSA-N -1 3 305.367 2.050 20 30 DEEDHM CCC1(CC)C(N=Nc2ccc(-c3nnn[n-]3)cn2)C[C@@H]1OC ZINC001590492127 1076639310 /nfs/dbraw/zinc/63/93/10/1076639310.db2.gz POZPBIHVAIWKDH-LBPRGKRZSA-N -1 3 315.381 2.255 20 30 DEEDHM CCC1(CC)C(N=Nc2ccc(-c3nn[n-]n3)cn2)C[C@@H]1OC ZINC001590492127 1076639313 /nfs/dbraw/zinc/63/93/13/1076639313.db2.gz POZPBIHVAIWKDH-LBPRGKRZSA-N -1 3 315.381 2.255 20 30 DEEDHM CN(C(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCC[C@H]1C#N ZINC001590985206 1076701875 /nfs/dbraw/zinc/70/18/75/1076701875.db2.gz KDTHPMCENOJUGH-WCQYABFASA-N -1 3 311.349 2.023 20 30 DEEDHM CN(C(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCC[C@H]1C#N ZINC001590985206 1076701879 /nfs/dbraw/zinc/70/18/79/1076701879.db2.gz KDTHPMCENOJUGH-WCQYABFASA-N -1 3 311.349 2.023 20 30 DEEDHM CN(CCOc1ccccc1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591116648 1076709708 /nfs/dbraw/zinc/70/97/08/1076709708.db2.gz VXGVATIUVAKEAF-UHFFFAOYSA-N -1 3 320.356 2.254 20 30 DEEDHM CN(CCOc1ccccc1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591116648 1076709710 /nfs/dbraw/zinc/70/97/10/1076709710.db2.gz VXGVATIUVAKEAF-UHFFFAOYSA-N -1 3 320.356 2.254 20 30 DEEDHM COc1cc(C=NNC2CCCCC2)ccc1-c1nnn[n-]1 ZINC001591522136 1076753868 /nfs/dbraw/zinc/75/38/68/1076753868.db2.gz BDMMWEMWPDBVJU-UHFFFAOYSA-N -1 3 300.366 2.132 20 30 DEEDHM COc1cc(C=NNC2CCCCC2)ccc1-c1nn[n-]n1 ZINC001591522136 1076753872 /nfs/dbraw/zinc/75/38/72/1076753872.db2.gz BDMMWEMWPDBVJU-UHFFFAOYSA-N -1 3 300.366 2.132 20 30 DEEDHM COc1ccc(C=NN[C@H]2CCCC2(C)C)cc1-c1nnn[n-]1 ZINC001591582217 1076761493 /nfs/dbraw/zinc/76/14/93/1076761493.db2.gz BBLUHXPQTNWDKC-AWEZNQCLSA-N -1 3 314.393 2.378 20 30 DEEDHM COc1ccc(C=NN[C@H]2CCCC2(C)C)cc1-c1nn[n-]n1 ZINC001591582217 1076761496 /nfs/dbraw/zinc/76/14/96/1076761496.db2.gz BBLUHXPQTNWDKC-AWEZNQCLSA-N -1 3 314.393 2.378 20 30 DEEDHM COc1ccc(CNc2cc(F)cc(C#N)c2)cc1-c1nnn[n-]1 ZINC001591601250 1076764003 /nfs/dbraw/zinc/76/40/03/1076764003.db2.gz DGWUIOJTAPMEGJ-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1ccc(CNc2cc(F)cc(C#N)c2)cc1-c1nn[n-]n1 ZINC001591601250 1076764005 /nfs/dbraw/zinc/76/40/05/1076764005.db2.gz DGWUIOJTAPMEGJ-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM Cc1cc(C)c(C#N)c(NC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001591945370 1076813784 /nfs/dbraw/zinc/81/37/84/1076813784.db2.gz HLFPJOOYDQBOIW-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(C)c(C#N)c(NC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001591945370 1076813787 /nfs/dbraw/zinc/81/37/87/1076813787.db2.gz HLFPJOOYDQBOIW-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(NC(=O)c2cscc2C#N)cc(-c2nnn[n-]2)c1 ZINC001592031717 1076834907 /nfs/dbraw/zinc/83/49/07/1076834907.db2.gz OYVZCESFEHZQMG-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1cc(NC(=O)c2cscc2C#N)cc(-c2nn[n-]n2)c1 ZINC001592031717 1076834910 /nfs/dbraw/zinc/83/49/10/1076834910.db2.gz OYVZCESFEHZQMG-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccc(C#N)cc2)n1 ZINC001592353180 1076902313 /nfs/dbraw/zinc/90/23/13/1076902313.db2.gz HKQJECXLKPASIV-UHFFFAOYSA-N -1 3 323.385 2.438 20 30 DEEDHM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccc(C#N)cc2)n1 ZINC001592353180 1076902316 /nfs/dbraw/zinc/90/23/16/1076902316.db2.gz HKQJECXLKPASIV-UHFFFAOYSA-N -1 3 323.385 2.438 20 30 DEEDHM N#CC1CCC(CNc2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC001592673049 1076950515 /nfs/dbraw/zinc/95/05/15/1076950515.db2.gz UBBMLSDRVPBXLC-UHFFFAOYSA-N -1 3 323.404 2.492 20 30 DEEDHM N#CC1CCC(CNc2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC001592673049 1076950519 /nfs/dbraw/zinc/95/05/19/1076950519.db2.gz UBBMLSDRVPBXLC-UHFFFAOYSA-N -1 3 323.404 2.492 20 30 DEEDHM N#CCC[C@H](C#N)COc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001592675056 1076951161 /nfs/dbraw/zinc/95/11/61/1076951161.db2.gz PYAGXEFTLJPGMT-SECBINFHSA-N -1 3 302.725 2.342 20 30 DEEDHM N#CCC[C@H](C#N)COc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001592675056 1076951167 /nfs/dbraw/zinc/95/11/67/1076951167.db2.gz PYAGXEFTLJPGMT-SECBINFHSA-N -1 3 302.725 2.342 20 30 DEEDHM N#Cc1c(NC2CC2)nc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC001592685137 1076951841 /nfs/dbraw/zinc/95/18/41/1076951841.db2.gz KWULTKOUPQRPLB-UHFFFAOYSA-N -1 3 309.377 2.367 20 30 DEEDHM N#Cc1c(NC2CC2)nc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC001592685137 1076951843 /nfs/dbraw/zinc/95/18/43/1076951843.db2.gz KWULTKOUPQRPLB-UHFFFAOYSA-N -1 3 309.377 2.367 20 30 DEEDHM N#Cc1c2c(nc(NC3CC3)c1-c1nnn[n-]1)CCCCCC2 ZINC001592685697 1076951852 /nfs/dbraw/zinc/95/18/52/1076951852.db2.gz XPZIXXJZZJSYIJ-UHFFFAOYSA-N -1 3 309.377 2.367 20 30 DEEDHM N#Cc1c2c(nc(NC3CC3)c1-c1nn[n-]n1)CCCCCC2 ZINC001592685697 1076951856 /nfs/dbraw/zinc/95/18/56/1076951856.db2.gz XPZIXXJZZJSYIJ-UHFFFAOYSA-N -1 3 309.377 2.367 20 30 DEEDHM N#Cc1ccc(CN2CCc3c2cccc3-c2nnn[n-]2)cc1 ZINC001592692895 1076953029 /nfs/dbraw/zinc/95/30/29/1076953029.db2.gz NAHRWYWMTXUPRJ-UHFFFAOYSA-N -1 3 302.341 2.301 20 30 DEEDHM N#Cc1ccc(CN2CCc3c2cccc3-c2nn[n-]n2)cc1 ZINC001592692895 1076953036 /nfs/dbraw/zinc/95/30/36/1076953036.db2.gz NAHRWYWMTXUPRJ-UHFFFAOYSA-N -1 3 302.341 2.301 20 30 DEEDHM N#Cc1ccc(F)cc1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592694306 1076953490 /nfs/dbraw/zinc/95/34/90/1076953490.db2.gz CRKGDQKEBDVYMG-UHFFFAOYSA-N -1 3 306.304 2.398 20 30 DEEDHM N#Cc1ccc(F)cc1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592694306 1076953495 /nfs/dbraw/zinc/95/34/95/1076953495.db2.gz CRKGDQKEBDVYMG-UHFFFAOYSA-N -1 3 306.304 2.398 20 30 DEEDHM N#Cc1ccc2c(c1)CN(c1cc(F)ccc1-c1nnn[n-]1)C2 ZINC001592698351 1076953923 /nfs/dbraw/zinc/95/39/23/1076953923.db2.gz YEFQIHKXTUEKIL-UHFFFAOYSA-N -1 3 306.304 2.398 20 30 DEEDHM N#Cc1ccc2c(c1)CN(c1cc(F)ccc1-c1nn[n-]n1)C2 ZINC001592698351 1076953927 /nfs/dbraw/zinc/95/39/27/1076953927.db2.gz YEFQIHKXTUEKIL-UHFFFAOYSA-N -1 3 306.304 2.398 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC(Oc2ccccc2)C1 ZINC001592698128 1076954047 /nfs/dbraw/zinc/95/40/47/1076954047.db2.gz JGPSSLVLPLBDIS-UHFFFAOYSA-N -1 3 318.340 2.006 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC(Oc2ccccc2)C1 ZINC001592698128 1076954051 /nfs/dbraw/zinc/95/40/51/1076954051.db2.gz JGPSSLVLPLBDIS-UHFFFAOYSA-N -1 3 318.340 2.006 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC001592699367 1076954603 /nfs/dbraw/zinc/95/46/03/1076954603.db2.gz XENJMBPAQBVYFP-MRVWCRGKSA-N -1 3 310.361 2.108 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC001592699367 1076954604 /nfs/dbraw/zinc/95/46/04/1076954604.db2.gz XENJMBPAQBVYFP-MRVWCRGKSA-N -1 3 310.361 2.108 20 30 DEEDHM N#Cc1cnccc1SCCOc1ccccc1-c1nnn[n-]1 ZINC001592703883 1076955188 /nfs/dbraw/zinc/95/51/88/1076955188.db2.gz GRAGLLKWOGFWQO-UHFFFAOYSA-N -1 3 324.369 2.304 20 30 DEEDHM N#Cc1cnccc1SCCOc1ccccc1-c1nn[n-]n1 ZINC001592703883 1076955191 /nfs/dbraw/zinc/95/51/91/1076955191.db2.gz GRAGLLKWOGFWQO-UHFFFAOYSA-N -1 3 324.369 2.304 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCOCc1ccccc1 ZINC001592699901 1076955714 /nfs/dbraw/zinc/95/57/14/1076955714.db2.gz REDQWKXHAWITNW-UHFFFAOYSA-N -1 3 320.356 2.367 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCOCc1ccccc1 ZINC001592699901 1076955718 /nfs/dbraw/zinc/95/57/18/1076955718.db2.gz REDQWKXHAWITNW-UHFFFAOYSA-N -1 3 320.356 2.367 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCOc1ccccc1 ZINC001592699671 1076956115 /nfs/dbraw/zinc/95/61/15/1076956115.db2.gz HJFASLZOULGRJM-UHFFFAOYSA-N -1 3 306.329 2.229 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCOc1ccccc1 ZINC001592699671 1076956118 /nfs/dbraw/zinc/95/61/18/1076956118.db2.gz HJFASLZOULGRJM-UHFFFAOYSA-N -1 3 306.329 2.229 20 30 DEEDHM O=C(C=Cc1cn(C2CCC2)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC001592802804 1076960878 /nfs/dbraw/zinc/96/08/78/1076960878.db2.gz ZMCSMFHMJFCLLX-BQYQJAHWSA-N -1 3 321.344 2.079 20 30 DEEDHM O=C(C=Cc1cn(C2CCC2)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC001592802804 1076960879 /nfs/dbraw/zinc/96/08/79/1076960879.db2.gz ZMCSMFHMJFCLLX-BQYQJAHWSA-N -1 3 321.344 2.079 20 30 DEEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC001598443526 1077112155 /nfs/dbraw/zinc/11/21/55/1077112155.db2.gz UORLYGVRHQDWKN-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC001598443526 1077112160 /nfs/dbraw/zinc/11/21/60/1077112160.db2.gz UORLYGVRHQDWKN-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM Cc1ccc(CN2[C@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc1C#N ZINC001600412133 1077196170 /nfs/dbraw/zinc/19/61/70/1077196170.db2.gz ZOJDGSWTVFHHOD-ZCPGHIKRSA-N -1 3 314.385 2.462 20 30 DEEDHM N#Cc1ccc([C@@H](O)CN2CCc3ccc(C(=O)[O-])cc3C2)cc1 ZINC001601095906 1077337331 /nfs/dbraw/zinc/33/73/31/1077337331.db2.gz HIYAWZABQZWYGD-SFHVURJKSA-N -1 3 322.364 2.348 20 30 DEEDHM C#CCC(CC#C)C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609019925 1077742466 /nfs/dbraw/zinc/74/24/66/1077742466.db2.gz LMLWAMQOEKMMHW-CYBMUJFWSA-N -1 3 321.384 2.049 20 30 DEEDHM C#CCC(CC#C)C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609019925 1077742473 /nfs/dbraw/zinc/74/24/73/1077742473.db2.gz LMLWAMQOEKMMHW-CYBMUJFWSA-N -1 3 321.384 2.049 20 30 DEEDHM C=C(Br)CNc1cc(-c2nnn[n-]2)ccc1C(C)=O ZINC001609051012 1077749051 /nfs/dbraw/zinc/74/90/51/1077749051.db2.gz LMSHHEYHNJHVMT-UHFFFAOYSA-N -1 3 322.166 2.390 20 30 DEEDHM C=C(Br)CNc1cc(-c2nn[n-]n2)ccc1C(C)=O ZINC001609051012 1077749056 /nfs/dbraw/zinc/74/90/56/1077749056.db2.gz LMSHHEYHNJHVMT-UHFFFAOYSA-N -1 3 322.166 2.390 20 30 DEEDHM C=C[C@@H](OC(=O)COc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001609052530 1077749612 /nfs/dbraw/zinc/74/96/12/1077749612.db2.gz GCHFTIANZYCLLY-CYBMUJFWSA-N -1 3 316.361 2.389 20 30 DEEDHM C=C[C@@H](OC(=O)COc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001609052530 1077749617 /nfs/dbraw/zinc/74/96/17/1077749617.db2.gz GCHFTIANZYCLLY-CYBMUJFWSA-N -1 3 316.361 2.389 20 30 DEEDHM C=CCC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC ZINC001609052544 1077749763 /nfs/dbraw/zinc/74/97/63/1077749763.db2.gz GPZZJCABNVGTOE-UHFFFAOYSA-N -1 3 300.366 2.449 20 30 DEEDHM C=C[C@@H](Sc1ccc(-c2nnn[n-]2)cc1Cl)C(=O)OC ZINC001609052554 1077749817 /nfs/dbraw/zinc/74/98/17/1077749817.db2.gz HABBQPSDXAKNBG-SECBINFHSA-N -1 3 310.766 2.340 20 30 DEEDHM C=C[C@@H](Sc1ccc(-c2nn[n-]n2)cc1Cl)C(=O)OC ZINC001609052554 1077749819 /nfs/dbraw/zinc/74/98/19/1077749819.db2.gz 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3 302.407 2.085 20 30 DEEDHM C=CC(C)(C)CCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588486221 1076450188 /nfs/dbraw/zinc/45/01/88/1076450188.db2.gz DKXWZWWWSJEGQH-UHFFFAOYSA-N -1 3 314.393 2.268 20 30 DEEDHM C=CC(C)(C)CCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588486221 1076450190 /nfs/dbraw/zinc/45/01/90/1076450190.db2.gz DKXWZWWWSJEGQH-UHFFFAOYSA-N -1 3 314.393 2.268 20 30 DEEDHM C=CC[C@@H](CO)CNc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001588545543 1076454128 /nfs/dbraw/zinc/45/41/28/1076454128.db2.gz IKJHQEUNGSBBDP-SECBINFHSA-N -1 3 316.390 2.073 20 30 DEEDHM C=CC[C@@H](CO)CNc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001588545543 1076454132 /nfs/dbraw/zinc/45/41/32/1076454132.db2.gz IKJHQEUNGSBBDP-SECBINFHSA-N -1 3 316.390 2.073 20 30 DEEDHM C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588559940 1076455219 /nfs/dbraw/zinc/45/52/19/1076455219.db2.gz MFGHKSIXYWIEKC-BXUZGUMPSA-N -1 3 315.377 2.497 20 30 DEEDHM C=CC[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588559940 1076455223 /nfs/dbraw/zinc/45/52/23/1076455223.db2.gz MFGHKSIXYWIEKC-BXUZGUMPSA-N -1 3 315.377 2.497 20 30 DEEDHM C=CCCCCOC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588596122 1076456456 /nfs/dbraw/zinc/45/64/56/1076456456.db2.gz IPSCMSMNCAVMAA-UHFFFAOYSA-N -1 3 302.334 2.145 20 30 DEEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588611461 1076457256 /nfs/dbraw/zinc/45/72/56/1076457256.db2.gz TXIOKTMMDNQKTP-SECBINFHSA-N -1 3 321.768 2.440 20 30 DEEDHM C=CCCO[C@H](C)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588611461 1076457260 /nfs/dbraw/zinc/45/72/60/1076457260.db2.gz TXIOKTMMDNQKTP-SECBINFHSA-N -1 3 321.768 2.440 20 30 DEEDHM C=C[C@@H]1OCCC[C@H]1Nc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001588718216 1076461809 /nfs/dbraw/zinc/46/18/09/1076461809.db2.gz BYRQSJUQBAPNOS-NEPJUHHUSA-N -1 3 307.304 2.290 20 30 DEEDHM C=C[C@@H]1OCCC[C@H]1Nc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001588718216 1076461812 /nfs/dbraw/zinc/46/18/12/1076461812.db2.gz BYRQSJUQBAPNOS-NEPJUHHUSA-N -1 3 307.304 2.290 20 30 DEEDHM C=CCn1cnnc1SCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588716755 1076462201 /nfs/dbraw/zinc/46/22/01/1076462201.db2.gz KSIUDALRHCBBGX-UHFFFAOYSA-N -1 3 313.390 2.245 20 30 DEEDHM C=CCn1cnnc1SCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588716755 1076462202 /nfs/dbraw/zinc/46/22/02/1076462202.db2.gz KSIUDALRHCBBGX-UHFFFAOYSA-N -1 3 313.390 2.245 20 30 DEEDHM C[C@@H](C#N)N(CCCOc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001588934297 1076470446 /nfs/dbraw/zinc/47/04/46/1076470446.db2.gz IIPJVZQCZJZFDW-LBPRGKRZSA-N -1 3 312.377 2.012 20 30 DEEDHM C[C@@H](C#N)N(CCCOc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001588934297 1076470448 /nfs/dbraw/zinc/47/04/48/1076470448.db2.gz IIPJVZQCZJZFDW-LBPRGKRZSA-N -1 3 312.377 2.012 20 30 DEEDHM CC(C)(C#N)CCCn1cc(-c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001589033990 1076472201 /nfs/dbraw/zinc/47/22/01/1076472201.db2.gz OLEPLPXRARNPMT-UHFFFAOYSA-N -1 3 322.376 2.455 20 30 DEEDHM CC(C)(C#N)CCCn1cc(-c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001589033990 1076472202 /nfs/dbraw/zinc/47/22/02/1076472202.db2.gz OLEPLPXRARNPMT-UHFFFAOYSA-N -1 3 322.376 2.455 20 30 DEEDHM C[C@H](CC#N)C(=O)N(c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001589786011 1076514765 /nfs/dbraw/zinc/51/47/65/1076514765.db2.gz CAIUYSQGYCWMDZ-LLVKDONJSA-N -1 3 310.361 2.302 20 30 DEEDHM C[C@H](CC#N)C(=O)N(c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001589786011 1076514769 /nfs/dbraw/zinc/51/47/69/1076514769.db2.gz CAIUYSQGYCWMDZ-LLVKDONJSA-N -1 3 310.361 2.302 20 30 DEEDHM C[C@@H](CC#N)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001589788473 1076515622 /nfs/dbraw/zinc/51/56/22/1076515622.db2.gz WYYITDJGGUAIPK-QMMMGPOBSA-N -1 3 316.390 2.295 20 30 DEEDHM C[C@@H](CC#N)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001589788473 1076515624 /nfs/dbraw/zinc/51/56/24/1076515624.db2.gz WYYITDJGGUAIPK-QMMMGPOBSA-N -1 3 316.390 2.295 20 30 DEEDHM C[C@H](CSc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(C)(C)C ZINC001589891760 1076525898 /nfs/dbraw/zinc/52/58/98/1076525898.db2.gz UMGYWCIITACTDO-MRVPVSSYSA-N -1 3 317.422 2.490 20 30 DEEDHM C[C@H](CSc1nc(N)c(C#N)cc1-c1nn[n-]n1)C(C)(C)C ZINC001589891760 1076525901 /nfs/dbraw/zinc/52/59/01/1076525901.db2.gz UMGYWCIITACTDO-MRVPVSSYSA-N -1 3 317.422 2.490 20 30 DEEDHM C[C@@H](NCc1ccc(C#N)cn1)c1ccc(-c2nnn[n-]2)cc1F ZINC001589970667 1076540408 /nfs/dbraw/zinc/54/04/08/1076540408.db2.gz NFRGCAYVWVFQCL-SNVBAGLBSA-N -1 3 323.335 2.123 20 30 DEEDHM C[C@@H](NCc1ccc(C#N)cn1)c1ccc(-c2nn[n-]n2)cc1F ZINC001589970667 1076540412 /nfs/dbraw/zinc/54/04/12/1076540412.db2.gz NFRGCAYVWVFQCL-SNVBAGLBSA-N -1 3 323.335 2.123 20 30 DEEDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001590223350 1076589330 /nfs/dbraw/zinc/58/93/30/1076589330.db2.gz QCLYJARMTGBOAG-LHMODEAPSA-N -1 3 322.372 2.359 20 30 DEEDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001590223350 1076589332 /nfs/dbraw/zinc/58/93/32/1076589332.db2.gz QCLYJARMTGBOAG-LHMODEAPSA-N -1 3 322.372 2.359 20 30 DEEDHM CCc1c(C)sc(NC(=O)CCCC#N)c1-c1nnn[n-]1 ZINC001590873973 1076687270 /nfs/dbraw/zinc/68/72/70/1076687270.db2.gz OADXQYXJASLQFS-UHFFFAOYSA-N -1 3 304.379 2.431 20 30 DEEDHM CCc1c(C)sc(NC(=O)CCCC#N)c1-c1nn[n-]n1 ZINC001590873973 1076687272 /nfs/dbraw/zinc/68/72/72/1076687272.db2.gz OADXQYXJASLQFS-UHFFFAOYSA-N -1 3 304.379 2.431 20 30 DEEDHM COC(=O)c1coc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001591306212 1076719807 /nfs/dbraw/zinc/71/98/07/1076719807.db2.gz MFIGMOZDGWQBDQ-DAXSKMNVSA-N -1 3 324.296 2.142 20 30 DEEDHM COC(=O)c1coc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591306212 1076719811 /nfs/dbraw/zinc/71/98/11/1076719811.db2.gz MFIGMOZDGWQBDQ-DAXSKMNVSA-N -1 3 324.296 2.142 20 30 DEEDHM CO[C@@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC001591327952 1076724750 /nfs/dbraw/zinc/72/47/50/1076724750.db2.gz YKDZUWDOCYZBAR-HNNXBMFYSA-N -1 3 314.393 2.147 20 30 DEEDHM CO[C@@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC001591327952 1076724751 /nfs/dbraw/zinc/72/47/51/1076724751.db2.gz YKDZUWDOCYZBAR-HNNXBMFYSA-N -1 3 314.393 2.147 20 30 DEEDHM COc1c(O)cccc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001591479142 1076747425 /nfs/dbraw/zinc/74/74/25/1076747425.db2.gz LXAFIMDVZMTTED-CMDGGOBGSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1c(O)cccc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001591479142 1076747430 /nfs/dbraw/zinc/74/74/30/1076747430.db2.gz LXAFIMDVZMTTED-CMDGGOBGSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1ccc2c(c1)CCN2c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591627204 1076767692 /nfs/dbraw/zinc/76/76/92/1076767692.db2.gz XVXVDNSQEFAIRN-UHFFFAOYSA-N -1 3 318.340 2.441 20 30 DEEDHM COc1ccc2c(c1)CCN2c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591627204 1076767696 /nfs/dbraw/zinc/76/76/96/1076767696.db2.gz XVXVDNSQEFAIRN-UHFFFAOYSA-N -1 3 318.340 2.441 20 30 DEEDHM Cc1c(C#N)cccc1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001591800131 1076785849 /nfs/dbraw/zinc/78/58/49/1076785849.db2.gz WMEXKXZUDSEPOT-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1c(C#N)cccc1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001591800131 1076785850 /nfs/dbraw/zinc/78/58/50/1076785850.db2.gz WMEXKXZUDSEPOT-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1c(C(=O)NCC(C)(C)CCC#N)cccc1-c1nnn[n-]1 ZINC001591808601 1076787280 /nfs/dbraw/zinc/78/72/80/1076787280.db2.gz WNAKPQNXINUTLS-UHFFFAOYSA-N -1 3 312.377 2.235 20 30 DEEDHM Cc1c(C(=O)NCC(C)(C)CCC#N)cccc1-c1nn[n-]n1 ZINC001591808601 1076787283 /nfs/dbraw/zinc/78/72/83/1076787283.db2.gz WNAKPQNXINUTLS-UHFFFAOYSA-N -1 3 312.377 2.235 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)O[C@H](C#N)C(C)C ZINC001591845485 1076792623 /nfs/dbraw/zinc/79/26/23/1076792623.db2.gz YACRHJHTOIAXBH-CQSZACIVSA-N -1 3 313.361 2.117 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)O[C@H](C#N)C(C)C ZINC001591845485 1076792626 /nfs/dbraw/zinc/79/26/26/1076792626.db2.gz YACRHJHTOIAXBH-CQSZACIVSA-N -1 3 313.361 2.117 20 30 DEEDHM Cc1cc(N=NC2CCc3ccc(-c4nn[n-]n4)cc32)nc(C)n1 ZINC001592053702 1076841037 /nfs/dbraw/zinc/84/10/37/1076841037.db2.gz PIRLYVOAQPYIRM-UHFFFAOYSA-N -1 3 320.360 2.036 20 30 DEEDHM Cc1ccc(C)c(OCCCn2cnc(C#N)c2-c2nnn[n-]2)c1 ZINC001592140140 1076856747 /nfs/dbraw/zinc/85/67/47/1076856747.db2.gz LDVGGEPVZQXYAJ-UHFFFAOYSA-N -1 3 323.360 2.021 20 30 DEEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(NCC(C)(C)C#N)c2c1 ZINC001592208443 1076874449 /nfs/dbraw/zinc/87/44/49/1076874449.db2.gz APGASJVQPOWPLD-UHFFFAOYSA-N -1 3 307.361 2.107 20 30 DEEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(NCC(C)(C)C#N)c2c1 ZINC001592208443 1076874451 /nfs/dbraw/zinc/87/44/51/1076874451.db2.gz APGASJVQPOWPLD-UHFFFAOYSA-N -1 3 307.361 2.107 20 30 DEEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2cccc(C#N)c2)n1 ZINC001592353841 1076901666 /nfs/dbraw/zinc/90/16/66/1076901666.db2.gz XQQSYWLIGPXEQV-UHFFFAOYSA-N -1 3 323.385 2.438 20 30 DEEDHM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2cccc(C#N)c2)n1 ZINC001592353841 1076901669 /nfs/dbraw/zinc/90/16/69/1076901669.db2.gz XQQSYWLIGPXEQV-UHFFFAOYSA-N -1 3 323.385 2.438 20 30 DEEDHM Cc1ncsc1CN(C)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001592425145 1076912529 /nfs/dbraw/zinc/91/25/29/1076912529.db2.gz WHKYEFNQRBZFDJ-UHFFFAOYSA-N -1 3 311.374 2.140 20 30 DEEDHM Cc1ncsc1CN(C)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001592425145 1076912532 /nfs/dbraw/zinc/91/25/32/1076912532.db2.gz WHKYEFNQRBZFDJ-UHFFFAOYSA-N -1 3 311.374 2.140 20 30 DEEDHM FC1(F)CCC[C@H]1CNN=Cc1csc(-c2nnn[n-]2)c1 ZINC001592628576 1076934879 /nfs/dbraw/zinc/93/48/79/1076934879.db2.gz VGQDWTLOPBMTPU-VIFPVBQESA-N -1 3 312.349 2.287 20 30 DEEDHM N#CC1(CNc2ncc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC001592670262 1076949511 /nfs/dbraw/zinc/94/95/11/1076949511.db2.gz WOJQNNIHWZHDBB-UHFFFAOYSA-N -1 3 303.757 2.411 20 30 DEEDHM N#CC1(CNc2ncc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC001592670262 1076949515 /nfs/dbraw/zinc/94/95/15/1076949515.db2.gz WOJQNNIHWZHDBB-UHFFFAOYSA-N -1 3 303.757 2.411 20 30 DEEDHM N#CC1(NC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)CCCC1 ZINC001592670550 1076949658 /nfs/dbraw/zinc/94/96/58/1076949658.db2.gz FPJAWLXLIHILKX-UHFFFAOYSA-N -1 3 316.752 2.086 20 30 DEEDHM N#CC1(NC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)CCCC1 ZINC001592670550 1076949661 /nfs/dbraw/zinc/94/96/61/1076949661.db2.gz FPJAWLXLIHILKX-UHFFFAOYSA-N -1 3 316.752 2.086 20 30 DEEDHM N#CC1(CNc2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CCC1 ZINC001592670388 1076949682 /nfs/dbraw/zinc/94/96/82/1076949682.db2.gz ZZEDSUSPHHLEEN-UHFFFAOYSA-N -1 3 317.284 2.020 20 30 DEEDHM N#CC1(CNc2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CCC1 ZINC001592670388 1076949685 /nfs/dbraw/zinc/94/96/85/1076949685.db2.gz ZZEDSUSPHHLEEN-UHFFFAOYSA-N -1 3 317.284 2.020 20 30 DEEDHM N#CCCCCCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N ZINC001592675465 1076950354 /nfs/dbraw/zinc/95/03/54/1076950354.db2.gz ULZMRAAFACUHDM-UHFFFAOYSA-N -1 3 317.328 2.001 20 30 DEEDHM N#CCCCCCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N ZINC001592675465 1076950356 /nfs/dbraw/zinc/95/03/56/1076950356.db2.gz ULZMRAAFACUHDM-UHFFFAOYSA-N -1 3 317.328 2.001 20 30 DEEDHM N#CCc1ccc(NC(=O)c2cscc2-c2nnn[n-]2)cc1 ZINC001592680335 1076951567 /nfs/dbraw/zinc/95/15/67/1076951567.db2.gz WJNZYRCJCGNUTN-UHFFFAOYSA-N -1 3 310.342 2.247 20 30 DEEDHM N#CCc1ccc(NC(=O)c2cscc2-c2nn[n-]n2)cc1 ZINC001592680335 1076951571 /nfs/dbraw/zinc/95/15/71/1076951571.db2.gz WJNZYRCJCGNUTN-UHFFFAOYSA-N -1 3 310.342 2.247 20 30 DEEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCCC2CCC2)nc1N ZINC001592687254 1076952497 /nfs/dbraw/zinc/95/24/97/1076952497.db2.gz QYZBNQHVLPEAIP-UHFFFAOYSA-N -1 3 315.406 2.388 20 30 DEEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCCC2CCC2)nc1N ZINC001592687254 1076952499 /nfs/dbraw/zinc/95/24/99/1076952499.db2.gz QYZBNQHVLPEAIP-UHFFFAOYSA-N -1 3 315.406 2.388 20 30 DEEDHM N#Cc1ccc(NC(=O)[C@H]2CCC(F)(F)C2)cc1-c1nnn[n-]1 ZINC001592695114 1076953142 /nfs/dbraw/zinc/95/31/42/1076953142.db2.gz IDDSBGYXQLXTDJ-QMMMGPOBSA-N -1 3 318.287 2.112 20 30 DEEDHM N#Cc1ccc(NC(=O)[C@H]2CCC(F)(F)C2)cc1-c1nn[n-]n1 ZINC001592695114 1076953144 /nfs/dbraw/zinc/95/31/44/1076953144.db2.gz IDDSBGYXQLXTDJ-QMMMGPOBSA-N -1 3 318.287 2.112 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC(c2ccc(F)cc2)C1 ZINC001592698100 1076954918 /nfs/dbraw/zinc/95/49/18/1076954918.db2.gz HZFNDHPLKVVJTC-UHFFFAOYSA-N -1 3 320.331 2.481 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC(c2ccc(F)cc2)C1 ZINC001592698100 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DEEDHM O=C(Cn1ccccc1=O)N([O-])Cc1cccc2ccccc21 ZINC001184340490 796047025 /nfs/dbraw/zinc/04/70/25/796047025.db2.gz NUXQRQGRWLWOOA-UHFFFAOYSA-N -1 3 308.337 2.420 20 30 DEEDHM N#Cc1cccc2c1CC[C@H]2NC(=O)c1[n-]c(=O)ccc1Cl ZINC001184816075 796132351 /nfs/dbraw/zinc/13/23/51/796132351.db2.gz OSOFZVRJWFCAMW-CYBMUJFWSA-N -1 3 313.744 2.156 20 30 DEEDHM CNc1ccc(C#N)cc1NC(=O)c1ccccc1-c1nnn[n-]1 ZINC001187008589 796470562 /nfs/dbraw/zinc/47/05/62/796470562.db2.gz GKMPWSXBHXDWBZ-UHFFFAOYSA-N -1 3 319.328 2.032 20 30 DEEDHM CNc1ccc(C#N)cc1NC(=O)c1ccccc1-c1nn[n-]n1 ZINC001187008589 796470566 /nfs/dbraw/zinc/47/05/66/796470566.db2.gz GKMPWSXBHXDWBZ-UHFFFAOYSA-N -1 3 319.328 2.032 20 30 DEEDHM N#CCc1cccc(NC(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC001187008528 796470676 /nfs/dbraw/zinc/47/06/76/796470676.db2.gz FBTMGYHDGGJBNO-UHFFFAOYSA-N -1 3 304.313 2.185 20 30 DEEDHM N#CCc1cccc(NC(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001187008528 796470678 /nfs/dbraw/zinc/47/06/78/796470678.db2.gz FBTMGYHDGGJBNO-UHFFFAOYSA-N -1 3 304.313 2.185 20 30 DEEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(=O)Nc1cc(Cl)ccc1Cl ZINC001189008616 796755247 /nfs/dbraw/zinc/75/52/47/796755247.db2.gz JIRSUDSPRSOFHX-WKEGUHRASA-N -1 3 318.160 2.351 20 30 DEEDHM COc1cc([O-])c(C(=O)N[C@H]2CC[C@H](C#N)CC2)c(OC)c1 ZINC001190144026 796938765 /nfs/dbraw/zinc/93/87/65/796938765.db2.gz CGNOIHINZYSIPY-XYPYZODXSA-N -1 3 304.346 2.222 20 30 DEEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1 ZINC001190607988 797040451 /nfs/dbraw/zinc/04/04/51/797040451.db2.gz GZHBBMYBINZCPK-UHFFFAOYSA-N -1 3 308.309 2.315 20 30 DEEDHM CCCCC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190669772 797045126 /nfs/dbraw/zinc/04/51/26/797045126.db2.gz YOROUUZSNUESRX-JTQLQIEISA-N -1 3 312.366 2.123 20 30 DEEDHM C=CCC1(S(=O)(=O)[N-]c2cc(F)cc(C(=O)OC)c2)CC1 ZINC001190813527 797093717 /nfs/dbraw/zinc/09/37/17/797093717.db2.gz JWYPGANRJCIASB-UHFFFAOYSA-N -1 3 313.350 2.463 20 30 DEEDHM N#Cc1c(F)c(F)cc([N-]S(=O)(=O)c2ccncc2)c1F ZINC001190903970 797110646 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KFPRQIWFGHCFNF-KWQFWETISA-N -1 3 306.753 2.240 20 30 DEEDHM Cc1c(Cl)nc(C(C)(C)C)nc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001160176462 798658521 /nfs/dbraw/zinc/65/85/21/798658521.db2.gz SOCOMYQZNODAIX-CBAPKCEASA-N -1 3 312.801 2.384 20 30 DEEDHM CC[C@H](C)c1nc2[nH]ccc2c(N[C@@H]2C(=O)N([O-])C[C@@H]2C)n1 ZINC001160178559 798658561 /nfs/dbraw/zinc/65/85/61/798658561.db2.gz KKKTUUACMHSSDC-QXEWZRGKSA-N -1 3 303.366 2.119 20 30 DEEDHM CC(=O)c1cccc(NC(=O)COc2cccc(C#N)c2)c1[O-] ZINC001160320554 798674152 /nfs/dbraw/zinc/67/41/52/798674152.db2.gz AQUXUMAMVLZEDA-UHFFFAOYSA-N -1 3 310.309 2.484 20 30 DEEDHM CCN(CCC#N)c1nc(Cl)nc2[n-]c(C(=O)OC)cc21 ZINC001166591224 799894838 /nfs/dbraw/zinc/89/48/38/799894838.db2.gz HXIRRTLEMRIAME-UHFFFAOYSA-N -1 3 307.741 2.138 20 30 DEEDHM C#C[C@H](Oc1ccc(-c2nnn[n-]2)cc1OC)c1ccncc1 ZINC001229341893 801260956 /nfs/dbraw/zinc/26/09/56/801260956.db2.gz NETFVNWVZQBEGE-ZDUSSCGKSA-N -1 3 307.313 2.024 20 30 DEEDHM C#C[C@H](Oc1ccc(-c2nn[n-]n2)cc1OC)c1ccncc1 ZINC001229341893 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C=C[C@](C)(CC)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602790710 1069756688 /nfs/dbraw/zinc/75/66/88/1069756688.db2.gz RPASHNRNEYJRER-OAHLLOKOSA-N -1 3 303.341 2.224 20 30 DEEDHM C=C[C@@](C)(CCOC)COC(=O)c1sccc1-c1nnn[n-]1 ZINC001602794570 1069757363 /nfs/dbraw/zinc/75/73/63/1069757363.db2.gz LCVDHSGUMVCGOY-AWEZNQCLSA-N -1 3 322.390 2.314 20 30 DEEDHM C=CCCNc1ccc(-c2nn[n-]n2)cc1COCCOC ZINC001602840736 1069773050 /nfs/dbraw/zinc/77/30/50/1069773050.db2.gz DJCAKOOMRRAKFJ-UHFFFAOYSA-N -1 3 303.366 2.018 20 30 DEEDHM C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001603649355 1070017734 /nfs/dbraw/zinc/01/77/34/1070017734.db2.gz NCAFHSYAIAAZDJ-VIFPVBQESA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001603649355 1070017745 /nfs/dbraw/zinc/01/77/45/1070017745.db2.gz NCAFHSYAIAAZDJ-VIFPVBQESA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@@H](NCc1ccc(C#N)cn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603667560 1070033197 /nfs/dbraw/zinc/03/31/97/1070033197.db2.gz DLOGMAHWEVRODG-SNVBAGLBSA-N -1 3 323.335 2.123 20 30 DEEDHM C[C@@H](NCc1ccc(C#N)cn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001603667560 1070033203 /nfs/dbraw/zinc/03/32/03/1070033203.db2.gz DLOGMAHWEVRODG-SNVBAGLBSA-N -1 3 323.335 2.123 20 30 DEEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)C1(C#N)CCCC1 ZINC001603733570 1070066338 /nfs/dbraw/zinc/06/63/38/1070066338.db2.gz ZMHCFSCCWVJBDQ-GFCCVEGCSA-N -1 3 324.388 2.470 20 30 DEEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)C1(C#N)CCCC1 ZINC001603733570 1070066356 /nfs/dbraw/zinc/06/63/56/1070066356.db2.gz ZMHCFSCCWVJBDQ-GFCCVEGCSA-N -1 3 324.388 2.470 20 30 DEEDHM CCCCCCCCNC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001604175142 1070263440 /nfs/dbraw/zinc/26/34/40/1070263440.db2.gz AUYJTGDNHBLLAA-UHFFFAOYSA-N -1 3 302.382 2.352 20 30 DEEDHM CCCCCCCCNC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001604175142 1070263452 /nfs/dbraw/zinc/26/34/52/1070263452.db2.gz AUYJTGDNHBLLAA-UHFFFAOYSA-N -1 3 302.382 2.352 20 30 DEEDHM COc1cc(C=CC(=O)c2cscn2)ccc1-c1nnn[n-]1 ZINC001605206341 1070643079 /nfs/dbraw/zinc/64/30/79/1070643079.db2.gz UJSPTATVHBRPKX-HWKANZROSA-N -1 3 313.342 2.228 20 30 DEEDHM COc1cc(C=CC(=O)c2cscn2)ccc1-c1nn[n-]n1 ZINC001605206341 1070643087 /nfs/dbraw/zinc/64/30/87/1070643087.db2.gz UJSPTATVHBRPKX-HWKANZROSA-N -1 3 313.342 2.228 20 30 DEEDHM COc1ccc(C=NNc2ncccc2C)cc1-c1nnn[n-]1 ZINC001605269931 1070666248 /nfs/dbraw/zinc/66/62/48/1070666248.db2.gz JOIIJNNGZXHPJM-UHFFFAOYSA-N -1 3 309.333 2.025 20 30 DEEDHM COc1ccc(C=NNc2ncccc2C)cc1-c1nn[n-]n1 ZINC001605269931 1070666257 /nfs/dbraw/zinc/66/62/57/1070666257.db2.gz JOIIJNNGZXHPJM-UHFFFAOYSA-N -1 3 309.333 2.025 20 30 DEEDHM Cc1c(C(=O)NCC2CCC(C#N)CC2)cccc1-c1nnn[n-]1 ZINC001605474978 1070727966 /nfs/dbraw/zinc/72/79/66/1070727966.db2.gz HBNYVUHMTKFJOC-UHFFFAOYSA-N -1 3 324.388 2.235 20 30 DEEDHM Cc1c(C(=O)NCC2CCC(C#N)CC2)cccc1-c1nn[n-]n1 ZINC001605474978 1070727978 /nfs/dbraw/zinc/72/79/78/1070727978.db2.gz HBNYVUHMTKFJOC-UHFFFAOYSA-N -1 3 324.388 2.235 20 30 DEEDHM Cc1nnn(N=C2CCCCc3cc(-c4nnn[n-]4)ccc32)c1C ZINC001606125359 1071047163 /nfs/dbraw/zinc/04/71/63/1071047163.db2.gz PUEGGTSSEQFVMU-UHFFFAOYSA-N -1 3 322.376 2.054 20 30 DEEDHM Cc1nnn(N=C2CCCCc3cc(-c4nn[n-]n4)ccc32)c1C ZINC001606125359 1071047168 /nfs/dbraw/zinc/04/71/68/1071047168.db2.gz PUEGGTSSEQFVMU-UHFFFAOYSA-N -1 3 322.376 2.054 20 30 DEEDHM Clc1cc(N=NC2CO[C@H](C3CC3)C2)ccc1-c1nnn[n-]1 ZINC001606188870 1071073091 /nfs/dbraw/zinc/07/30/91/1071073091.db2.gz FBLIMYZWUYANDS-ZDUSSCGKSA-N -1 3 318.768 2.487 20 30 DEEDHM Clc1cc(N=NC2CO[C@H](C3CC3)C2)ccc1-c1nn[n-]n1 ZINC001606188870 1071073100 /nfs/dbraw/zinc/07/31/00/1071073100.db2.gz FBLIMYZWUYANDS-ZDUSSCGKSA-N -1 3 318.768 2.487 20 30 DEEDHM N#C[C@@H](c1ccccc1)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001606340501 1071127750 /nfs/dbraw/zinc/12/77/50/1071127750.db2.gz RROVIWWVUOILJJ-INIZCTEOSA-N -1 3 302.341 2.447 20 30 DEEDHM N#C[C@@H](c1ccccc1)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001606340501 1071127754 /nfs/dbraw/zinc/12/77/54/1071127754.db2.gz RROVIWWVUOILJJ-INIZCTEOSA-N -1 3 302.341 2.447 20 30 DEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCc1ccccc1 ZINC001606357217 1071131464 /nfs/dbraw/zinc/13/14/64/1071131464.db2.gz KGUBJTRZABDFMY-UHFFFAOYSA-N -1 3 309.358 2.008 20 30 DEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1ccccc1 ZINC001606357217 1071131477 /nfs/dbraw/zinc/13/14/77/1071131477.db2.gz KGUBJTRZABDFMY-UHFFFAOYSA-N -1 3 309.358 2.008 20 30 DEEDHM N#CCCCN[C@@H](c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC001606348008 1071130612 /nfs/dbraw/zinc/13/06/12/1071130612.db2.gz ITCAUJQVQMSRBW-NSHDSACASA-N -1 3 310.283 2.363 20 30 DEEDHM N#CCCCN[C@@H](c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC001606348008 1071130616 /nfs/dbraw/zinc/13/06/16/1071130616.db2.gz ITCAUJQVQMSRBW-NSHDSACASA-N -1 3 310.283 2.363 20 30 DEEDHM C=C(CCC(=O)OC)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC001466541562 1059489592 /nfs/dbraw/zinc/48/95/92/1059489592.db2.gz AGXINFJPEVXVEB-UHFFFAOYSA-N -1 3 321.329 2.017 20 30 DEEDHM Cc1cccc([O-])c1C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 ZINC001469875364 1060021529 /nfs/dbraw/zinc/02/15/29/1060021529.db2.gz XELQFDBMPQGSLK-INIZCTEOSA-N -1 3 310.353 2.378 20 30 DEEDHM CC(C)c1nnc(CCC(=O)[N-]Oc2cccc(C#N)c2)o1 ZINC001471085463 1060179877 /nfs/dbraw/zinc/17/98/77/1060179877.db2.gz FDLZPQZXGCMAGY-UHFFFAOYSA-N -1 3 300.318 2.107 20 30 DEEDHM Cc1[nH]nc(C(=O)N([O-])CCCCc2ccccc2)c1[N+](=O)[O-] ZINC001472620261 1060553837 /nfs/dbraw/zinc/55/38/37/1060553837.db2.gz VMICCICFRGCKLN-UHFFFAOYSA-N -1 3 318.333 2.481 20 30 DEEDHM CCCCCCN([O-])C(=O)[C@H](COC)NC(=O)OC(C)(C)C ZINC001472621090 1060555196 /nfs/dbraw/zinc/55/51/96/1060555196.db2.gz GPFDIRYILVWURH-LBPRGKRZSA-N -1 3 318.414 2.324 20 30 DEEDHM FC(F)(F)c1ccc(C#CCN2CC[C@H](c3nnn[n-]3)C2)cc1 ZINC001620535800 1078164807 /nfs/dbraw/zinc/16/48/07/1078164807.db2.gz AJWMUZBUFJFHTN-LBPRGKRZSA-N -1 3 321.306 2.060 20 30 DEEDHM FC(F)(F)c1ccc(C#CCN2CC[C@H](c3nn[n-]n3)C2)cc1 ZINC001620535800 1078164808 /nfs/dbraw/zinc/16/48/08/1078164808.db2.gz AJWMUZBUFJFHTN-LBPRGKRZSA-N -1 3 321.306 2.060 20 30 DEEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc2c(c1)oc1ccccc12 ZINC001624906547 1078232866 /nfs/dbraw/zinc/23/28/66/1078232866.db2.gz MUWDXKPSYCPCKA-CYBMUJFWSA-N -1 3 310.309 2.306 20 30 DEEDHM C#Cc1ccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC001627882235 1078284473 /nfs/dbraw/zinc/28/44/73/1078284473.db2.gz AITQFFJSVHGRPV-UHFFFAOYSA-N -1 3 311.337 2.321 20 30 DEEDHM C=CCCC(=O)N(C)[C@@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001576250135 1066535353 /nfs/dbraw/zinc/53/53/53/1066535353.db2.gz LGRMTTHHBCIQBI-CYBMUJFWSA-N -1 3 302.374 2.031 20 30 DEEDHM N#Cc1ccccc1C=CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000050603726 1078474256 /nfs/dbraw/zinc/47/42/56/1078474256.db2.gz NCZWYZYHZIYKQM-AATRIKPKSA-N -1 3 307.235 2.347 20 30 DEEDHM N#Cc1ccccc1C=CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000050603726 1078474257 /nfs/dbraw/zinc/47/42/57/1078474257.db2.gz NCZWYZYHZIYKQM-AATRIKPKSA-N -1 3 307.235 2.347 20 30 DEEDHM C#Cc1cccc(CNC(=O)c2cc(NC(C)=O)ccc2[O-])c1 ZINC001638023989 1078545195 /nfs/dbraw/zinc/54/51/95/1078545195.db2.gz PAUPACZPNDSCCL-UHFFFAOYSA-N -1 3 308.337 2.262 20 30 DEEDHM C=C(C)CCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C[C@@H]1C ZINC001572400197 1068753512 /nfs/dbraw/zinc/75/35/12/1068753512.db2.gz HKZRBKJDCHXQJK-KBPBESRZSA-N -1 3 316.401 2.468 20 30 DEEDHM Cn1ncc2c1nc(SCc1ccc(C#N)cc1F)[n-]c2=O ZINC001644087877 1078828875 /nfs/dbraw/zinc/82/88/75/1078828875.db2.gz WGTCWRJLMZJWSL-UHFFFAOYSA-N -1 3 315.333 2.372 20 30 DEEDHM C=C[C@@H](C(=O)NCc1cc(=O)[n-]c(=S)[nH]1)c1ccccc1 ZINC001644272887 1078837427 /nfs/dbraw/zinc/83/74/27/1078837427.db2.gz KBBWYBAEHVUMCM-GFCCVEGCSA-N -1 3 301.371 2.057 20 30 DEEDHM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1CCCSCC#N ZINC001559949753 1075131317 /nfs/dbraw/zinc/13/13/17/1075131317.db2.gz KYIKDBVKPDYIFC-QWRGUYRKSA-N -1 3 323.384 2.165 20 30 DEEDHM Cc1cc(C(=O)Nc2ccncc2C#N)cc(C)c1-c1nnn[n-]1 ZINC001580886778 1076014440 /nfs/dbraw/zinc/01/44/40/1076014440.db2.gz BTLFFCZKRZVFFS-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(C(=O)Nc2ccncc2C#N)cc(C)c1-c1nn[n-]n1 ZINC001580886778 1076014444 /nfs/dbraw/zinc/01/44/44/1076014444.db2.gz BTLFFCZKRZVFFS-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(OC(=O)c2cc(C#N)ccc2F)ccc1-c1nnn[n-]1 ZINC001581041085 1076035932 /nfs/dbraw/zinc/03/59/32/1076035932.db2.gz HLDXBZJDZNSKBZ-UHFFFAOYSA-N -1 3 323.287 2.405 20 30 DEEDHM Cc1cc(OC(=O)c2cc(C#N)ccc2F)ccc1-c1nn[n-]n1 ZINC001581041085 1076035938 /nfs/dbraw/zinc/03/59/38/1076035938.db2.gz HLDXBZJDZNSKBZ-UHFFFAOYSA-N -1 3 323.287 2.405 20 30 DEEDHM N#Cc1cnn(Cc2ccc(-c3nnn[n-]3)cc2C(F)(F)F)c1 ZINC001581883816 1076107991 /nfs/dbraw/zinc/10/79/91/1076107991.db2.gz XYLWJYMLSNPJLG-UHFFFAOYSA-N -1 3 319.250 2.002 20 30 DEEDHM N#Cc1cnn(Cc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)c1 ZINC001581883816 1076107993 /nfs/dbraw/zinc/10/79/93/1076107993.db2.gz XYLWJYMLSNPJLG-UHFFFAOYSA-N -1 3 319.250 2.002 20 30 DEEDHM C#C[C@H](Nc1cc(C)c(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC001588328652 1076440198 /nfs/dbraw/zinc/44/01/98/1076440198.db2.gz MULRVARJONSWGS-AWEZNQCLSA-N -1 3 308.320 2.496 20 30 DEEDHM C#C[C@H](Nc1cc(C)c(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC001588328652 1076440201 /nfs/dbraw/zinc/44/02/01/1076440201.db2.gz MULRVARJONSWGS-AWEZNQCLSA-N -1 3 308.320 2.496 20 30 DEEDHM C#CCC1(NC(=O)c2sccc2-c2nnn[n-]2)CCCCC1 ZINC001588335169 1076442351 /nfs/dbraw/zinc/44/23/51/1076442351.db2.gz AMIJAELFTWFECT-UHFFFAOYSA-N -1 3 315.402 2.384 20 30 DEEDHM C#CCC1(NC(=O)c2sccc2-c2nn[n-]n2)CCCCC1 ZINC001588335169 1076442353 /nfs/dbraw/zinc/44/23/53/1076442353.db2.gz AMIJAELFTWFECT-UHFFFAOYSA-N -1 3 315.402 2.384 20 30 DEEDHM C#Cc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC001588374782 1076444138 /nfs/dbraw/zinc/44/41/38/1076444138.db2.gz NSKMNMSMFJJGCY-UHFFFAOYSA-N -1 3 320.312 2.368 20 30 DEEDHM C#Cc1cccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC001588374782 1076444140 /nfs/dbraw/zinc/44/41/40/1076444140.db2.gz NSKMNMSMFJJGCY-UHFFFAOYSA-N -1 3 320.312 2.368 20 30 DEEDHM C=C(C)CCNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588425287 1076447725 /nfs/dbraw/zinc/44/77/25/1076447725.db2.gz ZPOOJEJYQXXCMV-LLVKDONJSA-N -1 3 300.366 2.193 20 30 DEEDHM C=C(C)CCNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588425287 1076447729 /nfs/dbraw/zinc/44/77/29/1076447729.db2.gz ZPOOJEJYQXXCMV-LLVKDONJSA-N -1 3 300.366 2.193 20 30 DEEDHM C=CCC(C)(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588538233 1076452548 /nfs/dbraw/zinc/45/25/48/1076452548.db2.gz LFDQVBNMKHYNMV-UHFFFAOYSA-N -1 3 303.341 2.224 20 30 DEEDHM C=CCC(C)(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588538233 1076452553 /nfs/dbraw/zinc/45/25/53/1076452553.db2.gz LFDQVBNMKHYNMV-UHFFFAOYSA-N -1 3 303.341 2.224 20 30 DEEDHM C=CC[C@@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588539341 1076452620 /nfs/dbraw/zinc/45/26/20/1076452620.db2.gz HSVYNBFIVSBYPU-BXUZGUMPSA-N -1 3 311.345 2.057 20 30 DEEDHM C=CC[C@@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588539341 1076452624 /nfs/dbraw/zinc/45/26/24/1076452624.db2.gz HSVYNBFIVSBYPU-BXUZGUMPSA-N -1 3 311.345 2.057 20 30 DEEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588558805 1076453907 /nfs/dbraw/zinc/45/39/07/1076453907.db2.gz DLXGPLOFBRMJAA-AAEUAGOBSA-N -1 3 312.377 2.126 20 30 DEEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588558805 1076453908 /nfs/dbraw/zinc/45/39/08/1076453908.db2.gz DLXGPLOFBRMJAA-AAEUAGOBSA-N -1 3 312.377 2.126 20 30 DEEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588558813 1076453924 /nfs/dbraw/zinc/45/39/24/1076453924.db2.gz DMXHRCULBIUUAH-JQWIXIFHSA-N -1 3 300.366 2.060 20 30 DEEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588558813 1076453925 /nfs/dbraw/zinc/45/39/25/1076453925.db2.gz DMXHRCULBIUUAH-JQWIXIFHSA-N -1 3 300.366 2.060 20 30 DEEDHM C=CCC1(O)CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC001588558007 1076454041 /nfs/dbraw/zinc/45/40/41/1076454041.db2.gz YRIRBTRTFUARDC-UHFFFAOYSA-N -1 3 319.796 2.428 20 30 DEEDHM C=CCC1(O)CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC001588558007 1076454043 /nfs/dbraw/zinc/45/40/43/1076454043.db2.gz YRIRBTRTFUARDC-UHFFFAOYSA-N -1 3 319.796 2.428 20 30 DEEDHM C=CCCNC(=O)N(CC=C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588609572 1076457107 /nfs/dbraw/zinc/45/71/07/1076457107.db2.gz QRYWJKNIGHWXMH-UHFFFAOYSA-N -1 3 312.377 2.140 20 30 DEEDHM C=CCCNC(=O)N(CC=C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588609572 1076457110 /nfs/dbraw/zinc/45/71/10/1076457110.db2.gz QRYWJKNIGHWXMH-UHFFFAOYSA-N -1 3 312.377 2.140 20 30 DEEDHM C=CCNC(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588658443 1076459457 /nfs/dbraw/zinc/45/94/57/1076459457.db2.gz KFSPZNRLKWJTFJ-UHFFFAOYSA-N -1 3 316.365 2.352 20 30 DEEDHM C=CCNC(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588658443 1076459460 /nfs/dbraw/zinc/45/94/60/1076459460.db2.gz KFSPZNRLKWJTFJ-UHFFFAOYSA-N -1 3 316.365 2.352 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1C=CCC1 ZINC001588641545 1076459661 /nfs/dbraw/zinc/45/96/61/1076459661.db2.gz HRUDQPLNOTXUCK-HNNXBMFYSA-N -1 3 324.388 2.283 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1C=CCC1 ZINC001588641545 1076459664 /nfs/dbraw/zinc/45/96/64/1076459664.db2.gz HRUDQPLNOTXUCK-HNNXBMFYSA-N -1 3 324.388 2.283 20 30 DEEDHM C=CCOc1ccc(OC(=O)c2cnccc2-c2nnn[n-]2)cc1 ZINC001588690209 1076460868 /nfs/dbraw/zinc/46/08/68/1076460868.db2.gz WRLCEFIOOLFPGF-UHFFFAOYSA-N -1 3 323.312 2.046 20 30 DEEDHM C=CCOc1ccc(OC(=O)c2cnccc2-c2nn[n-]n2)cc1 ZINC001588690209 1076460870 /nfs/dbraw/zinc/46/08/70/1076460870.db2.gz WRLCEFIOOLFPGF-UHFFFAOYSA-N -1 3 323.312 2.046 20 30 DEEDHM CC(=NN[C@@H](C)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC001588776164 1076463562 /nfs/dbraw/zinc/46/35/62/1076463562.db2.gz ALNYQJYNOSMWCC-ZETCQYMHSA-N -1 3 316.262 2.270 20 30 DEEDHM CC(=NN[C@@H](C)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC001588776164 1076463569 /nfs/dbraw/zinc/46/35/69/1076463569.db2.gz ALNYQJYNOSMWCC-ZETCQYMHSA-N -1 3 316.262 2.270 20 30 DEEDHM CC(C)[C@@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589437003 1076488794 /nfs/dbraw/zinc/48/87/94/1076488794.db2.gz PCVNINIDQDNJCB-BXUZGUMPSA-N -1 3 313.361 2.137 20 30 DEEDHM CC(C)[C@@H](C)OC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589437003 1076488796 /nfs/dbraw/zinc/48/87/96/1076488796.db2.gz PCVNINIDQDNJCB-BXUZGUMPSA-N -1 3 313.361 2.137 20 30 DEEDHM CC(C)c1cc(CNc2c(C#N)cccc2-c2nnn[n-]2)on1 ZINC001589767383 1076512006 /nfs/dbraw/zinc/51/20/06/1076512006.db2.gz XGKNAVZYTIFUIK-UHFFFAOYSA-N -1 3 309.333 2.462 20 30 DEEDHM CC(C)c1cc(CNc2c(C#N)cccc2-c2nn[n-]n2)on1 ZINC001589767383 1076512009 /nfs/dbraw/zinc/51/20/09/1076512009.db2.gz XGKNAVZYTIFUIK-UHFFFAOYSA-N -1 3 309.333 2.462 20 30 DEEDHM C[C@H](CC#N)NCc1ccc(-c2nnn[n-]2)cc1Br ZINC001589787342 1076516285 /nfs/dbraw/zinc/51/62/85/1076516285.db2.gz JWCJXSFOBGDOAD-MRVPVSSYSA-N -1 3 321.182 2.021 20 30 DEEDHM C[C@H](CC#N)NCc1ccc(-c2nn[n-]n2)cc1Br ZINC001589787342 1076516287 /nfs/dbraw/zinc/51/62/87/1076516287.db2.gz JWCJXSFOBGDOAD-MRVPVSSYSA-N -1 3 321.182 2.021 20 30 DEEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CCC1(F)F ZINC001590313306 1076610234 /nfs/dbraw/zinc/61/02/34/1076610234.db2.gz NUHUQBDNYLIBOG-SECBINFHSA-N -1 3 304.304 2.220 20 30 DEEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CCC1(F)F ZINC001590313306 1076610241 /nfs/dbraw/zinc/61/02/41/1076610241.db2.gz NUHUQBDNYLIBOG-SECBINFHSA-N -1 3 304.304 2.220 20 30 DEEDHM CCC#C[C@@H](C)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001590355498 1076615806 /nfs/dbraw/zinc/61/58/06/1076615806.db2.gz SEHBIBDUODWPBF-CJNGLKHVSA-N -1 3 311.389 2.042 20 30 DEEDHM CCC#C[C@@H](C)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590355498 1076615809 /nfs/dbraw/zinc/61/58/09/1076615809.db2.gz SEHBIBDUODWPBF-CJNGLKHVSA-N -1 3 311.389 2.042 20 30 DEEDHM CC[C@@](C)(C#N)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001590371650 1076616526 /nfs/dbraw/zinc/61/65/26/1076616526.db2.gz GTYJTRULUMBPRK-PBHICJAKSA-N -1 3 324.388 2.300 20 30 DEEDHM CC[C@@](C)(C#N)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001590371650 1076616527 /nfs/dbraw/zinc/61/65/27/1076616527.db2.gz GTYJTRULUMBPRK-PBHICJAKSA-N -1 3 324.388 2.300 20 30 DEEDHM CC[C@H](C)NN=Cc1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001590413834 1076624403 /nfs/dbraw/zinc/62/44/03/1076624403.db2.gz FZUYAVUJEJPZKU-ZDUSSCGKSA-N -1 3 323.404 2.439 20 30 DEEDHM CC[C@H](C)NN=Cc1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001590413834 1076624405 /nfs/dbraw/zinc/62/44/05/1076624405.db2.gz FZUYAVUJEJPZKU-ZDUSSCGKSA-N -1 3 323.404 2.439 20 30 DEEDHM CCC(CC)CNN=Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001590434464 1076627196 /nfs/dbraw/zinc/62/71/96/1076627196.db2.gz PJPOHBRLOJXLLN-UHFFFAOYSA-N -1 3 302.382 2.235 20 30 DEEDHM CCC(CC)CNN=Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001590434464 1076627199 /nfs/dbraw/zinc/62/71/99/1076627199.db2.gz PJPOHBRLOJXLLN-UHFFFAOYSA-N -1 3 302.382 2.235 20 30 DEEDHM CCC(CC)CN(CCC#N)Cc1cncc(-c2nnn[n-]2)c1 ZINC001590433949 1076627210 /nfs/dbraw/zinc/62/72/10/1076627210.db2.gz ROBBVZXGWGHFHD-UHFFFAOYSA-N -1 3 313.409 2.414 20 30 DEEDHM CCC(CC)CN(CCC#N)Cc1cncc(-c2nn[n-]n2)c1 ZINC001590433949 1076627213 /nfs/dbraw/zinc/62/72/13/1076627213.db2.gz ROBBVZXGWGHFHD-UHFFFAOYSA-N -1 3 313.409 2.414 20 30 DEEDHM CN(C(=O)Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCC[C@H]1C#N ZINC001590985202 1076701192 /nfs/dbraw/zinc/70/11/92/1076701192.db2.gz KDTHPMCENOJUGH-AAEUAGOBSA-N -1 3 311.349 2.023 20 30 DEEDHM CN(C(=O)Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCC[C@H]1C#N ZINC001590985202 1076701197 /nfs/dbraw/zinc/70/11/97/1076701197.db2.gz KDTHPMCENOJUGH-AAEUAGOBSA-N -1 3 311.349 2.023 20 30 DEEDHM CN(C)c1ncccc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001591036078 1076704905 /nfs/dbraw/zinc/70/49/05/1076704905.db2.gz CKPFIQHXBTVQPU-KTKRTIGZSA-N -1 3 320.356 2.224 20 30 DEEDHM CN(C)c1ncccc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001591036078 1076704907 /nfs/dbraw/zinc/70/49/07/1076704907.db2.gz CKPFIQHXBTVQPU-KTKRTIGZSA-N -1 3 320.356 2.224 20 30 DEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cccc(C#N)c1 ZINC001591136011 1076711095 /nfs/dbraw/zinc/71/10/95/1076711095.db2.gz ZUFIDDYSTDMONO-UHFFFAOYSA-N -1 3 318.340 2.011 20 30 DEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cccc(C#N)c1 ZINC001591136011 1076711099 /nfs/dbraw/zinc/71/10/99/1076711099.db2.gz ZUFIDDYSTDMONO-UHFFFAOYSA-N -1 3 318.340 2.011 20 30 DEEDHM COC(=O)c1ccccc1NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC001591304524 1076719908 /nfs/dbraw/zinc/71/99/08/1076719908.db2.gz YXLSRTYJZJNHPZ-UHFFFAOYSA-N -1 3 322.328 2.099 20 30 DEEDHM COC(=O)c1ccccc1NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC001591304524 1076719911 /nfs/dbraw/zinc/71/99/11/1076719911.db2.gz YXLSRTYJZJNHPZ-UHFFFAOYSA-N -1 3 322.328 2.099 20 30 DEEDHM CO[C@@H](CNc1c(C#N)cccc1-c1nnn[n-]1)C1CCCC1 ZINC001591330458 1076725081 /nfs/dbraw/zinc/72/50/81/1076725081.db2.gz YTOQJAWDBWWWDM-AWEZNQCLSA-N -1 3 312.377 2.355 20 30 DEEDHM CO[C@@H](CNc1c(C#N)cccc1-c1nn[n-]n1)C1CCCC1 ZINC001591330458 1076725085 /nfs/dbraw/zinc/72/50/85/1076725085.db2.gz YTOQJAWDBWWWDM-AWEZNQCLSA-N -1 3 312.377 2.355 20 30 DEEDHM CO[C@@H]1CCCC(=NNCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591352879 1076730889 /nfs/dbraw/zinc/73/08/89/1076730889.db2.gz CGURTLYIIFSMND-OAHLLOKOSA-N -1 3 314.393 2.291 20 30 DEEDHM CO[C@@H]1CCCC(=NNCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591352879 1076730892 /nfs/dbraw/zinc/73/08/92/1076730892.db2.gz CGURTLYIIFSMND-OAHLLOKOSA-N -1 3 314.393 2.291 20 30 DEEDHM CO[C@H]1CCCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC001591353872 1076731496 /nfs/dbraw/zinc/73/14/96/1076731496.db2.gz LZRACCNLPBOISG-JTQLQIEISA-N -1 3 321.772 2.272 20 30 DEEDHM CO[C@H]1CCCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC001591353872 1076731503 /nfs/dbraw/zinc/73/15/03/1076731503.db2.gz LZRACCNLPBOISG-JTQLQIEISA-N -1 3 321.772 2.272 20 30 DEEDHM COc1cc(CN2CCC[C@@](C)(C#N)C2)ccc1-c1nnn[n-]1 ZINC001591525080 1076753523 /nfs/dbraw/zinc/75/35/23/1076753523.db2.gz GDJUJJCBAGWOPB-INIZCTEOSA-N -1 3 312.377 2.001 20 30 DEEDHM COc1cc(CN2CCC[C@@](C)(C#N)C2)ccc1-c1nn[n-]n1 ZINC001591525080 1076753528 /nfs/dbraw/zinc/75/35/28/1076753528.db2.gz GDJUJJCBAGWOPB-INIZCTEOSA-N -1 3 312.377 2.001 20 30 DEEDHM COc1cc(CNc2cc(F)cc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001591536809 1076755347 /nfs/dbraw/zinc/75/53/47/1076755347.db2.gz CCFMQZNSZPUYKN-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1cc(CNc2cc(F)cc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001591536809 1076755352 /nfs/dbraw/zinc/75/53/52/1076755352.db2.gz CCFMQZNSZPUYKN-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1cccc(C=NCc2ccc(-c3nnn[n-]3)cc2)c1O ZINC001591634449 1076767149 /nfs/dbraw/zinc/76/71/49/1076767149.db2.gz FEINTKVEADEZSV-LICLKQGHSA-N -1 3 309.329 2.200 20 30 DEEDHM COc1cccc(C=NCc2ccc(-c3nn[n-]n3)cc2)c1O ZINC001591634449 1076767152 /nfs/dbraw/zinc/76/71/52/1076767152.db2.gz FEINTKVEADEZSV-LICLKQGHSA-N -1 3 309.329 2.200 20 30 DEEDHM CS[C@@H]1CCCC(N=Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001591689602 1076772579 /nfs/dbraw/zinc/77/25/79/1076772579.db2.gz FYBMHPNTQZQPRW-LLVKDONJSA-N -1 3 303.395 2.335 20 30 DEEDHM CS[C@@H]1CCCC(N=Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001591689602 1076772583 /nfs/dbraw/zinc/77/25/83/1076772583.db2.gz FYBMHPNTQZQPRW-LLVKDONJSA-N -1 3 303.395 2.335 20 30 DEEDHM C[C@H](OC(=O)c1coc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001591771298 1076782861 /nfs/dbraw/zinc/78/28/61/1076782861.db2.gz MYZKFBGBWIBYSF-VIFPVBQESA-N -1 3 309.285 2.249 20 30 DEEDHM C[C@H](OC(=O)c1coc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001591771298 1076782868 /nfs/dbraw/zinc/78/28/68/1076782868.db2.gz MYZKFBGBWIBYSF-VIFPVBQESA-N -1 3 309.285 2.249 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC001591862758 1076798048 /nfs/dbraw/zinc/79/80/48/1076798048.db2.gz FDVHJLVPRREYJC-DGCLKSJQSA-N -1 3 311.345 2.414 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC001591862758 1076798050 /nfs/dbraw/zinc/79/80/50/1076798050.db2.gz FDVHJLVPRREYJC-DGCLKSJQSA-N -1 3 311.345 2.414 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N(CC#N)c1ccccc1 ZINC001592095127 1076845888 /nfs/dbraw/zinc/84/58/88/1076845888.db2.gz QHULIOQYMKYGFF-UHFFFAOYSA-N -1 3 318.340 2.346 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N(CC#N)c1ccccc1 ZINC001592095127 1076845893 /nfs/dbraw/zinc/84/58/93/1076845893.db2.gz QHULIOQYMKYGFF-UHFFFAOYSA-N -1 3 318.340 2.346 20 30 DEEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(OCCOCCC#N)c2c1 ZINC001592210792 1076876643 /nfs/dbraw/zinc/87/66/43/1076876643.db2.gz XXSTYYISQNMUDE-UHFFFAOYSA-N -1 3 324.344 2.032 20 30 DEEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(OCCOCCC#N)c2c1 ZINC001592210792 1076876648 /nfs/dbraw/zinc/87/66/48/1076876648.db2.gz XXSTYYISQNMUDE-UHFFFAOYSA-N -1 3 324.344 2.032 20 30 DEEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCC1(CC#N)CC1 ZINC001592242583 1076881268 /nfs/dbraw/zinc/88/12/68/1076881268.db2.gz FSZCGBCCLFFPFM-UHFFFAOYSA-N -1 3 319.372 2.251 20 30 DEEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCC1(CC#N)CC1 ZINC001592242583 1076881270 /nfs/dbraw/zinc/88/12/70/1076881270.db2.gz FSZCGBCCLFFPFM-UHFFFAOYSA-N -1 3 319.372 2.251 20 30 DEEDHM Cc1ccnc(NCc2ccc(CC#N)cc2)c1-c1nnn[n-]1 ZINC001592275073 1076888437 /nfs/dbraw/zinc/88/84/37/1076888437.db2.gz YEQGUFXMOFLAMV-UHFFFAOYSA-N -1 3 305.345 2.248 20 30 DEEDHM Cc1ccnc(NCc2ccc(CC#N)cc2)c1-c1nn[n-]n1 ZINC001592275073 1076888442 /nfs/dbraw/zinc/88/84/42/1076888442.db2.gz YEQGUFXMOFLAMV-UHFFFAOYSA-N -1 3 305.345 2.248 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccc(OC(C)C)cc1 ZINC001592341423 1076900679 /nfs/dbraw/zinc/90/06/79/1076900679.db2.gz XNLHICVNERIYLF-UHFFFAOYSA-N -1 3 323.360 2.079 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccc(OC(C)C)cc1 ZINC001592341423 1076900681 /nfs/dbraw/zinc/90/06/81/1076900681.db2.gz XNLHICVNERIYLF-UHFFFAOYSA-N -1 3 323.360 2.079 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCCc1cccc(F)c1 ZINC001592341044 1076901265 /nfs/dbraw/zinc/90/12/65/1076901265.db2.gz OWAWEZMVERXAEL-UHFFFAOYSA-N -1 3 311.324 2.015 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCCc1cccc(F)c1 ZINC001592341044 1076901269 /nfs/dbraw/zinc/90/12/69/1076901269.db2.gz OWAWEZMVERXAEL-UHFFFAOYSA-N -1 3 311.324 2.015 20 30 DEEDHM Cc1nc(C)c(C#N)c(SCc2cccc(-c3nnn[n-]3)c2)n1 ZINC001592353041 1076901997 /nfs/dbraw/zinc/90/19/97/1076901997.db2.gz FGGNDURHHLMUGE-UHFFFAOYSA-N -1 3 323.385 2.438 20 30 DEEDHM Cc1nc(C)c(C#N)c(SCc2cccc(-c3nn[n-]n3)c2)n1 ZINC001592353041 1076901999 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CC(C)CN(CCC#N)CCOc1ccccc1-c1nnn[n-]1 ZINC000735827628 598863024 /nfs/dbraw/zinc/86/30/24/598863024.db2.gz RXAQJYXCXRBJJQ-UHFFFAOYSA-N -1 3 314.393 2.117 20 30 DEEDHM CC(C)CN(CCC#N)CCOc1ccccc1-c1nn[n-]n1 ZINC000735827628 598863025 /nfs/dbraw/zinc/86/30/25/598863025.db2.gz RXAQJYXCXRBJJQ-UHFFFAOYSA-N -1 3 314.393 2.117 20 30 DEEDHM N#Cc1cc(NC(=O)c2ccc(Cl)o2)ccc1-c1nnn[n-]1 ZINC000737710194 598917322 /nfs/dbraw/zinc/91/73/22/598917322.db2.gz VFSSDLFQBLATQD-UHFFFAOYSA-N -1 3 314.692 2.237 20 30 DEEDHM N#Cc1cc(NC(=O)c2ccc(Cl)o2)ccc1-c1nn[n-]n1 ZINC000737710194 598917324 /nfs/dbraw/zinc/91/73/24/598917324.db2.gz VFSSDLFQBLATQD-UHFFFAOYSA-N -1 3 314.692 2.237 20 30 DEEDHM C=CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccncc1 ZINC000735410197 598969297 /nfs/dbraw/zinc/96/92/97/598969297.db2.gz WUROWUVBKXAIQV-HNNXBMFYSA-N -1 3 320.356 2.309 20 30 DEEDHM C=CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccncc1 ZINC000735410197 598969299 /nfs/dbraw/zinc/96/92/99/598969299.db2.gz WUROWUVBKXAIQV-HNNXBMFYSA-N -1 3 320.356 2.309 20 30 DEEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC000736244560 599201694 /nfs/dbraw/zinc/20/16/94/599201694.db2.gz KCFQIZRTYMVZLS-OTYXRUKQSA-N -1 3 316.390 2.130 20 30 DEEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2sccc2-c2nn[n-]n2)C1 ZINC000736244560 599201696 /nfs/dbraw/zinc/20/16/96/599201696.db2.gz KCFQIZRTYMVZLS-OTYXRUKQSA-N -1 3 316.390 2.130 20 30 DEEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736244023 599201815 /nfs/dbraw/zinc/20/18/15/599201815.db2.gz CTSXAAQUPXTPTL-MEDUHNTESA-N -1 3 310.361 2.069 20 30 DEEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736244023 599201818 /nfs/dbraw/zinc/20/18/18/599201818.db2.gz CTSXAAQUPXTPTL-MEDUHNTESA-N -1 3 310.361 2.069 20 30 DEEDHM O=C([O-])[C@@H]1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000821511757 597352498 /nfs/dbraw/zinc/35/24/98/597352498.db2.gz QKRGMEWPEZHFMZ-GFCCVEGCSA-N -1 3 313.275 2.343 20 30 DEEDHM Oc1cccc(C=NCc2ccc(-c3nnn[n-]3)cc2F)c1O ZINC000738400432 598296976 /nfs/dbraw/zinc/29/69/76/598296976.db2.gz HEVOENSHYZTAQB-CAOOACKPSA-N -1 3 313.292 2.036 20 30 DEEDHM Oc1cccc(C=NCc2ccc(-c3nn[n-]n3)cc2F)c1O ZINC000738400432 598296977 /nfs/dbraw/zinc/29/69/77/598296977.db2.gz HEVOENSHYZTAQB-CAOOACKPSA-N -1 3 313.292 2.036 20 30 DEEDHM CN(CCC#N)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736789621 598317253 /nfs/dbraw/zinc/31/72/53/598317253.db2.gz AKAIRWASPUGAGQ-UHFFFAOYSA-N -1 3 321.797 2.062 20 30 DEEDHM CN(CCC#N)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736789621 598317255 /nfs/dbraw/zinc/31/72/55/598317255.db2.gz AKAIRWASPUGAGQ-UHFFFAOYSA-N -1 3 321.797 2.062 20 30 DEEDHM C(=NNc1ccnc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000735401015 598391941 /nfs/dbraw/zinc/39/19/41/598391941.db2.gz VLSIUWZXWWLCMP-UHFFFAOYSA-N -1 3 315.340 2.283 20 30 DEEDHM C(=NNc1ccnc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000735401015 598391943 /nfs/dbraw/zinc/39/19/43/598391943.db2.gz VLSIUWZXWWLCMP-UHFFFAOYSA-N -1 3 315.340 2.283 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C[C@@H](C#N)CCC#N ZINC000735426294 598788472 /nfs/dbraw/zinc/78/84/72/598788472.db2.gz OVXLGLWLFQEJIV-OAHLLOKOSA-N -1 3 321.388 2.298 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C[C@@H](C#N)CCC#N ZINC000735426294 598788473 /nfs/dbraw/zinc/78/84/73/598788473.db2.gz OVXLGLWLFQEJIV-OAHLLOKOSA-N -1 3 321.388 2.298 20 30 DEEDHM C=C(Cl)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735402407 599497877 /nfs/dbraw/zinc/49/78/77/599497877.db2.gz VABJBZRCXFOHMM-UHFFFAOYSA-N -1 3 313.148 2.394 20 30 DEEDHM C=C(Cl)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735402407 599497879 /nfs/dbraw/zinc/49/78/79/599497879.db2.gz VABJBZRCXFOHMM-UHFFFAOYSA-N -1 3 313.148 2.394 20 30 DEEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-] ZINC000736108932 600367492 /nfs/dbraw/zinc/36/74/92/600367492.db2.gz WQJGGGOLCWGBMT-STQMWFEESA-N -1 3 324.446 2.304 20 30 DEEDHM C=C(C)CN(CC)C(=O)CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000825642534 601649771 /nfs/dbraw/zinc/64/97/71/601649771.db2.gz VNVQZGQPZBERAM-WMLDXEAASA-N -1 3 318.417 2.463 20 30 DEEDHM COC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000831453118 601852232 /nfs/dbraw/zinc/85/22/32/601852232.db2.gz ISHKKSRTGOLLLE-MRXNPFEDSA-N -1 3 324.336 2.260 20 30 DEEDHM C[C@H](C#N)CN(Cc1cc(F)ccc1-c1nnn[n-]1)C1CC1 ZINC000824035372 607831303 /nfs/dbraw/zinc/83/13/03/607831303.db2.gz YBZFFGDNNLZVMG-SNVBAGLBSA-N -1 3 300.341 2.130 20 30 DEEDHM C[C@H](C#N)CN(Cc1cc(F)ccc1-c1nn[n-]n1)C1CC1 ZINC000824035372 607831304 /nfs/dbraw/zinc/83/13/04/607831304.db2.gz YBZFFGDNNLZVMG-SNVBAGLBSA-N -1 3 300.341 2.130 20 30 DEEDHM C[C@H]1CN(Cc2ccc(C#N)cc2Br)C[C@H]1C(=O)[O-] ZINC000833629877 605354958 /nfs/dbraw/zinc/35/49/58/605354958.db2.gz NRWBXPVOSKZIED-JOYOIKCWSA-N -1 3 323.190 2.473 20 30 DEEDHM N#CC(C(=O)CCCCNC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000833960767 605909271 /nfs/dbraw/zinc/90/92/71/605909271.db2.gz KSOJBXAHVMLSGE-JTQLQIEISA-N -1 3 300.318 2.177 20 30 DEEDHM C#CC[C@@H](OC(=O)CCc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000819688420 606135487 /nfs/dbraw/zinc/13/54/87/606135487.db2.gz IVYMRPKTUJJHIF-OAHLLOKOSA-N -1 3 312.373 2.390 20 30 DEEDHM C#CC[C@@H](OC(=O)CCc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000819688420 606135489 /nfs/dbraw/zinc/13/54/89/606135489.db2.gz IVYMRPKTUJJHIF-OAHLLOKOSA-N -1 3 312.373 2.390 20 30 DEEDHM N#Cc1ccc(NC(=O)[C@H]2CC23CCCC3)cc1-c1nnn[n-]1 ZINC000822829923 606150092 /nfs/dbraw/zinc/15/00/92/606150092.db2.gz PJKFMZMKJGNVIG-CYBMUJFWSA-N -1 3 308.345 2.257 20 30 DEEDHM N#Cc1ccc(NC(=O)[C@H]2CC23CCCC3)cc1-c1nn[n-]n1 ZINC000822829923 606150094 /nfs/dbraw/zinc/15/00/94/606150094.db2.gz PJKFMZMKJGNVIG-CYBMUJFWSA-N -1 3 308.345 2.257 20 30 DEEDHM C[C@@H](NC(=O)C#Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820316665 606153529 /nfs/dbraw/zinc/15/35/29/606153529.db2.gz WXQSNMMCXGRZGJ-CYBMUJFWSA-N -1 3 317.352 2.096 20 30 DEEDHM C[C@@H](NC(=O)C#Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820316665 606153531 /nfs/dbraw/zinc/15/35/31/606153531.db2.gz WXQSNMMCXGRZGJ-CYBMUJFWSA-N -1 3 317.352 2.096 20 30 DEEDHM Fc1ccc(CNN=Cc2cc(-c3nnn[n-]3)cs2)cc1F ZINC000822772172 606206377 /nfs/dbraw/zinc/20/63/77/606206377.db2.gz RWONQUHBFANQMP-UHFFFAOYSA-N -1 3 320.328 2.330 20 30 DEEDHM Fc1ccc(CNN=Cc2cc(-c3nn[n-]n3)cs2)cc1F ZINC000822772172 606206378 /nfs/dbraw/zinc/20/63/78/606206378.db2.gz RWONQUHBFANQMP-UHFFFAOYSA-N -1 3 320.328 2.330 20 30 DEEDHM N#Cc1ccsc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000822842399 606270183 /nfs/dbraw/zinc/27/01/83/606270183.db2.gz GWMNADMPHPGCCV-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1ccsc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000822842399 606270185 /nfs/dbraw/zinc/27/01/85/606270185.db2.gz GWMNADMPHPGCCV-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819740181 606273304 /nfs/dbraw/zinc/27/33/04/606273304.db2.gz SFLXNMVXVPQGNT-UHFFFAOYSA-N -1 3 314.393 2.403 20 30 DEEDHM C=CCN(CC1CCCCC1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819740181 606273306 /nfs/dbraw/zinc/27/33/06/606273306.db2.gz SFLXNMVXVPQGNT-UHFFFAOYSA-N -1 3 314.393 2.403 20 30 DEEDHM CCc1cc(C)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)o1 ZINC000821471268 607237924 /nfs/dbraw/zinc/23/79/24/607237924.db2.gz XTAKPRJNTKRCKZ-UHFFFAOYSA-N -1 3 322.328 2.455 20 30 DEEDHM CCc1cc(C)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)o1 ZINC000821471268 607237925 /nfs/dbraw/zinc/23/79/25/607237925.db2.gz XTAKPRJNTKRCKZ-UHFFFAOYSA-N -1 3 322.328 2.455 20 30 DEEDHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C(C)(C)C#N ZINC000824715014 607806109 /nfs/dbraw/zinc/80/61/09/607806109.db2.gz QHHYDWYGJINWKS-TYBABMIJSA-N -1 3 311.345 2.361 20 30 DEEDHM C[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C(C)(C)C#N ZINC000824715014 607806110 /nfs/dbraw/zinc/80/61/10/607806110.db2.gz QHHYDWYGJINWKS-TYBABMIJSA-N -1 3 311.345 2.361 20 30 DEEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(C#N)o1 ZINC000825782851 607975339 /nfs/dbraw/zinc/97/53/39/607975339.db2.gz RPFOHJMYRGRZSH-UHFFFAOYSA-N -1 3 305.301 2.368 20 30 DEEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(C#N)o1 ZINC000825782851 607975340 /nfs/dbraw/zinc/97/53/40/607975340.db2.gz RPFOHJMYRGRZSH-UHFFFAOYSA-N -1 3 305.301 2.368 20 30 DEEDHM Cc1c(NC(=O)c2ccc(CC#N)cc2)cccc1-c1nnn[n-]1 ZINC000826242425 607994840 /nfs/dbraw/zinc/99/48/40/607994840.db2.gz ODCMSHLRXGMGEM-UHFFFAOYSA-N -1 3 318.340 2.494 20 30 DEEDHM Cc1c(NC(=O)c2ccc(CC#N)cc2)cccc1-c1nn[n-]n1 ZINC000826242425 607994841 /nfs/dbraw/zinc/99/48/41/607994841.db2.gz ODCMSHLRXGMGEM-UHFFFAOYSA-N -1 3 318.340 2.494 20 30 DEEDHM CN(C(=O)c1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825830582 608005776 /nfs/dbraw/zinc/00/57/76/608005776.db2.gz XEJGTGBYAXKAMP-UHFFFAOYSA-N -1 3 318.340 2.209 20 30 DEEDHM CN(C(=O)c1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825830582 608005777 /nfs/dbraw/zinc/00/57/77/608005777.db2.gz XEJGTGBYAXKAMP-UHFFFAOYSA-N -1 3 318.340 2.209 20 30 DEEDHM N#CCc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000826382190 608006509 /nfs/dbraw/zinc/00/65/09/608006509.db2.gz RWWJBHPHIZHFDP-UHFFFAOYSA-N -1 3 322.303 2.324 20 30 DEEDHM N#CCc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000826382190 608006510 /nfs/dbraw/zinc/00/65/10/608006510.db2.gz RWWJBHPHIZHFDP-UHFFFAOYSA-N -1 3 322.303 2.324 20 30 DEEDHM C=CCNC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823919940 608205040 /nfs/dbraw/zinc/20/50/40/608205040.db2.gz SXQXJXYCUCIRCJ-MRVPVSSYSA-N -1 3 323.809 2.303 20 30 DEEDHM C=CCNC(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823919940 608205041 /nfs/dbraw/zinc/20/50/41/608205041.db2.gz SXQXJXYCUCIRCJ-MRVPVSSYSA-N -1 3 323.809 2.303 20 30 DEEDHM COc1cc(-c2nnn[n-]2)ccc1COc1ccccc1C#N ZINC000826173184 608260398 /nfs/dbraw/zinc/26/03/98/608260398.db2.gz QXTFBBNXGZIAKN-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM COc1cc(-c2nn[n-]n2)ccc1COc1ccccc1C#N ZINC000826173184 608260399 /nfs/dbraw/zinc/26/03/99/608260399.db2.gz QXTFBBNXGZIAKN-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM C#CCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000823837868 608298910 /nfs/dbraw/zinc/29/89/10/608298910.db2.gz IADBSLZSTCPBSC-UHFFFAOYSA-N -1 3 313.361 2.398 20 30 DEEDHM C#CCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000823837868 608298912 /nfs/dbraw/zinc/29/89/12/608298912.db2.gz IADBSLZSTCPBSC-UHFFFAOYSA-N -1 3 313.361 2.398 20 30 DEEDHM C#CCCCCC(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC000823842254 608323030 /nfs/dbraw/zinc/32/30/30/608323030.db2.gz ZSVCPFMONINRLQ-UHFFFAOYSA-N -1 3 314.345 2.112 20 30 DEEDHM C#CCCCCC(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC000823842254 608323032 /nfs/dbraw/zinc/32/30/32/608323032.db2.gz ZSVCPFMONINRLQ-UHFFFAOYSA-N -1 3 314.345 2.112 20 30 DEEDHM C#CCCCCC(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823841988 608323112 /nfs/dbraw/zinc/32/31/12/608323112.db2.gz WTTHFGOPKBHMMJ-UHFFFAOYSA-N -1 3 314.345 2.112 20 30 DEEDHM C#CCCCCC(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823841988 608323114 /nfs/dbraw/zinc/32/31/14/608323114.db2.gz WTTHFGOPKBHMMJ-UHFFFAOYSA-N -1 3 314.345 2.112 20 30 DEEDHM C[C@@H](C#N)CN(C)c1ccc(-c2nn[n-]n2)cc1Br ZINC000824035275 608367253 /nfs/dbraw/zinc/36/72/53/608367253.db2.gz VQAOULPSTXMMKO-QMMMGPOBSA-N -1 3 321.182 2.225 20 30 DEEDHM N#CCN(Cc1cccc(-c2nnn[n-]2)c1F)C1CCCC1 ZINC000826381865 608396820 /nfs/dbraw/zinc/39/68/20/608396820.db2.gz BZIDHUZLDTYHMA-UHFFFAOYSA-N -1 3 300.341 2.274 20 30 DEEDHM N#CCN(Cc1cccc(-c2nn[n-]n2)c1F)C1CCCC1 ZINC000826381865 608396822 /nfs/dbraw/zinc/39/68/22/608396822.db2.gz BZIDHUZLDTYHMA-UHFFFAOYSA-N -1 3 300.341 2.274 20 30 DEEDHM C=CC[C@@H](CO)CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000823888659 608411684 /nfs/dbraw/zinc/41/16/84/608411684.db2.gz SSXUTISJCFGGIC-LLVKDONJSA-N -1 3 310.361 2.011 20 30 DEEDHM C=CC[C@@H](CO)CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000823888659 608411685 /nfs/dbraw/zinc/41/16/85/608411685.db2.gz SSXUTISJCFGGIC-LLVKDONJSA-N -1 3 310.361 2.011 20 30 DEEDHM Cc1cc(C)c(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)[nH]1 ZINC000826262981 608537370 /nfs/dbraw/zinc/53/73/70/608537370.db2.gz GPXIAWBLOJBSOU-UHFFFAOYSA-N -1 3 316.756 2.306 20 30 DEEDHM Cc1cc(C)c(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)[nH]1 ZINC000826262981 608537372 /nfs/dbraw/zinc/53/73/72/608537372.db2.gz GPXIAWBLOJBSOU-UHFFFAOYSA-N -1 3 316.756 2.306 20 30 DEEDHM C=CCN(Cc1cn(C)nc1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914439 608632002 /nfs/dbraw/zinc/63/20/02/608632002.db2.gz IRONXXVABHILHH-UHFFFAOYSA-N -1 3 323.404 2.097 20 30 DEEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc(Cl)n1 ZINC000123951667 625707323 /nfs/dbraw/zinc/70/73/23/625707323.db2.gz HNPGULDOWSBQJS-LLVKDONJSA-N -1 3 314.732 2.400 20 30 DEEDHM N#Cc1cccnc1N1CCN(Cc2ccc([O-])c(F)c2)CC1 ZINC000891540977 624473187 /nfs/dbraw/zinc/47/31/87/624473187.db2.gz YJSBJGVSJYXTFW-UHFFFAOYSA-N -1 3 312.348 2.120 20 30 DEEDHM Cc1cc(C)cc(OCCCn2ccc(C=N[O-])nc2=O)c1 ZINC000736303312 633593355 /nfs/dbraw/zinc/59/33/55/633593355.db2.gz WXKDRMGFUXVXDD-UHFFFAOYSA-N -1 3 301.346 2.137 20 30 DEEDHM N#Cc1cc(F)cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000921619016 633787616 /nfs/dbraw/zinc/78/76/16/633787616.db2.gz GOXMQRGXLRCCIT-GZMMTYOYSA-N -1 3 322.283 2.174 20 30 DEEDHM C=CCO[N-]C(=O)[C@@H]1CCc2nnc(-c3cccc(C)c3)n2C1 ZINC000837045462 650160137 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AVRNOELBBVRUBX-SDQBBNPISA-N -1 3 319.324 2.180 20 30 DEEDHM O=C1C(=Cc2ccccc2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001607037045 1071284153 /nfs/dbraw/zinc/28/41/53/1071284153.db2.gz JZIYZQHTJKBOMR-JYRVWZFOSA-N -1 3 303.325 2.474 20 30 DEEDHM O=C1C(=Cc2ccccc2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001607037045 1071284159 /nfs/dbraw/zinc/28/41/59/1071284159.db2.gz JZIYZQHTJKBOMR-JYRVWZFOSA-N -1 3 303.325 2.474 20 30 DEEDHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC001458009913 1058040792 /nfs/dbraw/zinc/04/07/92/1058040792.db2.gz HMZIUOPMKQENGZ-ZDUSSCGKSA-N -1 3 320.389 2.374 20 30 DEEDHM O=C1[C@@H](NCc2ccc(C(F)(F)F)nc2Cl)CCCN1[O-] ZINC001462405146 1058818459 /nfs/dbraw/zinc/81/84/59/1058818459.db2.gz QEZPTXFWXKLMPX-QMMMGPOBSA-N -1 3 323.702 2.224 20 30 DEEDHM Cc1cccc(CO[N-]C(=O)Cc2ccc(OCC#N)cc2)n1 ZINC001470618930 1060117629 /nfs/dbraw/zinc/11/76/29/1060117629.db2.gz JJQBAWAHOUOUGE-UHFFFAOYSA-N -1 3 311.341 2.083 20 30 DEEDHM Cc1oc(C#N)cc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001472110978 1060413737 /nfs/dbraw/zinc/41/37/37/1060413737.db2.gz MSPVXRVTJUCJAM-YFKPBYRVSA-N -1 3 313.239 2.088 20 30 DEEDHM C/C=C\C[C@H]1CCCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1 ZINC001473687665 1060710902 /nfs/dbraw/zinc/71/09/02/1060710902.db2.gz ICJUELWHOQVVHI-ZRMMWKCHSA-N -1 3 311.389 2.485 20 30 DEEDHM C=CC[C@H]([N-]S(=O)(=O)CC(C)(C)C(C)C)C(=O)OCC ZINC001475186319 1060977442 /nfs/dbraw/zinc/97/74/42/1060977442.db2.gz YMOUCRVVUJDPDW-LBPRGKRZSA-N -1 3 305.440 2.096 20 30 DEEDHM C=C(C)C(C)(C)C(=O)NCC1(NC(=O)c2ccccc2[O-])CC1 ZINC001535710057 1072122427 /nfs/dbraw/zinc/12/24/27/1072122427.db2.gz GUAPQNLVABWKBP-UHFFFAOYSA-N -1 3 316.401 2.373 20 30 DEEDHM C=CCCC[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001622099581 1078184275 /nfs/dbraw/zinc/18/42/75/1078184275.db2.gz PTKAHVPDNQNDCO-UHFFFAOYSA-N -1 3 302.327 2.287 20 30 DEEDHM C#Cc1cccc(N(CC)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC001628219422 1078293418 /nfs/dbraw/zinc/29/34/18/1078293418.db2.gz YALQBELSTVCZEZ-UHFFFAOYSA-N -1 3 311.297 2.343 20 30 DEEDHM C#CCN1CCCN(C(=O)c2ccc(C(C)C)cc2[O-])CC1 ZINC001629542615 1078320661 /nfs/dbraw/zinc/32/06/61/1078320661.db2.gz UZASQSXSJUTQNM-UHFFFAOYSA-N -1 3 300.402 2.297 20 30 DEEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)NCc2cccc(C#N)c2)c1 ZINC001629705853 1078324447 /nfs/dbraw/zinc/32/44/47/1078324447.db2.gz KJNICGSONSQRBS-UHFFFAOYSA-N -1 3 321.336 2.318 20 30 DEEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1sccc1-c1ccc(F)cc1 ZINC001636352278 1078474279 /nfs/dbraw/zinc/47/42/79/1078474279.db2.gz GBXIOYRLFAUFJF-GFCCVEGCSA-N -1 3 320.345 2.274 20 30 DEEDHM Cc1cc(C#N)cc(NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC001638795534 1078581486 /nfs/dbraw/zinc/58/14/86/1078581486.db2.gz BHFHRWPCXONAMM-UHFFFAOYSA-N -1 3 305.293 2.003 20 30 DEEDHM Cc1nn(C)c(C(=O)N([O-])Cc2ccccc2Cl)c1[N+](=O)[O-] ZINC001639054484 1078592073 /nfs/dbraw/zinc/59/20/73/1078592073.db2.gz OKQNJMRIJPHQOJ-UHFFFAOYSA-N -1 3 324.724 2.322 20 30 DEEDHM Cn1c(=O)[nH]cc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001641848393 1078731388 /nfs/dbraw/zinc/73/13/88/1078731388.db2.gz UAPBPULZVZLHDY-UHFFFAOYSA-N -1 3 316.144 2.464 20 30 DEEDHM Cn1ncc2c1nc(SCc1ccc(F)c(C#N)c1)[n-]c2=O ZINC001644087216 1078829681 /nfs/dbraw/zinc/82/96/81/1078829681.db2.gz HTFGHJNCXUBXET-UHFFFAOYSA-N -1 3 315.333 2.372 20 30 DEEDHM C#CC[C@H]1CCCN(C(=O)c2cc(NC(=O)C=C)ccc2[O-])C1 ZINC001520317772 1069119090 /nfs/dbraw/zinc/11/90/90/1069119090.db2.gz AIMDBPFNOBOSSB-ZDUSSCGKSA-N -1 3 312.369 2.392 20 30 DEEDHM C=CCN(C(=O)c1cc(NC(=O)C=C)ccc1[O-])[C@H](C)COC ZINC001520328537 1069120507 /nfs/dbraw/zinc/12/05/07/1069120507.db2.gz BTQSGXMGLYHPJV-GFCCVEGCSA-N -1 3 318.373 2.180 20 30 DEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c(F)c1 ZINC001647267633 1074863002 /nfs/dbraw/zinc/86/30/02/1074863002.db2.gz RSWQZPSBDLWCTD-ILWJIGKKSA-N -1 3 316.304 2.019 20 30 DEEDHM C#C[C@@H](NC(=O)c1ccc(OCCCC)cc1[O-])[C@@H]1CCCO1 ZINC001558968565 1075110062 /nfs/dbraw/zinc/11/00/62/1075110062.db2.gz VALKLZKWGFFIDL-WBVHZDCISA-N -1 3 317.385 2.482 20 30 DEEDHM CCCCN([O-])C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001559035618 1075111320 /nfs/dbraw/zinc/11/13/20/1075111320.db2.gz YQVHRCNQWMZVKU-UHFFFAOYSA-N -1 3 304.306 2.412 20 30 DEEDHM C=CCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001566750253 1075335054 /nfs/dbraw/zinc/33/50/54/1075335054.db2.gz AMKSKPWWMIDLLP-KFWWJZLASA-N -1 3 315.417 2.431 20 30 DEEDHM CCN(CCNC(=O)c1ccccc1[O-])C(=O)C#CC(C)(C)C ZINC001581043020 1076036450 /nfs/dbraw/zinc/03/64/50/1076036450.db2.gz XRPAPYKGURDFJM-UHFFFAOYSA-N -1 3 316.401 2.020 20 30 DEEDHM Cc1ccc(C#N)c(N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)n1 ZINC001581138508 1076044693 /nfs/dbraw/zinc/04/46/93/1076044693.db2.gz ZKGOXIFTSCKVOX-OAHLLOKOSA-N -1 3 317.356 2.021 20 30 DEEDHM Cc1ccc(C#N)c(N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)n1 ZINC001581138508 1076044697 /nfs/dbraw/zinc/04/46/97/1076044697.db2.gz ZKGOXIFTSCKVOX-OAHLLOKOSA-N -1 3 317.356 2.021 20 30 DEEDHM Cc1nsc(NCCc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC001581719254 1076091261 /nfs/dbraw/zinc/09/12/61/1076091261.db2.gz BPDUKSLHRXVRPO-UHFFFAOYSA-N -1 3 311.374 2.158 20 30 DEEDHM Cc1nsc(NCCc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001581719254 1076091265 /nfs/dbraw/zinc/09/12/65/1076091265.db2.gz BPDUKSLHRXVRPO-UHFFFAOYSA-N -1 3 311.374 2.158 20 30 DEEDHM N#CCCNc1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001581857778 1076104601 /nfs/dbraw/zinc/10/46/01/1076104601.db2.gz JABFWOLCEUUYEJ-UHFFFAOYSA-N -1 3 311.118 2.094 20 30 DEEDHM N#CCCNc1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001581857778 1076104604 /nfs/dbraw/zinc/10/46/04/1076104604.db2.gz JABFWOLCEUUYEJ-UHFFFAOYSA-N -1 3 311.118 2.094 20 30 DEEDHM N#Cc1cc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)cs1 ZINC001581864504 1076105520 /nfs/dbraw/zinc/10/55/20/1076105520.db2.gz ZCKHPVLIISKQNV-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM N#Cc1cc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)cs1 ZINC001581864504 1076105522 /nfs/dbraw/zinc/10/55/22/1076105522.db2.gz ZCKHPVLIISKQNV-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM N#Cc1cc(NC(=O)c2csc(-c3nnn[n-]3)c2)ccc1F ZINC001581870701 1076106150 /nfs/dbraw/zinc/10/61/50/1076106150.db2.gz OAJXIXQASWGDDA-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1cnccc1N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001581882984 1076108666 /nfs/dbraw/zinc/10/86/66/1076108666.db2.gz GHYPQXITURDGNW-INIZCTEOSA-N -1 3 317.356 2.045 20 30 DEEDHM N#Cc1cnccc1N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001581882984 1076108670 /nfs/dbraw/zinc/10/86/70/1076108670.db2.gz GHYPQXITURDGNW-INIZCTEOSA-N -1 3 317.356 2.045 20 30 DEEDHM O=C(c1ccc(-c2nnn[n-]2)s1)N(O)Cc1ccc(F)cc1 ZINC001582701451 1076178530 /nfs/dbraw/zinc/17/85/30/1076178530.db2.gz NCDUFKVXRXJZMT-UHFFFAOYSA-N -1 3 319.321 2.099 20 30 DEEDHM C#C[C@H](NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1)C(C)(C)C ZINC001588329418 1076440060 /nfs/dbraw/zinc/44/00/60/1076440060.db2.gz GCGILLVSUXFYNE-LBPRGKRZSA-N -1 3 322.372 2.126 20 30 DEEDHM C#C[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001588325996 1076440150 /nfs/dbraw/zinc/44/01/50/1076440150.db2.gz BKKQJUPTBTYBRG-GFCCVEGCSA-N -1 3 317.352 2.285 20 30 DEEDHM C#C[C@@H](C)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001588325996 1076440151 /nfs/dbraw/zinc/44/01/51/1076440151.db2.gz BKKQJUPTBTYBRG-GFCCVEGCSA-N -1 3 317.352 2.285 20 30 DEEDHM C#C[C@](C)(CC)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588325622 1076440321 /nfs/dbraw/zinc/44/03/21/1076440321.db2.gz QPRAMMNKPAPRCD-CQSZACIVSA-N -1 3 303.753 2.052 20 30 DEEDHM C#C[C@](C)(CC)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588325622 1076440322 /nfs/dbraw/zinc/44/03/22/1076440322.db2.gz QPRAMMNKPAPRCD-CQSZACIVSA-N -1 3 303.753 2.052 20 30 DEEDHM C#C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)C(C)C ZINC001588329460 1076440583 /nfs/dbraw/zinc/44/05/83/1076440583.db2.gz GUFHONTZJADLBG-NSHDSACASA-N -1 3 318.768 2.299 20 30 DEEDHM C#C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)C(C)C ZINC001588329460 1076440584 /nfs/dbraw/zinc/44/05/84/1076440584.db2.gz GUFHONTZJADLBG-NSHDSACASA-N -1 3 318.768 2.299 20 30 DEEDHM C#C[C@H](NC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588329920 1076440809 /nfs/dbraw/zinc/44/08/09/1076440809.db2.gz QSWMCTYMFSDHDC-ZDUSSCGKSA-N -1 3 312.377 2.345 20 30 DEEDHM C#C[C@H](NC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588329920 1076440811 /nfs/dbraw/zinc/44/08/11/1076440811.db2.gz QSWMCTYMFSDHDC-ZDUSSCGKSA-N -1 3 312.377 2.345 20 30 DEEDHM C#CC[C@H]1CCN(c2nc(C)c(-c3nnn[n-]3)cc2Cl)C1 ZINC001588336545 1076441951 /nfs/dbraw/zinc/44/19/51/1076441951.db2.gz CARJDQJOCNOJBA-JTQLQIEISA-N -1 3 302.769 2.073 20 30 DEEDHM C#CC[C@H]1CCN(c2nc(C)c(-c3nn[n-]n3)cc2Cl)C1 ZINC001588336545 1076441953 /nfs/dbraw/zinc/44/19/53/1076441953.db2.gz CARJDQJOCNOJBA-JTQLQIEISA-N -1 3 302.769 2.073 20 30 DEEDHM C#CCC1(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001588334984 1076442315 /nfs/dbraw/zinc/44/23/15/1076442315.db2.gz SDTVNWXFSCQJFF-UHFFFAOYSA-N -1 3 323.400 2.252 20 30 DEEDHM C#CCC1(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001588334984 1076442319 /nfs/dbraw/zinc/44/23/19/1076442319.db2.gz SDTVNWXFSCQJFF-UHFFFAOYSA-N -1 3 323.400 2.252 20 30 DEEDHM C=C(CC(C)C)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001588442785 1076448395 /nfs/dbraw/zinc/44/83/95/1076448395.db2.gz REWWFERSRRPVOJ-UHFFFAOYSA-N -1 3 303.341 2.224 20 30 DEEDHM C=C(CC(C)C)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001588442785 1076448406 /nfs/dbraw/zinc/44/84/06/1076448406.db2.gz REWWFERSRRPVOJ-UHFFFAOYSA-N -1 3 303.341 2.224 20 30 DEEDHM C=CC(C)(C)NC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588489017 1076450067 /nfs/dbraw/zinc/45/00/67/1076450067.db2.gz UQSNLXZPONSBBU-CYBMUJFWSA-N -1 3 312.377 2.118 20 30 DEEDHM C=CC(C)(C)NC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588489017 1076450070 /nfs/dbraw/zinc/45/00/70/1076450070.db2.gz UQSNLXZPONSBBU-CYBMUJFWSA-N -1 3 312.377 2.118 20 30 DEEDHM C=C[C@@H](C)ONC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588518549 1076451870 /nfs/dbraw/zinc/45/18/70/1076451870.db2.gz GCDSDQYCHGVSMD-SSDOTTSWSA-N -1 3 308.729 2.148 20 30 DEEDHM C=C[C@@H](C)ONC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588518549 1076451875 /nfs/dbraw/zinc/45/18/75/1076451875.db2.gz GCDSDQYCHGVSMD-SSDOTTSWSA-N -1 3 308.729 2.148 20 30 DEEDHM C=CCC(C)(C)c1noc(-c2ccc(-c3nnn[n-]3)c(C)n2)n1 ZINC001588539733 1076452964 /nfs/dbraw/zinc/45/29/64/1076452964.db2.gz XKDVFWZHAHUDIP-UHFFFAOYSA-N -1 3 311.349 2.474 20 30 DEEDHM C=CCC(C)(C)c1noc(-c2ccc(-c3nn[n-]n3)c(C)n2)n1 ZINC001588539733 1076452969 /nfs/dbraw/zinc/45/29/69/1076452969.db2.gz XKDVFWZHAHUDIP-UHFFFAOYSA-N -1 3 311.349 2.474 20 30 DEEDHM C=CCC(F)(F)C(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588546063 1076453838 /nfs/dbraw/zinc/45/38/38/1076453838.db2.gz WEDDJIARBFNLCG-UHFFFAOYSA-N -1 3 307.304 2.003 20 30 DEEDHM C=CCC(F)(F)C(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588546063 1076453841 /nfs/dbraw/zinc/45/38/41/1076453841.db2.gz WEDDJIARBFNLCG-UHFFFAOYSA-N -1 3 307.304 2.003 20 30 DEEDHM C=CCC1(O)CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC001588556689 1076453918 /nfs/dbraw/zinc/45/39/18/1076453918.db2.gz DFMKKQQUXQMZRS-UHFFFAOYSA-N -1 3 319.796 2.428 20 30 DEEDHM C=CCC1(O)CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC001588556689 1076453919 /nfs/dbraw/zinc/45/39/19/1076453919.db2.gz DFMKKQQUXQMZRS-UHFFFAOYSA-N -1 3 319.796 2.428 20 30 DEEDHM C=CCCC(=O)Nc1cnn(Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588576563 1076454926 /nfs/dbraw/zinc/45/49/26/1076454926.db2.gz VOQOKQHSHDIOJZ-UHFFFAOYSA-N -1 3 323.360 2.016 20 30 DEEDHM C=CCCC(=O)Nc1cnn(Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588576563 1076454929 /nfs/dbraw/zinc/45/49/29/1076454929.db2.gz VOQOKQHSHDIOJZ-UHFFFAOYSA-N -1 3 323.360 2.016 20 30 DEEDHM C=CCCCNc1c(-c2nnn[n-]2)cnc2c(F)ccc(F)c21 ZINC001588600527 1076457357 /nfs/dbraw/zinc/45/73/57/1076457357.db2.gz FKECMAKVVSSFEE-UHFFFAOYSA-N -1 3 316.315 2.493 20 30 DEEDHM C=CCCCNc1c(-c2nn[n-]n2)cnc2c(F)ccc(F)c21 ZINC001588600527 1076457360 /nfs/dbraw/zinc/45/73/60/1076457360.db2.gz FKECMAKVVSSFEE-UHFFFAOYSA-N -1 3 316.315 2.493 20 30 DEEDHM C=CCCCNC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001588601127 1076457569 /nfs/dbraw/zinc/45/75/69/1076457569.db2.gz VZYGZGYKPQVFDW-UHFFFAOYSA-N -1 3 324.344 2.218 20 30 DEEDHM C=CCCCNC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001588601127 1076457572 /nfs/dbraw/zinc/45/75/72/1076457572.db2.gz VZYGZGYKPQVFDW-UHFFFAOYSA-N -1 3 324.344 2.218 20 30 DEEDHM C=CCN(C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001588625023 1076458121 /nfs/dbraw/zinc/45/81/21/1076458121.db2.gz BGYDSQQGZQWWTB-UHFFFAOYSA-N -1 3 318.356 2.112 20 30 DEEDHM C=CCN(C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1)C(C)C ZINC001588625023 1076458126 /nfs/dbraw/zinc/45/81/26/1076458126.db2.gz BGYDSQQGZQWWTB-UHFFFAOYSA-N -1 3 318.356 2.112 20 30 DEEDHM C=CCN1CC[C@@H](Sc2ccc(-c3nnn[n-]3)c(C)c2)C1=O ZINC001588656870 1076459490 /nfs/dbraw/zinc/45/94/90/1076459490.db2.gz AIXAYCVWNZWZDM-CYBMUJFWSA-N -1 3 315.402 2.054 20 30 DEEDHM C=CCN1CC[C@@H](Sc2ccc(-c3nn[n-]n3)c(C)c2)C1=O ZINC001588656870 1076459494 /nfs/dbraw/zinc/45/94/94/1076459494.db2.gz AIXAYCVWNZWZDM-CYBMUJFWSA-N -1 3 315.402 2.054 20 30 DEEDHM C=CCN(Cc1cnc(C)nc1)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588653612 1076459577 /nfs/dbraw/zinc/45/95/77/1076459577.db2.gz 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Cc1nnc(Sc2ccc(-c3nnn[n-]3)cc2)c(C#N)c1C ZINC001592450306 1076914373 /nfs/dbraw/zinc/91/43/73/1076914373.db2.gz ZWDIKOLZXCRPND-UHFFFAOYSA-N -1 3 309.358 2.296 20 30 DEEDHM Cc1nnc(Sc2ccc(-c3nn[n-]n3)cc2)c(C#N)c1C ZINC001592450306 1076914374 /nfs/dbraw/zinc/91/43/74/1076914374.db2.gz ZWDIKOLZXCRPND-UHFFFAOYSA-N -1 3 309.358 2.296 20 30 DEEDHM Fc1cccc(NN=Cc2nc(-c3nnn[n-]3)cs2)c1F ZINC001592657680 1076946976 /nfs/dbraw/zinc/94/69/76/1076946976.db2.gz AMICAVCXOXIOCD-UHFFFAOYSA-N -1 3 307.289 2.047 20 30 DEEDHM Fc1cccc(NN=Cc2nc(-c3nn[n-]n3)cs2)c1F ZINC001592657680 1076946980 /nfs/dbraw/zinc/94/69/80/1076946980.db2.gz AMICAVCXOXIOCD-UHFFFAOYSA-N -1 3 307.289 2.047 20 30 DEEDHM N#C[C@@H]1CCC[C@H](OC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001592672377 1076948990 /nfs/dbraw/zinc/94/89/90/1076948990.db2.gz GYQDPJHAKYJTJR-OCCSQVGLSA-N -1 3 311.345 2.035 20 30 DEEDHM N#C[C@@H]1CCC[C@H](OC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001592672377 1076948994 /nfs/dbraw/zinc/94/89/94/1076948994.db2.gz 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1076952934 /nfs/dbraw/zinc/95/29/34/1076952934.db2.gz VLQUJIFZFCGDHQ-UHFFFAOYSA-N -1 3 305.297 2.095 20 30 DEEDHM N#Cc1ccc(CNc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])cc1 ZINC001592693235 1076952999 /nfs/dbraw/zinc/95/29/99/1076952999.db2.gz NNLNILCKHSSYAX-UHFFFAOYSA-N -1 3 321.300 2.259 20 30 DEEDHM N#Cc1ccc(CNc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])cc1 ZINC001592693235 1076953003 /nfs/dbraw/zinc/95/30/03/1076953003.db2.gz NNLNILCKHSSYAX-UHFFFAOYSA-N -1 3 321.300 2.259 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1ccccc1O ZINC001592699728 1076955064 /nfs/dbraw/zinc/95/50/64/1076955064.db2.gz JUPNLSTTZYVXON-UHFFFAOYSA-N -1 3 306.329 2.099 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1ccccc1O ZINC001592699728 1076955066 /nfs/dbraw/zinc/95/50/66/1076955066.db2.gz JUPNLSTTZYVXON-UHFFFAOYSA-N -1 3 306.329 2.099 20 30 DEEDHM N#Cc1ncccc1SCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001592709577 1076956296 /nfs/dbraw/zinc/95/62/96/1076956296.db2.gz IXZAAEACIKNVLK-UHFFFAOYSA-N -1 3 324.369 2.304 20 30 DEEDHM N#Cc1csc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)n1 ZINC001592705853 1076956692 /nfs/dbraw/zinc/95/66/92/1076956692.db2.gz JEXGRCDCUWHENN-YHYXMXQVSA-N -1 3 320.337 2.017 20 30 DEEDHM N#Cc1csc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)n1 ZINC001592705853 1076956695 /nfs/dbraw/zinc/95/66/95/1076956695.db2.gz JEXGRCDCUWHENN-YHYXMXQVSA-N -1 3 320.337 2.017 20 30 DEEDHM N#Cc1ccc(Br)c(CNC2CC(C(=O)[O-])C2)c1 ZINC001608198977 1077607697 /nfs/dbraw/zinc/60/76/97/1077607697.db2.gz MXEIQKKTEGQLIF-UHFFFAOYSA-N -1 3 309.163 2.274 20 30 DEEDHM C#Cc1cncc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC001609022142 1077743928 /nfs/dbraw/zinc/74/39/28/1077743928.db2.gz YDVMRBLGUYIEEO-UHFFFAOYSA-N -1 3 324.731 2.149 20 30 DEEDHM C#Cc1cncc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC001609022142 1077743932 /nfs/dbraw/zinc/74/39/32/1077743932.db2.gz YDVMRBLGUYIEEO-UHFFFAOYSA-N -1 3 324.731 2.149 20 30 DEEDHM C=CCCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001609053588 1077749803 /nfs/dbraw/zinc/74/98/03/1077749803.db2.gz 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/nfs/dbraw/zinc/10/63/05/1076106305.db2.gz LSJHSSILDSFRAX-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1cnc(NCc2ccc(-c3nnn[n-]3)c(F)c2)c(F)c1 ZINC001581877881 1076107219 /nfs/dbraw/zinc/10/72/19/1076107219.db2.gz NTXQCSVPHVPSOT-UHFFFAOYSA-N -1 3 313.271 2.024 20 30 DEEDHM N#Cc1cnc(NCc2ccc(-c3nn[n-]n3)c(F)c2)c(F)c1 ZINC001581877881 1076107221 /nfs/dbraw/zinc/10/72/21/1076107221.db2.gz NTXQCSVPHVPSOT-UHFFFAOYSA-N -1 3 313.271 2.024 20 30 DEEDHM C#C[C@H](CCC)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588327753 1076439914 /nfs/dbraw/zinc/43/99/14/1076439914.db2.gz QBWMEBQFONXTEU-SNVBAGLBSA-N -1 3 303.753 2.052 20 30 DEEDHM C#C[C@H](CCC)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588327753 1076439916 /nfs/dbraw/zinc/43/99/16/1076439916.db2.gz QBWMEBQFONXTEU-SNVBAGLBSA-N -1 3 303.753 2.052 20 30 DEEDHM C#CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588335393 1076441759 /nfs/dbraw/zinc/44/17/59/1076441759.db2.gz LMRRLNYGLGTKIE-LBPRGKRZSA-N -1 3 310.361 2.134 20 30 DEEDHM C#CC[C@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588335393 1076441761 /nfs/dbraw/zinc/44/17/61/1076441761.db2.gz LMRRLNYGLGTKIE-LBPRGKRZSA-N -1 3 310.361 2.134 20 30 DEEDHM C#CCCCCCC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588345062 1076441792 /nfs/dbraw/zinc/44/17/92/1076441792.db2.gz OXYRMWJLRPZARG-UHFFFAOYSA-N -1 3 315.352 2.206 20 30 DEEDHM C#CCCCCCC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588345062 1076441796 /nfs/dbraw/zinc/44/17/96/1076441796.db2.gz OXYRMWJLRPZARG-UHFFFAOYSA-N -1 3 315.352 2.206 20 30 DEEDHM C#CC[C@H](OC(=O)c1cc(-c2nnn[n-]2)[nH]c1C)C(C)(C)C ZINC001588334719 1076441868 /nfs/dbraw/zinc/44/18/68/1076441868.db2.gz HYDGWYXIVDOAQW-LBPRGKRZSA-N -1 3 301.350 2.098 20 30 DEEDHM C#CC[C@H](OC(=O)c1cc(-c2nn[n-]n2)[nH]c1C)C(C)(C)C ZINC001588334719 1076441872 /nfs/dbraw/zinc/44/18/72/1076441872.db2.gz HYDGWYXIVDOAQW-LBPRGKRZSA-N -1 3 301.350 2.098 20 30 DEEDHM C#CCCCC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001588341475 1076441940 /nfs/dbraw/zinc/44/19/40/1076441940.db2.gz 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/nfs/dbraw/zinc/44/83/19/1076448319.db2.gz XYCZQOGXQFWELY-UHFFFAOYSA-N -1 3 301.350 2.416 20 30 DEEDHM C=C(CC(C)C)C(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588443325 1076448321 /nfs/dbraw/zinc/44/83/21/1076448321.db2.gz XYCZQOGXQFWELY-UHFFFAOYSA-N -1 3 301.350 2.416 20 30 DEEDHM C=CC[C@H](CC)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588542239 1076453451 /nfs/dbraw/zinc/45/34/51/1076453451.db2.gz YFQZEUKOSCVFNH-ZDUSSCGKSA-N -1 3 300.366 2.021 20 30 DEEDHM C=CC[C@H](CC)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588542239 1076453454 /nfs/dbraw/zinc/45/34/54/1076453454.db2.gz YFQZEUKOSCVFNH-ZDUSSCGKSA-N -1 3 300.366 2.021 20 30 DEEDHM C=CC[C@@H]1CCN(C(=O)c2ccc3c(-c4nnn[n-]4)c[nH]c3c2)C1 ZINC001588564194 1076454999 /nfs/dbraw/zinc/45/49/99/1076454999.db2.gz KHWWMHADQSKJPQ-LLVKDONJSA-N -1 3 322.372 2.386 20 30 DEEDHM C=CC[C@@H]1CCN(C(=O)c2ccc3c(-c4nn[n-]n4)c[nH]c3c2)C1 ZINC001588564194 1076455002 /nfs/dbraw/zinc/45/50/02/1076455002.db2.gz KHWWMHADQSKJPQ-LLVKDONJSA-N -1 3 322.372 2.386 20 30 DEEDHM C=CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC)C1CC1 ZINC001588625768 1076458296 /nfs/dbraw/zinc/45/82/96/1076458296.db2.gz PTGDTZAGHDAJDZ-UHFFFAOYSA-N -1 3 314.349 2.058 20 30 DEEDHM C=CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC)C1CC1 ZINC001588625768 1076458302 /nfs/dbraw/zinc/45/83/02/1076458302.db2.gz PTGDTZAGHDAJDZ-UHFFFAOYSA-N -1 3 314.349 2.058 20 30 DEEDHM C=CCSCCNC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588688294 1076461040 /nfs/dbraw/zinc/46/10/40/1076461040.db2.gz CIQQAGPWVWHAGP-UHFFFAOYSA-N -1 3 323.809 2.169 20 30 DEEDHM C=CCSCCNC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588688294 1076461043 /nfs/dbraw/zinc/46/10/43/1076461043.db2.gz CIQQAGPWVWHAGP-UHFFFAOYSA-N -1 3 323.809 2.169 20 30 DEEDHM C=CCOc1ccccc1CNc1cc(-c2nnn[n-]2)ccn1 ZINC001588688283 1076461054 /nfs/dbraw/zinc/46/10/54/1076461054.db2.gz CCAIBMGLFDBPAQ-UHFFFAOYSA-N -1 3 308.345 2.439 20 30 DEEDHM C=CCOc1ccccc1CNc1cc(-c2nn[n-]n2)ccn1 ZINC001588688283 1076461055 /nfs/dbraw/zinc/46/10/55/1076461055.db2.gz CCAIBMGLFDBPAQ-UHFFFAOYSA-N -1 3 308.345 2.439 20 30 DEEDHM CC(=NNC1CCSCC1)c1ccccc1-c1nnn[n-]1 ZINC001588776182 1076464203 /nfs/dbraw/zinc/46/42/03/1076464203.db2.gz CKHISXBVDUSDEL-UHFFFAOYSA-N -1 3 302.407 2.076 20 30 DEEDHM CC(=NNC1CCSCC1)c1ccccc1-c1nn[n-]n1 ZINC001588776182 1076464206 /nfs/dbraw/zinc/46/42/06/1076464206.db2.gz CKHISXBVDUSDEL-UHFFFAOYSA-N -1 3 302.407 2.076 20 30 DEEDHM CC(C)(C#N)CC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001589033935 1076472477 /nfs/dbraw/zinc/47/24/77/1076472477.db2.gz MQDFFVPZXBZKEW-UHFFFAOYSA-N -1 3 304.741 2.398 20 30 DEEDHM CC(C)(C#N)CC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001589033935 1076472481 /nfs/dbraw/zinc/47/24/81/1076472481.db2.gz MQDFFVPZXBZKEW-UHFFFAOYSA-N -1 3 304.741 2.398 20 30 DEEDHM CC(C)CN(CCO[C@H](C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589618885 1076503012 /nfs/dbraw/zinc/50/30/12/1076503012.db2.gz QXWPPXOYAQQRRX-CYBMUJFWSA-N -1 3 314.393 2.258 20 30 DEEDHM C[C@@H](NCc1ccc(-c2nnn[n-]2)cn1)c1ccc(C#N)cc1F ZINC001589967717 1076538996 /nfs/dbraw/zinc/53/89/96/1076538996.db2.gz NENAFRFSMPFOCI-SNVBAGLBSA-N -1 3 323.335 2.123 20 30 DEEDHM C[C@@H](NCc1ccc(-c2nn[n-]n2)cn1)c1ccc(C#N)cc1F ZINC001589967717 1076539004 /nfs/dbraw/zinc/53/90/04/1076539004.db2.gz NENAFRFSMPFOCI-SNVBAGLBSA-N -1 3 323.335 2.123 20 30 DEEDHM C[C@@H]1CC2(CN1c1c(C#N)cccc1-c1nnn[n-]1)CCOCC2 ZINC001590223263 1076588647 /nfs/dbraw/zinc/58/86/47/1076588647.db2.gz PAUQFIBNZYJWNO-GFCCVEGCSA-N -1 3 324.388 2.134 20 30 DEEDHM C[C@@H]1CC2(CN1c1c(C#N)cccc1-c1nn[n-]n1)CCOCC2 ZINC001590223263 1076588650 /nfs/dbraw/zinc/58/86/50/1076588650.db2.gz PAUQFIBNZYJWNO-GFCCVEGCSA-N -1 3 324.388 2.134 20 30 DEEDHM CC[C@H](CC#N)NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001590420380 1076625682 /nfs/dbraw/zinc/62/56/82/1076625682.db2.gz XJROPADNGOXLOR-SECBINFHSA-N -1 3 317.328 2.128 20 30 DEEDHM CC[C@H](CC#N)NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001590420380 1076625685 /nfs/dbraw/zinc/62/56/85/1076625685.db2.gz XJROPADNGOXLOR-SECBINFHSA-N -1 3 317.328 2.128 20 30 DEEDHM COC(=O)c1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001591292094 1076718423 /nfs/dbraw/zinc/71/84/23/1076718423.db2.gz OXTDINMPGGMRQD-UHFFFAOYSA-N -1 3 322.328 2.099 20 30 DEEDHM CSCCCCN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001591700791 1076776871 /nfs/dbraw/zinc/77/68/71/1076776871.db2.gz VDGBNRBUSICKQY-UHFFFAOYSA-N -1 3 311.802 2.456 20 30 DEEDHM CSCCCCN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001591700791 1076776872 /nfs/dbraw/zinc/77/68/72/1076776872.db2.gz VDGBNRBUSICKQY-UHFFFAOYSA-N -1 3 311.802 2.456 20 30 DEEDHM Cc1c(Cl)cnc(N(C)[C@H]2CCC[C@@H]2C#N)c1-c1nnn[n-]1 ZINC001591819084 1076787656 /nfs/dbraw/zinc/78/76/56/1076787656.db2.gz CKCNANDTZWSYGS-KOLCDFICSA-N -1 3 317.784 2.352 20 30 DEEDHM Cc1c(Cl)cnc(N(C)[C@H]2CCC[C@@H]2C#N)c1-c1nn[n-]n1 ZINC001591819084 1076787660 /nfs/dbraw/zinc/78/76/60/1076787660.db2.gz CKCNANDTZWSYGS-KOLCDFICSA-N -1 3 317.784 2.352 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=NNCCC(F)(F)F ZINC001591840904 1076791825 /nfs/dbraw/zinc/79/18/25/1076791825.db2.gz NOEQGVIACSDKAX-UHFFFAOYSA-N -1 3 312.299 2.359 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=NNCCC(F)(F)F ZINC001591840904 1076791829 /nfs/dbraw/zinc/79/18/29/1076791829.db2.gz NOEQGVIACSDKAX-UHFFFAOYSA-N -1 3 312.299 2.359 20 30 DEEDHM Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC001592132824 1076855833 /nfs/dbraw/zinc/85/58/33/1076855833.db2.gz VVXNHFCOVWFEQB-UHFFFAOYSA-N -1 3 305.297 2.266 20 30 DEEDHM Cc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC001592132824 1076855838 /nfs/dbraw/zinc/85/58/38/1076855838.db2.gz VVXNHFCOVWFEQB-UHFFFAOYSA-N -1 3 305.297 2.266 20 30 DEEDHM Cc1sc(NC(=O)CC2(C#N)CC2)c(-c2nnn[n-]2)c1C ZINC001592518655 1076923500 /nfs/dbraw/zinc/92/35/00/1076923500.db2.gz NGLAELABSFMLAK-UHFFFAOYSA-N -1 3 302.363 2.177 20 30 DEEDHM Cc1sc(NC(=O)CC2(C#N)CC2)c(-c2nn[n-]n2)c1C ZINC001592518655 1076923503 /nfs/dbraw/zinc/92/35/03/1076923503.db2.gz NGLAELABSFMLAK-UHFFFAOYSA-N -1 3 302.363 2.177 20 30 DEEDHM Cn1ncc(Cl)c1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592601258 1076931791 /nfs/dbraw/zinc/93/17/91/1076931791.db2.gz 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/nfs/dbraw/zinc/49/94/10/606499410.db2.gz KHJRLAWPPHAPOC-UHFFFAOYSA-N -1 3 310.342 2.099 20 30 DEEDHM C#CCN(C(=O)CCc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC000819698413 606830817 /nfs/dbraw/zinc/83/08/17/606830817.db2.gz ZCZDYBBIAXOSPS-UHFFFAOYSA-N -1 3 323.400 2.204 20 30 DEEDHM C#CCN(C(=O)CCc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819698413 606830819 /nfs/dbraw/zinc/83/08/19/606830819.db2.gz ZCZDYBBIAXOSPS-UHFFFAOYSA-N -1 3 323.400 2.204 20 30 DEEDHM CN1CCc2cc(C=[NH+][N-]c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000826044807 607782264 /nfs/dbraw/zinc/78/22/64/607782264.db2.gz KXMVHPYOHXCXDS-UHFFFAOYSA-N -1 3 319.372 2.305 20 30 DEEDHM Cc1cccn2c(C=NNc3ccc(-c4nn[n-]n4)cc3)cnc12 ZINC000826308228 607886298 /nfs/dbraw/zinc/88/62/98/607886298.db2.gz PGFKMUAGCHHHED-UHFFFAOYSA-N -1 3 318.344 2.269 20 30 DEEDHM c1cc2c(cc1-c1nnn[n-]1)CCCC2=NO[C@H]1CCCCO1 ZINC000826517516 607890698 /nfs/dbraw/zinc/89/06/98/607890698.db2.gz GGUGSYAIRACYJR-HNNXBMFYSA-N -1 3 313.361 2.450 20 30 DEEDHM c1cc2c(cc1-c1nn[n-]n1)CCCC2=NO[C@H]1CCCCO1 ZINC000826517516 607890699 /nfs/dbraw/zinc/89/06/99/607890699.db2.gz GGUGSYAIRACYJR-HNNXBMFYSA-N -1 3 313.361 2.450 20 30 DEEDHM Clc1csc(C=NNCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826354282 607965158 /nfs/dbraw/zinc/96/51/58/607965158.db2.gz WQTNQHOJLNQJSF-UHFFFAOYSA-N -1 3 319.781 2.100 20 30 DEEDHM Clc1csc(C=NNCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826354282 607965159 /nfs/dbraw/zinc/96/51/59/607965159.db2.gz WQTNQHOJLNQJSF-UHFFFAOYSA-N -1 3 319.781 2.100 20 30 DEEDHM C#CCCOc1c(Br)cc(-c2nnn[n-]2)cc1OC ZINC000823845399 608024669 /nfs/dbraw/zinc/02/46/69/608024669.db2.gz QQMWBCDHAPYIPL-UHFFFAOYSA-N -1 3 323.150 2.040 20 30 DEEDHM C#CCCOc1c(Br)cc(-c2nn[n-]n2)cc1OC ZINC000823845399 608024670 /nfs/dbraw/zinc/02/46/70/608024670.db2.gz QQMWBCDHAPYIPL-UHFFFAOYSA-N -1 3 323.150 2.040 20 30 DEEDHM C[C@]1(C#N)CCCN(Cc2cccc(-c3nnn[n-]3)c2F)C1 ZINC000824779628 608125948 /nfs/dbraw/zinc/12/59/48/608125948.db2.gz WJZDVFRVSWAZIR-OAHLLOKOSA-N -1 3 300.341 2.131 20 30 DEEDHM C[C@]1(C#N)CCCN(Cc2cccc(-c3nn[n-]n3)c2F)C1 ZINC000824779628 608125949 /nfs/dbraw/zinc/12/59/49/608125949.db2.gz WJZDVFRVSWAZIR-OAHLLOKOSA-N -1 3 300.341 2.131 20 30 DEEDHM COc1cc(C#N)ccc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826176819 608261251 /nfs/dbraw/zinc/26/12/51/608261251.db2.gz FUOGYWIVNJJHHI-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM COc1cc(C#N)ccc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826176819 608261253 /nfs/dbraw/zinc/26/12/53/608261253.db2.gz FUOGYWIVNJJHHI-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)C[C@H](C)C#N ZINC000826304235 608367851 /nfs/dbraw/zinc/36/78/51/608367851.db2.gz CZGWEYVTTBZNRQ-SNVBAGLBSA-N -1 3 307.361 2.319 20 30 DEEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)C[C@H](C)C#N ZINC000826304235 608367853 /nfs/dbraw/zinc/36/78/53/608367853.db2.gz CZGWEYVTTBZNRQ-SNVBAGLBSA-N -1 3 307.361 2.319 20 30 DEEDHM N#CC1(CN2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)CC1 ZINC000826380378 608384339 /nfs/dbraw/zinc/38/43/39/608384339.db2.gz 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/nfs/dbraw/zinc/47/10/31/609471031.db2.gz OLTJQISTWGQRCD-UHFFFAOYSA-N -1 3 316.756 2.183 20 30 DEEDHM N#CCOc1cccc(NCc2ccc(-c3nnn[n-]3)s2)c1 ZINC000826382052 609475796 /nfs/dbraw/zinc/47/57/96/609475796.db2.gz MMCCWQBRHBNUNQ-UHFFFAOYSA-N -1 3 312.358 2.443 20 30 DEEDHM C(=NNc1ccc2n[nH]cc2c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823861724 609520543 /nfs/dbraw/zinc/52/05/43/609520543.db2.gz QAWQVSXXSMDHKO-UHFFFAOYSA-N -1 3 310.346 2.251 20 30 DEEDHM C(=NNc1ccc2n[nH]cc2c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823861724 609520544 /nfs/dbraw/zinc/52/05/44/609520544.db2.gz QAWQVSXXSMDHKO-UHFFFAOYSA-N -1 3 310.346 2.251 20 30 DEEDHM N#CC1(c2ccc(C(=O)N3CCCc4c(=O)[n-]cnc43)cc2)CC1 ZINC000893209274 625231906 /nfs/dbraw/zinc/23/19/06/625231906.db2.gz BWIBBBLXSHOKNH-UHFFFAOYSA-N -1 3 320.352 2.330 20 30 DEEDHM Cc1cccc(C)c1OCCCn1ccc(C=N[O-])nc1=O ZINC000736302830 633593116 /nfs/dbraw/zinc/59/31/16/633593116.db2.gz SNYIOMLAGZKUAT-UHFFFAOYSA-N -1 3 301.346 2.137 20 30 DEEDHM C=CCO[N-]C(=O)CCCC(=O)c1ccc2c(c1)OCCO2 ZINC000837048082 650160006 /nfs/dbraw/zinc/16/00/06/650160006.db2.gz KCAJPZTXVPSCED-UHFFFAOYSA-N -1 3 305.330 2.045 20 30 DEEDHM C=CCO[N-]C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1 ZINC000837044999 650160055 /nfs/dbraw/zinc/16/00/55/650160055.db2.gz UNCVNBWAGYJCTP-LBPRGKRZSA-N -1 3 321.352 2.303 20 30 DEEDHM C=CCC[C@H](CO)[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000837081519 650163119 /nfs/dbraw/zinc/16/31/19/650163119.db2.gz JIILVPPDBHCBFE-SECBINFHSA-N -1 3 305.271 2.500 20 30 DEEDHM N#Cc1ccsc1C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC000837485950 650204805 /nfs/dbraw/zinc/20/48/05/650204805.db2.gz SEMCLCAWWUJMKU-UHFFFAOYSA-N -1 3 301.327 2.350 20 30 DEEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1c([O-])cccc1F ZINC000922324132 636087810 /nfs/dbraw/zinc/08/78/10/636087810.db2.gz LJFUGAQHRWRERM-IAQYHMDHSA-N -1 3 308.353 2.312 20 30 DEEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cncc(F)c1 ZINC000737429949 637316497 /nfs/dbraw/zinc/31/64/97/637316497.db2.gz HQUSAABDMBWKHA-UHFFFAOYSA-N -1 3 307.350 2.064 20 30 DEEDHM C#CCC[C@@H](C)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000839036439 637745493 /nfs/dbraw/zinc/74/54/93/637745493.db2.gz CGGHUBZGWLEIOG-SNVBAGLBSA-N -1 3 313.350 2.156 20 30 DEEDHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000839051852 637763115 /nfs/dbraw/zinc/76/31/15/637763115.db2.gz FTIXAWBSSUUKLH-FZMZJTMJSA-N -1 3 322.386 2.297 20 30 DEEDHM CCCCCCCC[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC000867010668 637862870 /nfs/dbraw/zinc/86/28/70/637862870.db2.gz VEVWYMQIKLIMKC-UHFFFAOYSA-N -1 3 310.485 2.443 20 30 DEEDHM C#Cc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])nc1 ZINC000740927264 637916556 /nfs/dbraw/zinc/91/65/56/637916556.db2.gz VUFLWNMUDDGWBK-UHFFFAOYSA-N -1 3 310.309 2.198 20 30 DEEDHM C#Cc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2[O-])cn1 ZINC000740927523 637916858 /nfs/dbraw/zinc/91/68/58/637916858.db2.gz GXLSFSFAOWIZQS-UHFFFAOYSA-N -1 3 310.309 2.198 20 30 DEEDHM CC1(C)C(=N[N-]S(=O)(=O)Cc2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000743435925 638146458 /nfs/dbraw/zinc/14/64/58/638146458.db2.gz OBUDUEHSYPAYNV-ZFWWWQNUSA-N -1 3 322.430 2.297 20 30 DEEDHM CC(=NNC1CCCC1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000727651500 638173175 /nfs/dbraw/zinc/17/31/75/638173175.db2.gz BPEMHPMSNUSVAE-UHFFFAOYSA-N -1 3 317.433 2.481 20 30 DEEDHM Cc1ncc(CO)c(/C=N\C[C@H]2COc3ccccc3C2)c1[O-] ZINC000747713437 638468671 /nfs/dbraw/zinc/46/86/71/638468671.db2.gz YEVYNXWUUMPUBZ-ATDWHHCWSA-N -1 3 312.369 2.258 20 30 DEEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cccnc1Cl ZINC000805138806 639829091 /nfs/dbraw/zinc/82/90/91/639829091.db2.gz GKMLALZUPHODIG-UHFFFAOYSA-N -1 3 301.799 2.343 20 30 DEEDHM CSCCNC(=S)NN=C(C)c1cc(F)ccc1[O-] ZINC000769598672 641264473 /nfs/dbraw/zinc/26/44/73/641264473.db2.gz HUDFCWFRSDECFI-UHFFFAOYSA-N -1 3 301.412 2.082 20 30 DEEDHM Cc1ncc(CO)c(/C=N\CCOc2ccc(F)c(F)c2)c1[O-] ZINC000730148187 641489013 /nfs/dbraw/zinc/48/90/13/641489013.db2.gz ZKGQUGWYIOUXAL-UWVJOHFNSA-N -1 3 322.311 2.364 20 30 DEEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cnccc1C ZINC000771561825 641525333 /nfs/dbraw/zinc/52/53/33/641525333.db2.gz YIDXXEGFKSMKFL-UHFFFAOYSA-N -1 3 317.414 2.276 20 30 DEEDHM C=C[C@@H](CC)OC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000776108906 642131676 /nfs/dbraw/zinc/13/16/76/642131676.db2.gz SRHRTSUPYCBGAA-JTQLQIEISA-N -1 3 301.339 2.319 20 30 DEEDHM Cc1cccc(NC(=O)COC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000776278504 642152721 /nfs/dbraw/zinc/15/27/21/642152721.db2.gz AQVUQRLWLMAKFE-UHFFFAOYSA-N -1 3 310.309 2.368 20 30 DEEDHM O=C(c1ccc2[nH]c(=O)[nH]c2c1)N([O-])Cc1ccc(F)cc1 ZINC000900095634 642259263 /nfs/dbraw/zinc/25/92/63/642259263.db2.gz HLTDKUKHGNLGCD-UHFFFAOYSA-N -1 3 301.277 2.439 20 30 DEEDHM C=CC(C)(C)CC(=O)NCc1c(C)nc2cc(=O)[n-]n2c1C ZINC000900708695 642448726 /nfs/dbraw/zinc/44/87/26/642448726.db2.gz DXNWKJNRCCTQMG-UHFFFAOYSA-N -1 3 302.378 2.270 20 30 DEEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1ccccc1 ZINC000779466450 642503161 /nfs/dbraw/zinc/50/31/61/642503161.db2.gz SHOSAEADDNLCQO-NSHDSACASA-N -1 3 310.309 2.448 20 30 DEEDHM 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C=CC[C@@H]1CCN(CC(=O)N(C)c2ccccc2C(=O)[O-])C1 ZINC001588772298 984142578 /nfs/dbraw/zinc/14/25/78/984142578.db2.gz CMGUVPATAYHFSI-CYBMUJFWSA-N -1 3 302.374 2.246 20 30 DEEDHM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1ccc(Cl)cc1C#N ZINC001594524565 986022281 /nfs/dbraw/zinc/02/22/81/986022281.db2.gz AOSIUMKQGNHBEK-GFCCVEGCSA-N -1 3 321.808 2.192 20 30 DEEDHM C=CCCCC(=O)N(C)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001350643093 1151379279 /nfs/dbraw/zinc/37/92/79/1151379279.db2.gz YBJZWFIWACAOBS-AWEZNQCLSA-N -1 3 316.401 2.421 20 30 DEEDHM C#CCOc1ccc(CNc2cc(-c3nnn[n-]3)cc(C)n2)cc1 ZINC001602731926 1069736428 /nfs/dbraw/zinc/73/64/28/1069736428.db2.gz IJIRDTOMNFXXFY-UHFFFAOYSA-N -1 3 320.356 2.194 20 30 DEEDHM C#CCOc1ccc(CNc2cc(-c3nn[n-]n3)cc(C)n2)cc1 ZINC001602731926 1069736440 /nfs/dbraw/zinc/73/64/40/1069736440.db2.gz IJIRDTOMNFXXFY-UHFFFAOYSA-N -1 3 320.356 2.194 20 30 DEEDHM C=C(C)CS(=O)(=O)Oc1cc(C)c(-c2nnn[n-]2)c(C)c1C ZINC001602763383 1069750045 /nfs/dbraw/zinc/75/00/45/1069750045.db2.gz KTTGARYHTYXGSN-UHFFFAOYSA-N -1 3 322.390 2.077 20 30 DEEDHM C=C(C)CS(=O)(=O)Oc1cc(C)c(-c2nn[n-]n2)c(C)c1C ZINC001602763383 1069750050 /nfs/dbraw/zinc/75/00/50/1069750050.db2.gz KTTGARYHTYXGSN-UHFFFAOYSA-N -1 3 322.390 2.077 20 30 DEEDHM C=CCCCN(C)c1cccc(-n2cccn2)c1-c1nnn[n-]1 ZINC001602838367 1069773313 /nfs/dbraw/zinc/77/33/13/1069773313.db2.gz VIIHUFOZXWPZAK-UHFFFAOYSA-N -1 3 309.377 2.455 20 30 DEEDHM C=CCCCN(C)c1cccc(-n2cccn2)c1-c1nn[n-]n1 ZINC001602838367 1069773320 /nfs/dbraw/zinc/77/33/20/1069773320.db2.gz VIIHUFOZXWPZAK-UHFFFAOYSA-N -1 3 309.377 2.455 20 30 DEEDHM C=CCCCNc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001602839613 1069773337 /nfs/dbraw/zinc/77/33/37/1069773337.db2.gz CZMFYTFYQKXCQK-UHFFFAOYSA-N -1 3 309.171 2.402 20 30 DEEDHM C=CCCCNc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001602839613 1069773344 /nfs/dbraw/zinc/77/33/44/1069773344.db2.gz CZMFYTFYQKXCQK-UHFFFAOYSA-N -1 3 309.171 2.402 20 30 DEEDHM CC(=NNC[C@@H]1CCSC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602906147 1069792274 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COc1ccc(-c2nn[n-]n2)cc1CNc1cc(F)cc(C#N)c1 ZINC001605243629 1070656576 /nfs/dbraw/zinc/65/65/76/1070656576.db2.gz OJROWRMAYUVVHB-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCCC(C)(C)[C@H]1C#N ZINC001605535162 1070754065 /nfs/dbraw/zinc/75/40/65/1070754065.db2.gz IBGAGWMSFBNSJT-CQSZACIVSA-N -1 3 324.388 2.330 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCCC(C)(C)[C@H]1C#N ZINC001605535162 1070754080 /nfs/dbraw/zinc/75/40/80/1070754080.db2.gz IBGAGWMSFBNSJT-CQSZACIVSA-N -1 3 324.388 2.330 20 30 DEEDHM Cc1cc(C(=O)N(CC#N)C2CCCC2)cc(C)c1-c1nnn[n-]1 ZINC001605590554 1070772671 /nfs/dbraw/zinc/77/26/71/1070772671.db2.gz ADFQBKTVRYFICF-UHFFFAOYSA-N -1 3 324.388 2.392 20 30 DEEDHM Cc1cc(C(=O)N(CC#N)C2CCCC2)cc(C)c1-c1nn[n-]n1 ZINC001605590554 1070772685 /nfs/dbraw/zinc/77/26/85/1070772685.db2.gz ADFQBKTVRYFICF-UHFFFAOYSA-N -1 3 324.388 2.392 20 30 DEEDHM Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001605589311 1070772867 /nfs/dbraw/zinc/77/28/67/1070772867.db2.gz 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C=C[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001588527477 1076451277 /nfs/dbraw/zinc/45/12/77/1076451277.db2.gz LGQCLHWWBPZALE-JTQLQIEISA-N -1 3 300.322 2.320 20 30 DEEDHM C=C[C@@H](CC)CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001588525851 1076451667 /nfs/dbraw/zinc/45/16/67/1076451667.db2.gz LRMOSNWBZBSGHW-JTQLQIEISA-N -1 3 302.334 2.383 20 30 DEEDHM C=C[C@@H](CC)CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001588525851 1076451670 /nfs/dbraw/zinc/45/16/70/1076451670.db2.gz LRMOSNWBZBSGHW-JTQLQIEISA-N -1 3 302.334 2.383 20 30 DEEDHM C=C[C@@H]1CCCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001588527478 1076451797 /nfs/dbraw/zinc/45/17/97/1076451797.db2.gz LGQCLHWWBPZALE-SNVBAGLBSA-N -1 3 300.322 2.320 20 30 DEEDHM C=CCC(F)(F)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001588545261 1076453591 /nfs/dbraw/zinc/45/35/91/1076453591.db2.gz CQHUHBLDCPEXBW-UHFFFAOYSA-N -1 3 312.251 2.260 20 30 DEEDHM C=CCC(F)(F)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001588545261 1076453597 /nfs/dbraw/zinc/45/35/97/1076453597.db2.gz 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1076454793 /nfs/dbraw/zinc/45/47/93/1076454793.db2.gz AVNFUBICIXUWAI-AWEZNQCLSA-N -1 3 311.389 2.224 20 30 DEEDHM C=CCCCNC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001588600454 1076456910 /nfs/dbraw/zinc/45/69/10/1076456910.db2.gz BQBYNTCEQQGSAR-UHFFFAOYSA-N -1 3 317.418 2.182 20 30 DEEDHM C=CCCCNC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001588600454 1076456914 /nfs/dbraw/zinc/45/69/14/1076456914.db2.gz BQBYNTCEQQGSAR-UHFFFAOYSA-N -1 3 317.418 2.182 20 30 DEEDHM C=CCCN(C)C(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588603833 1076457212 /nfs/dbraw/zinc/45/72/12/1076457212.db2.gz XWOJROWQLOUEFM-UHFFFAOYSA-N -1 3 317.368 2.318 20 30 DEEDHM C=CCCN(C)C(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588603833 1076457215 /nfs/dbraw/zinc/45/72/15/1076457215.db2.gz XWOJROWQLOUEFM-UHFFFAOYSA-N -1 3 317.368 2.318 20 30 DEEDHM C=CCCOC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001588609205 1076457305 /nfs/dbraw/zinc/45/73/05/1076457305.db2.gz LJLOJLGLLZWTKZ-UHFFFAOYSA-N -1 3 302.309 2.157 20 30 DEEDHM C=CCCOC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001588609205 1076457306 /nfs/dbraw/zinc/45/73/06/1076457306.db2.gz LJLOJLGLLZWTKZ-UHFFFAOYSA-N -1 3 302.309 2.157 20 30 DEEDHM C=CCN(CC=C)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588631975 1076458476 /nfs/dbraw/zinc/45/84/76/1076458476.db2.gz PCZPNIVSFZBSQK-UHFFFAOYSA-N -1 3 309.373 2.099 20 30 DEEDHM C=CCN(CC=C)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588631975 1076458479 /nfs/dbraw/zinc/45/84/79/1076458479.db2.gz PCZPNIVSFZBSQK-UHFFFAOYSA-N -1 3 309.373 2.099 20 30 DEEDHM C=CCN(CCC#N)C(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588632362 1076458630 /nfs/dbraw/zinc/45/86/30/1076458630.db2.gz VXCKZNBUDZEBCW-UHFFFAOYSA-N -1 3 316.752 2.062 20 30 DEEDHM C=CCN(CCC#N)C(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588632362 1076458634 /nfs/dbraw/zinc/45/86/34/1076458634.db2.gz VXCKZNBUDZEBCW-UHFFFAOYSA-N -1 3 316.752 2.062 20 30 DEEDHM C=CCOc1cccc(NC(=O)c2cnccc2-c2nnn[n-]2)c1 ZINC001588689180 1076460663 /nfs/dbraw/zinc/46/06/63/1076460663.db2.gz AFUPBDKYEOKQLU-UHFFFAOYSA-N -1 3 322.328 2.079 20 30 DEEDHM C=CCOc1cccc(NC(=O)c2cnccc2-c2nn[n-]n2)c1 ZINC001588689180 1076460667 /nfs/dbraw/zinc/46/06/67/1076460667.db2.gz AFUPBDKYEOKQLU-UHFFFAOYSA-N -1 3 322.328 2.079 20 30 DEEDHM C=CCOCCSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588689990 1076460691 /nfs/dbraw/zinc/46/06/91/1076460691.db2.gz WKNMECDWJRWUDL-UHFFFAOYSA-N -1 3 306.391 2.311 20 30 DEEDHM C=CCOCCSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588689990 1076460695 /nfs/dbraw/zinc/46/06/95/1076460695.db2.gz WKNMECDWJRWUDL-UHFFFAOYSA-N -1 3 306.391 2.311 20 30 DEEDHM C=CCOC(=O)CSc1nc(C)c(C)c(C)c1-c1nnn[n-]1 ZINC001588665284 1076461100 /nfs/dbraw/zinc/46/11/00/1076461100.db2.gz IUBFHVLNAUBMQB-UHFFFAOYSA-N -1 3 319.390 2.008 20 30 DEEDHM C=CCOC(=O)CSc1nc(C)c(C)c(C)c1-c1nn[n-]n1 ZINC001588665284 1076461102 /nfs/dbraw/zinc/46/11/02/1076461102.db2.gz IUBFHVLNAUBMQB-UHFFFAOYSA-N -1 3 319.390 2.008 20 30 DEEDHM CC#CCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588746172 1076461492 /nfs/dbraw/zinc/46/14/92/1076461492.db2.gz MONYTFQZYHRDAY-UHFFFAOYSA-N -1 3 304.741 2.007 20 30 DEEDHM CC#CCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588746172 1076461497 /nfs/dbraw/zinc/46/14/97/1076461497.db2.gz MONYTFQZYHRDAY-UHFFFAOYSA-N -1 3 304.741 2.007 20 30 DEEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC001588776513 1076463869 /nfs/dbraw/zinc/46/38/69/1076463869.db2.gz PWLAHLSMWCJBAJ-AWEZNQCLSA-N -1 3 314.393 2.138 20 30 DEEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC001588776513 1076463872 /nfs/dbraw/zinc/46/38/72/1076463872.db2.gz PWLAHLSMWCJBAJ-AWEZNQCLSA-N -1 3 314.393 2.138 20 30 DEEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)C1SC=CC1=O ZINC001588780538 1076464999 /nfs/dbraw/zinc/46/49/99/1076464999.db2.gz DOUATUKMNAMZQP-UHFFFAOYSA-N -1 3 300.347 2.470 20 30 DEEDHM C[C@@H](C#N)OCCSCc1cccc(-c2nnn[n-]2)c1F ZINC001588933838 1076470132 /nfs/dbraw/zinc/47/01/32/1076470132.db2.gz ALNPRDLPHOUYTQ-VIFPVBQESA-N -1 3 307.354 2.168 20 30 DEEDHM C[C@@H](C#N)OCCSCc1cccc(-c2nn[n-]n2)c1F ZINC001588933838 1076470136 /nfs/dbraw/zinc/47/01/36/1076470136.db2.gz ALNPRDLPHOUYTQ-VIFPVBQESA-N -1 3 307.354 2.168 20 30 DEEDHM CC(C)(C)C#CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001589065581 1076473371 /nfs/dbraw/zinc/47/33/71/1076473371.db2.gz JOJQXJWSGSDHBH-UHFFFAOYSA-N -1 3 323.400 2.407 20 30 DEEDHM CC(C)(C)C#CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001589065581 1076473374 /nfs/dbraw/zinc/47/33/74/1076473374.db2.gz JOJQXJWSGSDHBH-UHFFFAOYSA-N -1 3 323.400 2.407 20 30 DEEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)CC1(C#N)CC1 ZINC001589250849 1076482625 /nfs/dbraw/zinc/48/26/25/1076482625.db2.gz CYUZKCJQUUOBRN-UHFFFAOYSA-N -1 3 313.365 2.056 20 30 DEEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)CC1(C#N)CC1 ZINC001589250849 1076482627 /nfs/dbraw/zinc/48/26/27/1076482627.db2.gz CYUZKCJQUUOBRN-UHFFFAOYSA-N -1 3 313.365 2.056 20 30 DEEDHM CC(C)c1nccn1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589776425 1076514009 /nfs/dbraw/zinc/51/40/09/1076514009.db2.gz GVBOZCDJXJDIIC-UHFFFAOYSA-N -1 3 322.376 2.170 20 30 DEEDHM CCC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCOC1 ZINC001590358817 1076615095 /nfs/dbraw/zinc/61/50/95/1076615095.db2.gz GORBEVLDUUFYDO-LBPRGKRZSA-N -1 3 300.366 2.471 20 30 DEEDHM CCC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC001590358817 1076615098 /nfs/dbraw/zinc/61/50/98/1076615098.db2.gz GORBEVLDUUFYDO-LBPRGKRZSA-N -1 3 300.366 2.471 20 30 DEEDHM CCC(=NNC[C@H]1CCSC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590359179 1076615813 /nfs/dbraw/zinc/61/58/13/1076615813.db2.gz RSBBZLZPEIWZEX-LLVKDONJSA-N -1 3 316.434 2.324 20 30 DEEDHM CCC(=NNC[C@H]1CCSC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590359179 1076615814 /nfs/dbraw/zinc/61/58/14/1076615814.db2.gz RSBBZLZPEIWZEX-LLVKDONJSA-N -1 3 316.434 2.324 20 30 DEEDHM CC[C@](C)(C#N)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001590371651 1076616951 /nfs/dbraw/zinc/61/69/51/1076616951.db2.gz GTYJTRULUMBPRK-RHSMWYFYSA-N -1 3 324.388 2.300 20 30 DEEDHM CC[C@](C)(C#N)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001590371651 1076616956 /nfs/dbraw/zinc/61/69/56/1076616956.db2.gz GTYJTRULUMBPRK-RHSMWYFYSA-N -1 3 324.388 2.300 20 30 DEEDHM COc1cc(CNc2ccc(C#N)cc2F)ccc1-c1nnn[n-]1 ZINC001591535796 1076754736 /nfs/dbraw/zinc/75/47/36/1076754736.db2.gz LOEHEMGXYDNLNM-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1cc(CNc2ccc(C#N)cc2F)ccc1-c1nn[n-]n1 ZINC001591535796 1076754738 /nfs/dbraw/zinc/75/47/38/1076754738.db2.gz LOEHEMGXYDNLNM-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM C[C@@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C[C@H](C)O1 ZINC001591778145 1076782628 /nfs/dbraw/zinc/78/26/28/1076782628.db2.gz DKCHWJGYWXEYJE-OCAPTIKFSA-N -1 3 321.772 2.270 20 30 DEEDHM C[C@@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C[C@H](C)O1 ZINC001591778145 1076782631 /nfs/dbraw/zinc/78/26/31/1076782631.db2.gz DKCHWJGYWXEYJE-OCAPTIKFSA-N -1 3 321.772 2.270 20 30 DEEDHM Cc1c(C(=O)N(CC#N)C2CCCC2)cccc1-c1nnn[n-]1 ZINC001591801801 1076785892 /nfs/dbraw/zinc/78/58/92/1076785892.db2.gz MRTLSACYGNZIJL-UHFFFAOYSA-N -1 3 310.361 2.084 20 30 DEEDHM Cc1c(C(=O)N(CC#N)C2CCCC2)cccc1-c1nn[n-]n1 ZINC001591801801 1076785894 /nfs/dbraw/zinc/78/58/94/1076785894.db2.gz MRTLSACYGNZIJL-UHFFFAOYSA-N -1 3 310.361 2.084 20 30 DEEDHM Cc1cc(N[C@@H]2CC[C@H](C#N)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592054311 1076840007 /nfs/dbraw/zinc/84/00/07/1076840007.db2.gz HYQYIWBQTSFSOA-VHSXEESVSA-N -1 3 313.321 2.188 20 30 DEEDHM Cc1cc(N[C@@H]2CC[C@H](C#N)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592054311 1076840012 /nfs/dbraw/zinc/84/00/12/1076840012.db2.gz HYQYIWBQTSFSOA-VHSXEESVSA-N -1 3 313.321 2.188 20 30 DEEDHM Cc1ccnc(N(C)Cc2cc(-c3nnn[n-]3)cs2)c1C#N ZINC001592274328 1076888843 /nfs/dbraw/zinc/88/88/43/1076888843.db2.gz RTGKWWLDFXDXGA-UHFFFAOYSA-N -1 3 311.374 2.140 20 30 DEEDHM Cc1ccnc(N(C)Cc2cc(-c3nn[n-]n3)cs2)c1C#N ZINC001592274328 1076888848 /nfs/dbraw/zinc/88/88/48/1076888848.db2.gz RTGKWWLDFXDXGA-UHFFFAOYSA-N -1 3 311.374 2.140 20 30 DEEDHM Cc1cnccc1CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592300959 1076893580 /nfs/dbraw/zinc/89/35/80/1076893580.db2.gz RCIMPPQTQGUCRU-UHFFFAOYSA-N -1 3 305.345 2.096 20 30 DEEDHM Cc1cnccc1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592300959 1076893584 /nfs/dbraw/zinc/89/35/84/1076893584.db2.gz RCIMPPQTQGUCRU-UHFFFAOYSA-N -1 3 305.345 2.096 20 30 DEEDHM Cc1coc(C)c1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001592307819 1076894136 /nfs/dbraw/zinc/89/41/36/1076894136.db2.gz XASLAUDYJVNGSC-UHFFFAOYSA-N -1 3 308.301 2.201 20 30 DEEDHM Cc1coc(C)c1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001592307819 1076894138 /nfs/dbraw/zinc/89/41/38/1076894138.db2.gz XASLAUDYJVNGSC-UHFFFAOYSA-N -1 3 308.301 2.201 20 30 DEEDHM Cc1nnc(SCC2(CC#N)CC2)c(-c2nnn[n-]2)c1C ZINC001592449342 1076914872 /nfs/dbraw/zinc/91/48/72/1076914872.db2.gz HTDSMMUWMUMIHQ-UHFFFAOYSA-N -1 3 301.379 2.060 20 30 DEEDHM Cc1nnc(SCC2(CC#N)CC2)c(-c2nn[n-]n2)c1C ZINC001592449342 1076914879 /nfs/dbraw/zinc/91/48/79/1076914879.db2.gz HTDSMMUWMUMIHQ-UHFFFAOYSA-N -1 3 301.379 2.060 20 30 DEEDHM ClC1(Cl)C[C@@H]1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001592524089 1076923521 /nfs/dbraw/zinc/92/35/21/1076923521.db2.gz OBVIZMUHOMYNES-SNVBAGLBSA-N -1 3 311.176 2.136 20 30 DEEDHM ClC1(Cl)C[C@@H]1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001592524089 1076923524 /nfs/dbraw/zinc/92/35/24/1076923524.db2.gz OBVIZMUHOMYNES-SNVBAGLBSA-N -1 3 311.176 2.136 20 30 DEEDHM Cl/C=C/CON=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001592523755 1076923860 /nfs/dbraw/zinc/92/38/60/1076923860.db2.gz XTPVRFAASCKQDE-WZTREGCVSA-N -1 3 304.741 2.071 20 30 DEEDHM Cl/C=C/CON=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001592523755 1076923864 /nfs/dbraw/zinc/92/38/64/1076923864.db2.gz XTPVRFAASCKQDE-WZTREGCVSA-N -1 3 304.741 2.071 20 30 DEEDHM Cn1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC001592580104 1076930456 /nfs/dbraw/zinc/93/04/56/1076930456.db2.gz NIDLCXNAUDTERU-HWKANZROSA-N -1 3 314.736 2.150 20 30 DEEDHM Cn1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001592580104 1076930458 /nfs/dbraw/zinc/93/04/58/1076930458.db2.gz NIDLCXNAUDTERU-HWKANZROSA-N -1 3 314.736 2.150 20 30 DEEDHM N#CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC001592675996 1076950286 /nfs/dbraw/zinc/95/02/86/1076950286.db2.gz YZTARNOEGASWKU-GFCCVEGCSA-N -1 3 317.736 2.369 20 30 DEEDHM N#CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC001592675996 1076950290 /nfs/dbraw/zinc/95/02/90/1076950290.db2.gz YZTARNOEGASWKU-GFCCVEGCSA-N -1 3 317.736 2.369 20 30 DEEDHM N#CCCCCC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592675505 1076951023 /nfs/dbraw/zinc/95/10/23/1076951023.db2.gz VWLGEDKICALRNN-OAHLLOKOSA-N -1 3 324.388 2.444 20 30 DEEDHM N#CCCCCC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592675505 1076951024 /nfs/dbraw/zinc/95/10/24/1076951024.db2.gz VWLGEDKICALRNN-OAHLLOKOSA-N -1 3 324.388 2.444 20 30 DEEDHM N#Cc1ccc(SCCOc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC001592697755 1076954841 /nfs/dbraw/zinc/95/48/41/1076954841.db2.gz QKDGNSGKOZDEMY-UHFFFAOYSA-N -1 3 324.369 2.304 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1cnn(CC2CC2)c1 ZINC001592700582 1076955461 /nfs/dbraw/zinc/95/54/61/1076955461.db2.gz KRBVHSAKQJQNOO-UHFFFAOYSA-N -1 3 306.333 2.088 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1cnn(CC2CC2)c1 ZINC001592700582 1076955466 /nfs/dbraw/zinc/95/54/66/1076955466.db2.gz KRBVHSAKQJQNOO-UHFFFAOYSA-N -1 3 306.333 2.088 20 30 DEEDHM N#Cc1cccc(C=C2C(=O)Nc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001592701957 1076955947 /nfs/dbraw/zinc/95/59/47/1076955947.db2.gz MICGUBPEZGXJHB-VGOFMYFVSA-N -1 3 314.308 2.231 20 30 DEEDHM N#Cc1cccc(C=C2C(=O)Nc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001592701957 1076955952 /nfs/dbraw/zinc/95/59/52/1076955952.db2.gz MICGUBPEZGXJHB-VGOFMYFVSA-N -1 3 314.308 2.231 20 30 DEEDHM O=C1C(=Cc2ccc(O)cc2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593379804 1077002638 /nfs/dbraw/zinc/00/26/38/1077002638.db2.gz KAMFUTCKGMEJFQ-KPKJPENVSA-N -1 3 319.324 2.180 20 30 DEEDHM O=C1C(=Cc2ccc(O)cc2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001593379804 1077002645 /nfs/dbraw/zinc/00/26/45/1077002645.db2.gz KAMFUTCKGMEJFQ-KPKJPENVSA-N -1 3 319.324 2.180 20 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CC(=NN[C@H]1CCCSC1)c1ccc(-c2nn[n-]n2)cc1F ZINC001602906276 1069792490 /nfs/dbraw/zinc/79/24/90/1069792490.db2.gz JHAIMGOOULAMNS-NSHDSACASA-N -1 3 320.397 2.215 20 30 DEEDHM CC(C)(CC#N)CNc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC001603135764 1069884907 /nfs/dbraw/zinc/88/49/07/1069884907.db2.gz RWHLRHVOAQPBOY-UHFFFAOYSA-N -1 3 322.376 2.404 20 30 DEEDHM CC(C)(CC#N)CNc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC001603135764 1069884936 /nfs/dbraw/zinc/88/49/36/1069884936.db2.gz RWHLRHVOAQPBOY-UHFFFAOYSA-N -1 3 322.376 2.404 20 30 DEEDHM CC(C)C#CC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001603190404 1069904443 /nfs/dbraw/zinc/90/44/43/1069904443.db2.gz ZDOSVVPMIHHCJM-OAHLLOKOSA-N -1 3 309.373 2.020 20 30 DEEDHM CC(C)C#CC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001603190404 1069904455 /nfs/dbraw/zinc/90/44/55/1069904455.db2.gz ZDOSVVPMIHHCJM-OAHLLOKOSA-N -1 3 309.373 2.020 20 30 DEEDHM CC(C)CN(CCC#N)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001603288938 1069934032 /nfs/dbraw/zinc/93/40/32/1069934032.db2.gz 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ZINC001605652161 1070798398 /nfs/dbraw/zinc/79/83/98/1070798398.db2.gz DXSZJPCOHWMRRG-DABQJJPHSA-N -1 3 314.393 2.055 20 30 DEEDHM Cc1cc(C=NN[C@@H]2C[C@@H](C)O[C@@H](C)C2)ccc1-c1nn[n-]n1 ZINC001605652161 1070798409 /nfs/dbraw/zinc/79/84/09/1070798409.db2.gz DXSZJPCOHWMRRG-DABQJJPHSA-N -1 3 314.393 2.055 20 30 DEEDHM Cc1cc(COC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1C#N ZINC001605667030 1070823956 /nfs/dbraw/zinc/82/39/56/1070823956.db2.gz ZTBYMROGZIZIOS-UHFFFAOYSA-N -1 3 319.324 2.404 20 30 DEEDHM Cc1cc(COC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1C#N ZINC001605667030 1070823982 /nfs/dbraw/zinc/82/39/82/1070823982.db2.gz ZTBYMROGZIZIOS-UHFFFAOYSA-N -1 3 319.324 2.404 20 30 DEEDHM Cc1csc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC001606005870 1071006057 /nfs/dbraw/zinc/00/60/57/1071006057.db2.gz WTQSGVNNQNWSOC-UHFFFAOYSA-N -1 3 324.369 2.290 20 30 DEEDHM Cc1csc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001606005870 1071006077 /nfs/dbraw/zinc/00/60/77/1071006077.db2.gz WTQSGVNNQNWSOC-UHFFFAOYSA-N -1 3 324.369 2.290 20 30 DEEDHM Cc1nc(C)c(C#N)c(SCc2ccccc2-c2nnn[n-]2)n1 ZINC001606035767 1071026523 /nfs/dbraw/zinc/02/65/23/1071026523.db2.gz DHMVIPNWSDRDER-UHFFFAOYSA-N -1 3 323.385 2.438 20 30 DEEDHM Cc1nc(C)c(C#N)c(SCc2ccccc2-c2nn[n-]n2)n1 ZINC001606035767 1071026532 /nfs/dbraw/zinc/02/65/32/1071026532.db2.gz DHMVIPNWSDRDER-UHFFFAOYSA-N -1 3 323.385 2.438 20 30 DEEDHM Clc1cnc(C=NNCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC001606196479 1071075955 /nfs/dbraw/zinc/07/59/55/1071075955.db2.gz OGHMQZRNBPYBCS-UHFFFAOYSA-N -1 3 319.781 2.100 20 30 DEEDHM Clc1cnc(C=NNCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC001606196479 1071075970 /nfs/dbraw/zinc/07/59/70/1071075970.db2.gz OGHMQZRNBPYBCS-UHFFFAOYSA-N -1 3 319.781 2.100 20 30 DEEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC001606337760 1071127439 /nfs/dbraw/zinc/12/74/39/1071127439.db2.gz MIBFBBYESIOGBP-FEAKQIBJSA-N -1 3 322.372 2.078 20 30 DEEDHM N#C[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC001606337760 1071127445 /nfs/dbraw/zinc/12/74/45/1071127445.db2.gz MIBFBBYESIOGBP-FEAKQIBJSA-N -1 3 322.372 2.078 20 30 DEEDHM N#Cc1ccc(CNC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001606368270 1071132736 /nfs/dbraw/zinc/13/27/36/1071132736.db2.gz HMSNBVFNTUBATH-UHFFFAOYSA-N -1 3 319.328 2.060 20 30 DEEDHM N#Cc1ccc(CNC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001606368270 1071132739 /nfs/dbraw/zinc/13/27/39/1071132739.db2.gz HMSNBVFNTUBATH-UHFFFAOYSA-N -1 3 319.328 2.060 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@H](OC2CCC2)C1 ZINC001606381230 1071136916 /nfs/dbraw/zinc/13/69/16/1071136916.db2.gz JYAJNRRBAWNYBG-AWEZNQCLSA-N -1 3 324.388 2.276 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@H](OC2CCC2)C1 ZINC001606381230 1071136919 /nfs/dbraw/zinc/13/69/19/1071136919.db2.gz JYAJNRRBAWNYBG-AWEZNQCLSA-N -1 3 324.388 2.276 20 30 DEEDHM N#Cc1ncccc1N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001606398492 1071140595 /nfs/dbraw/zinc/14/05/95/1071140595.db2.gz GNVVREAVINJOTI-CYBMUJFWSA-N -1 3 303.329 2.233 20 30 DEEDHM N#Cc1ncccc1N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001606398492 1071140607 /nfs/dbraw/zinc/14/06/07/1071140607.db2.gz GNVVREAVINJOTI-CYBMUJFWSA-N -1 3 303.329 2.233 20 30 DEEDHM COc1ccccc1CCCN1CCC(C#N)(C(=O)[O-])CC1 ZINC001607345802 1071417099 /nfs/dbraw/zinc/41/70/99/1071417099.db2.gz XOXIHHFAIXLENM-UHFFFAOYSA-N -1 3 302.374 2.318 20 30 DEEDHM CNC(=O)c1ccc(C(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC001458000820 1058040157 /nfs/dbraw/zinc/04/01/57/1058040157.db2.gz CEXPECVDLORYCE-UHFFFAOYSA-N -1 3 319.748 2.126 20 30 DEEDHM Cc1cc(=O)[n-]c(CNc2cc(C(F)(F)F)cc(C#N)n2)n1 ZINC001458470211 1058065174 /nfs/dbraw/zinc/06/51/74/1058065174.db2.gz RRGFNKUYSFVUCN-UHFFFAOYSA-N -1 3 309.251 2.388 20 30 DEEDHM COc1ncc([N-]C(=O)c2ocnc2C(F)(F)F)cc1C#N ZINC001471781754 1060292766 /nfs/dbraw/zinc/29/27/66/1060292766.db2.gz MXKWGUQORQXEON-UHFFFAOYSA-N -1 3 312.207 2.221 20 30 DEEDHM N#Cc1c(CN2CCC[C@@H]3COCC[C@@H]32)cccc1C(=O)[O-] ZINC001610623497 1078053135 /nfs/dbraw/zinc/05/31/35/1078053135.db2.gz OCOGKZPFXSQEJO-CJNGLKHVSA-N -1 3 300.358 2.257 20 30 DEEDHM C=C[C@@H](C)[C@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001493972342 1064053828 /nfs/dbraw/zinc/05/38/28/1064053828.db2.gz IJIRPPCHJMYOSE-XJFOESAGSA-N -1 3 316.401 2.227 20 30 DEEDHM N#Cc1cccc([N+](=O)[O-])c1CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC001610632272 1078054802 /nfs/dbraw/zinc/05/48/02/1078054802.db2.gz JGSVLXLRJQHCMK-SLEUVZQESA-N -1 3 315.329 2.152 20 30 DEEDHM NC(=O)c1ccc(C(=O)N([O-])CCCCc2ccccc2)nc1 ZINC001611653043 1078104460 /nfs/dbraw/zinc/10/44/60/1078104460.db2.gz BCJBVNSLISHOEL-UHFFFAOYSA-N -1 3 313.357 2.035 20 30 DEEDHM O=C(c1cc2c(cc1[O-])OCO2)N(O)Cc1ccc(F)cc1 ZINC001611666802 1078104958 /nfs/dbraw/zinc/10/49/58/1078104958.db2.gz BPVKRLBWYFWJQP-UHFFFAOYSA-N -1 3 305.261 2.292 20 30 DEEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(-c2cccs2)o1 ZINC001625082463 1078238344 /nfs/dbraw/zinc/23/83/44/1078238344.db2.gz JLVKDEOUKNPSQT-VIFPVBQESA-N -1 3 306.343 2.118 20 30 DEEDHM C#Cc1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001570108629 1065927530 /nfs/dbraw/zinc/92/75/30/1065927530.db2.gz CTXOLJDGXNQHDK-UHFFFAOYSA-N -1 3 303.325 2.024 20 30 DEEDHM C#Cc1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001570108629 1065927533 /nfs/dbraw/zinc/92/75/33/1065927533.db2.gz CTXOLJDGXNQHDK-UHFFFAOYSA-N -1 3 303.325 2.024 20 30 DEEDHM C=CCO[N-]C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC001627703931 1078281576 /nfs/dbraw/zinc/28/15/76/1078281576.db2.gz WZMGDMUQGRQMHG-UHFFFAOYSA-N -1 3 319.086 2.344 20 30 DEEDHM C=CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1[O-] ZINC001498726956 1066851126 /nfs/dbraw/zinc/85/11/26/1066851126.db2.gz GSIVGLNPZRCQOU-KBPBESRZSA-N -1 3 314.385 2.174 20 30 DEEDHM C#C[C@H](C)NC(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC001639230423 1078602149 /nfs/dbraw/zinc/60/21/49/1078602149.db2.gz NONWSPPXFAKOPH-QMMMGPOBSA-N -1 3 324.258 2.178 20 30 DEEDHM N#Cc1c2ccccc2[nH]c1C(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001640595098 1078668751 /nfs/dbraw/zinc/66/87/51/1078668751.db2.gz NWMLOPOSTLVJPI-SNVBAGLBSA-N -1 3 321.340 2.098 20 30 DEEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC[C@@H](C)[C@@H]1C ZINC001515556650 1068884497 /nfs/dbraw/zinc/88/44/97/1068884497.db2.gz WPQPGURLJBOBTB-NEPJUHHUSA-N -1 3 314.393 2.252 20 30 DEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CCC[C@H](CCF)C1 ZINC001520403485 1069132455 /nfs/dbraw/zinc/13/24/55/1069132455.db2.gz CHYAZNOODOOJSN-LLVKDONJSA-N -1 3 321.356 2.401 20 30 DEEDHM CC(C)N(CCC#N)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001574265083 1069190565 /nfs/dbraw/zinc/19/05/65/1069190565.db2.gz ZAKNZRCZGPQIPO-UHFFFAOYSA-N -1 3 318.768 2.284 20 30 DEEDHM CC(C)N(CCC#N)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001574265083 1069190568 /nfs/dbraw/zinc/19/05/68/1069190568.db2.gz ZAKNZRCZGPQIPO-UHFFFAOYSA-N -1 3 318.768 2.284 20 30 DEEDHM C=CCCn1cc(CN[C@@H](CC(=O)[O-])Cc2ccccc2)nn1 ZINC001327383328 1148543530 /nfs/dbraw/zinc/54/35/30/1148543530.db2.gz WMOUZHHWAXQQHJ-OAHLLOKOSA-N -1 3 314.389 2.030 20 30 DEEDHM COc1cccc([C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC001647074092 1074779760 /nfs/dbraw/zinc/77/97/60/1074779760.db2.gz TVAHDUKOAZIUIZ-NSHDSACASA-N -1 3 316.382 2.495 20 30 DEEDHM C=C[C@@](C)(O)CC(=O)Nc1nc2c(cccc2C(=O)OCC)[n-]1 ZINC001558739628 1075104137 /nfs/dbraw/zinc/10/41/37/1075104137.db2.gz FKUJYTVOTFUCIT-MRXNPFEDSA-N -1 3 317.345 2.005 20 30 DEEDHM COc1nccc(C(=O)N([O-])CCCCc2ccccc2)n1 ZINC001559034193 1075111459 /nfs/dbraw/zinc/11/14/59/1075111459.db2.gz QBNYNIROZQQFEY-UHFFFAOYSA-N -1 3 301.346 2.340 20 30 DEEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(F)c(OC)cc1F)C(C)(C)C ZINC001561618586 1075154388 /nfs/dbraw/zinc/15/43/88/1075154388.db2.gz VFHXRVFJPFBUPQ-CYBMUJFWSA-N -1 3 317.357 2.300 20 30 DEEDHM Cc1ccc(C#N)cc1C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001581137822 1076044545 /nfs/dbraw/zinc/04/45/45/1076044545.db2.gz IVNWWYLTDVURKV-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1ccc(C#N)cc1C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001581137822 1076044550 /nfs/dbraw/zinc/04/45/50/1076044550.db2.gz IVNWWYLTDVURKV-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM N#Cc1cc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cs1 ZINC001581864736 1076105457 /nfs/dbraw/zinc/10/54/57/1076105457.db2.gz LMIHIYSHZLRGER-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1cc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cs1 ZINC001581864736 1076105459 /nfs/dbraw/zinc/10/54/59/1076105459.db2.gz LMIHIYSHZLRGER-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1ccc(NC(=O)c2csc(-c3nnn[n-]3)c2)cc1F ZINC001581872921 1076106156 /nfs/dbraw/zinc/10/61/56/1076106156.db2.gz MPIIMGKZBVDBPQ-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1ccc(F)c(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001581871111 1076106288 /nfs/dbraw/zinc/10/62/88/1076106288.db2.gz HMTYMGZEGYPYCB-UHFFFAOYSA-N -1 3 322.303 2.059 20 30 DEEDHM N#Cc1ccc(F)c(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001581871111 1076106290 /nfs/dbraw/zinc/10/62/90/1076106290.db2.gz HMTYMGZEGYPYCB-UHFFFAOYSA-N -1 3 322.303 2.059 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@H](c2ccncc2)C1 ZINC001581874202 1076106928 /nfs/dbraw/zinc/10/69/28/1076106928.db2.gz IBJJTJCOUZXSGI-CQSZACIVSA-N -1 3 317.356 2.127 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@H](c2ccncc2)C1 ZINC001581874202 1076106931 /nfs/dbraw/zinc/10/69/31/1076106931.db2.gz IBJJTJCOUZXSGI-CQSZACIVSA-N -1 3 317.356 2.127 20 30 DEEDHM C=CC(C)(C)C(=O)NC[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001582822462 1076190489 /nfs/dbraw/zinc/19/04/89/1076190489.db2.gz IYSHAFDDPCVYED-GFCCVEGCSA-N -1 3 304.390 2.087 20 30 DEEDHM C#C[C@@H]1CCCN(c2nc(C(C)(C)C)ccc2-c2nnn[n-]2)C1 ZINC001588332332 1076441180 /nfs/dbraw/zinc/44/11/80/1076441180.db2.gz IRZMXUWSAFUDPC-GFCCVEGCSA-N -1 3 310.405 2.409 20 30 DEEDHM C#C[C@@H]1CCCN(c2nc(C(C)(C)C)ccc2-c2nn[n-]n2)C1 ZINC001588332332 1076441184 /nfs/dbraw/zinc/44/11/84/1076441184.db2.gz IRZMXUWSAFUDPC-GFCCVEGCSA-N -1 3 310.405 2.409 20 30 DEEDHM C#CC[C@@H]1CCN(c2nc(C(C)(C)C)ccc2-c2nnn[n-]2)C1 ZINC001588336521 1076442127 /nfs/dbraw/zinc/44/21/27/1076442127.db2.gz BQCBSMFSMJMVDM-GFCCVEGCSA-N -1 3 310.405 2.409 20 30 DEEDHM C#CC[C@@H]1CCN(c2nc(C(C)(C)C)ccc2-c2nn[n-]n2)C1 ZINC001588336521 1076442129 /nfs/dbraw/zinc/44/21/29/1076442129.db2.gz BQCBSMFSMJMVDM-GFCCVEGCSA-N -1 3 310.405 2.409 20 30 DEEDHM C#CCN(C(=O)Nc1scc(C)c1-c1nnn[n-]1)C(C)C ZINC001588348215 1076443261 /nfs/dbraw/zinc/44/32/61/1076443261.db2.gz MIESJRKQRHBERS-UHFFFAOYSA-N -1 3 304.379 2.112 20 30 DEEDHM C#CCN(C(=O)Nc1scc(C)c1-c1nn[n-]n1)C(C)C ZINC001588348215 1076443264 /nfs/dbraw/zinc/44/32/64/1076443264.db2.gz MIESJRKQRHBERS-UHFFFAOYSA-N -1 3 304.379 2.112 20 30 DEEDHM C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(-c3nn[n-]n3)c2[O-])CC1 ZINC001588365527 1076443639 /nfs/dbraw/zinc/44/36/39/1076443639.db2.gz XCGGKYFGDNTDHD-AVGNSLFASA-N -1 3 311.389 2.415 20 30 DEEDHM C#Cc1cccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588375017 1076444245 /nfs/dbraw/zinc/44/42/45/1076444245.db2.gz AQXJEQWROLKUSZ-UHFFFAOYSA-N -1 3 305.341 2.339 20 30 DEEDHM C#Cc1ccccc1CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F ZINC001588377058 1076444684 /nfs/dbraw/zinc/44/46/84/1076444684.db2.gz OPLYGSCUYSLNMM-UHFFFAOYSA-N -1 3 322.299 2.135 20 30 DEEDHM C#Cc1ccccc1CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F ZINC001588377058 1076444687 /nfs/dbraw/zinc/44/46/87/1076444687.db2.gz OPLYGSCUYSLNMM-UHFFFAOYSA-N -1 3 322.299 2.135 20 30 DEEDHM C=C(C)[C@@H](C)OC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588401919 1076446314 /nfs/dbraw/zinc/44/63/14/1076446314.db2.gz ADBXCOPLSNZSNH-LLVKDONJSA-N -1 3 324.344 2.174 20 30 DEEDHM C=C(C)[C@@H](C)OC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588401919 1076446317 /nfs/dbraw/zinc/44/63/17/1076446317.db2.gz ADBXCOPLSNZSNH-LLVKDONJSA-N -1 3 324.344 2.174 20 30 DEEDHM C=C(CSc1ccc(-c2nnn[n-]2)c(C)c1)C(=O)OCC ZINC001588449568 1076449181 /nfs/dbraw/zinc/44/91/81/1076449181.db2.gz SRYNMQFTCRETRS-UHFFFAOYSA-N -1 3 304.375 2.387 20 30 DEEDHM C=C(CSc1ccc(-c2nn[n-]n2)c(C)c1)C(=O)OCC ZINC001588449568 1076449186 /nfs/dbraw/zinc/44/91/86/1076449186.db2.gz SRYNMQFTCRETRS-UHFFFAOYSA-N -1 3 304.375 2.387 20 30 DEEDHM C=C1CC(c2noc(CNc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC001588456213 1076449316 /nfs/dbraw/zinc/44/93/16/1076449316.db2.gz IXTFAHZNPHAKLV-UHFFFAOYSA-N -1 3 309.333 2.295 20 30 DEEDHM C=C1CCC(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001588462623 1076449377 /nfs/dbraw/zinc/44/93/77/1076449377.db2.gz QSIHZPPJVPREIZ-UHFFFAOYSA-N -1 3 315.352 2.368 20 30 DEEDHM C=C1CCC(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001588462623 1076449378 /nfs/dbraw/zinc/44/93/78/1076449378.db2.gz QSIHZPPJVPREIZ-UHFFFAOYSA-N -1 3 315.352 2.368 20 30 DEEDHM C=C[C@@H]1CCCCN1Cc1cc(-c2nnn[n-]2)cnc1Cl ZINC001588527462 1076451185 /nfs/dbraw/zinc/45/11/85/1076451185.db2.gz KUBSIIZGEVNSAO-GFCCVEGCSA-N -1 3 304.785 2.456 20 30 DEEDHM C=C[C@@H]1CCCCN1Cc1cc(-c2nn[n-]n2)cnc1Cl ZINC001588527462 1076451186 /nfs/dbraw/zinc/45/11/86/1076451186.db2.gz KUBSIIZGEVNSAO-GFCCVEGCSA-N -1 3 304.785 2.456 20 30 DEEDHM C=CC[C@H](CC)NC(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588541673 1076452862 /nfs/dbraw/zinc/45/28/62/1076452862.db2.gz QCCRELRJXHQXJL-JTQLQIEISA-N -1 3 316.365 2.352 20 30 DEEDHM C=CC[C@H](CC)NC(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588541673 1076452866 /nfs/dbraw/zinc/45/28/66/1076452866.db2.gz QCCRELRJXHQXJL-JTQLQIEISA-N -1 3 316.365 2.352 20 30 DEEDHM C=CCCOCC(=O)OCc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588615958 1076457275 /nfs/dbraw/zinc/45/72/75/1076457275.db2.gz OXTVUJJIYIBXSC-UHFFFAOYSA-N -1 3 316.361 2.119 20 30 DEEDHM C=CCCOCC(=O)OCc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588615958 1076457277 /nfs/dbraw/zinc/45/72/77/1076457277.db2.gz OXTVUJJIYIBXSC-UHFFFAOYSA-N -1 3 316.361 2.119 20 30 DEEDHM C=CCCO[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001588611617 1076457311 /nfs/dbraw/zinc/45/73/11/1076457311.db2.gz VDDFPXVUUNEMKD-SNVBAGLBSA-N -1 3 319.340 2.234 20 30 DEEDHM C=CCCO[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001588611617 1076457312 /nfs/dbraw/zinc/45/73/12/1076457312.db2.gz VDDFPXVUUNEMKD-SNVBAGLBSA-N -1 3 319.340 2.234 20 30 DEEDHM C=CCN(C)c1nnc(-c2ccc(C)c(-c3nnn[n-]3)c2)n1CC ZINC001588626369 1076458285 /nfs/dbraw/zinc/45/82/85/1076458285.db2.gz GXINEMOEWMDNOB-UHFFFAOYSA-N -1 3 324.392 2.076 20 30 DEEDHM C=CCN(C)c1nnc(-c2ccc(C)c(-c3nn[n-]n3)c2)n1CC ZINC001588626369 1076458289 /nfs/dbraw/zinc/45/82/89/1076458289.db2.gz GXINEMOEWMDNOB-UHFFFAOYSA-N -1 3 324.392 2.076 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](F)CC ZINC001588639569 1076459476 /nfs/dbraw/zinc/45/94/76/1076459476.db2.gz UHZDHBNVRSIKRS-CYBMUJFWSA-N -1 3 303.341 2.129 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](F)CC ZINC001588639569 1076459479 /nfs/dbraw/zinc/45/94/79/1076459479.db2.gz UHZDHBNVRSIKRS-CYBMUJFWSA-N -1 3 303.341 2.129 20 30 DEEDHM C=CCN(Cc1cncn1CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588648059 1076459847 /nfs/dbraw/zinc/45/98/47/1076459847.db2.gz FLDLVIVWZSADOW-UHFFFAOYSA-N -1 3 323.404 2.271 20 30 DEEDHM C=CCn1cnnc1SCc1cccc(-c2nnn[n-]2)c1F ZINC001588717097 1076462164 /nfs/dbraw/zinc/46/21/64/1076462164.db2.gz SVJPYZMGXSDOCN-UHFFFAOYSA-N -1 3 317.353 2.076 20 30 DEEDHM C=CCn1cnnc1SCc1cccc(-c2nn[n-]n2)c1F ZINC001588717097 1076462165 /nfs/dbraw/zinc/46/21/65/1076462165.db2.gz SVJPYZMGXSDOCN-UHFFFAOYSA-N -1 3 317.353 2.076 20 30 DEEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001589085845 1076474397 /nfs/dbraw/zinc/47/43/97/1076474397.db2.gz KIINRWFVSGXPBX-NSHDSACASA-N -1 3 318.768 2.188 20 30 DEEDHM CC(C)(C)[C@H](C#N)NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001589085845 1076474398 /nfs/dbraw/zinc/47/43/98/1076474398.db2.gz KIINRWFVSGXPBX-NSHDSACASA-N -1 3 318.768 2.188 20 30 DEEDHM CC1(C)CCN(c2c(C#N)cccc2-c2nnn[n-]2)CCS1 ZINC001590100121 1076565060 /nfs/dbraw/zinc/56/50/60/1076565060.db2.gz LRKIVNBRFURZAR-UHFFFAOYSA-N -1 3 314.418 2.460 20 30 DEEDHM CC1(C)CCN(c2c(C#N)cccc2-c2nn[n-]n2)CCS1 ZINC001590100121 1076565062 /nfs/dbraw/zinc/56/50/62/1076565062.db2.gz LRKIVNBRFURZAR-UHFFFAOYSA-N -1 3 314.418 2.460 20 30 DEEDHM CCC(=NOC[C@@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590360329 1076615356 /nfs/dbraw/zinc/61/53/56/1076615356.db2.gz VVJZIYLXHJOBON-LLVKDONJSA-N -1 3 301.350 2.034 20 30 DEEDHM CCC(=NOC[C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590360329 1076615359 /nfs/dbraw/zinc/61/53/59/1076615359.db2.gz VVJZIYLXHJOBON-LLVKDONJSA-N -1 3 301.350 2.034 20 30 DEEDHM CC[C@H](C#N)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001590866198 1076686139 /nfs/dbraw/zinc/68/61/39/1076686139.db2.gz HPIKDPLXGMQYSD-CQSZACIVSA-N -1 3 324.388 2.097 20 30 DEEDHM CC[C@H](C#N)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001590866198 1076686141 /nfs/dbraw/zinc/68/61/41/1076686141.db2.gz HPIKDPLXGMQYSD-CQSZACIVSA-N -1 3 324.388 2.097 20 30 DEEDHM CN(C(=O)Nc1sccc1-c1nnn[n-]1)[C@H]1CCC[C@H]1C#N ZINC001590985377 1076701137 /nfs/dbraw/zinc/70/11/37/1076701137.db2.gz NJWNJTFHZLIGQW-WPRPVWTQSA-N -1 3 317.378 2.084 20 30 DEEDHM CN(C(=O)Nc1sccc1-c1nn[n-]n1)[C@H]1CCC[C@H]1C#N ZINC001590985377 1076701141 /nfs/dbraw/zinc/70/11/41/1076701141.db2.gz NJWNJTFHZLIGQW-WPRPVWTQSA-N -1 3 317.378 2.084 20 30 DEEDHM COc1c(O)cccc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001591478578 1076746955 /nfs/dbraw/zinc/74/69/55/1076746955.db2.gz FMLBWTMCLGPPKJ-MDZDMXLPSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1c(O)cccc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001591478578 1076746958 /nfs/dbraw/zinc/74/69/58/1076746958.db2.gz FMLBWTMCLGPPKJ-MDZDMXLPSA-N -1 3 322.324 2.477 20 30 DEEDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cs1 ZINC001591932465 1076808627 /nfs/dbraw/zinc/80/86/27/1076808627.db2.gz RBXZEAXPGRRTII-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cs1 ZINC001591932465 1076808630 /nfs/dbraw/zinc/80/86/30/1076808630.db2.gz RBXZEAXPGRRTII-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1cnc(CNc2c(C#N)cccc2-c2nnn[n-]2)c(C)c1 ZINC001592293875 1076892263 /nfs/dbraw/zinc/89/22/63/1076892263.db2.gz ORNJBTQNSYMRCD-UHFFFAOYSA-N -1 3 305.345 2.362 20 30 DEEDHM Cc1cnc(CNc2c(C#N)cccc2-c2nn[n-]n2)c(C)c1 ZINC001592293875 1076892267 /nfs/dbraw/zinc/89/22/67/1076892267.db2.gz ORNJBTQNSYMRCD-UHFFFAOYSA-N -1 3 305.345 2.362 20 30 DEEDHM Cc1csc(NC(=O)c2ccc(C#N)s2)c1-c1nnn[n-]1 ZINC001592320064 1076895987 /nfs/dbraw/zinc/89/59/87/1076895987.db2.gz GBYCJSIBPMLNKY-UHFFFAOYSA-N -1 3 316.371 2.422 20 30 DEEDHM Cc1csc(NC(=O)c2ccc(C#N)s2)c1-c1nn[n-]n1 ZINC001592320064 1076895991 /nfs/dbraw/zinc/89/59/91/1076895991.db2.gz GBYCJSIBPMLNKY-UHFFFAOYSA-N -1 3 316.371 2.422 20 30 DEEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC[C@@H]2CCSC2)n1 ZINC001592524465 1076923644 /nfs/dbraw/zinc/92/36/44/1076923644.db2.gz JJPIXPYINSXABI-ZETCQYMHSA-N -1 3 309.786 2.066 20 30 DEEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC[C@@H]2CCSC2)n1 ZINC001592524465 1076923648 /nfs/dbraw/zinc/92/36/48/1076923648.db2.gz JJPIXPYINSXABI-ZETCQYMHSA-N -1 3 309.786 2.066 20 30 DEEDHM N#CCCCCCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001592674362 1076950844 /nfs/dbraw/zinc/95/08/44/1076950844.db2.gz BQQVYOWYPGKYBE-UHFFFAOYSA-N -1 3 302.313 2.418 20 30 DEEDHM N#CCCCCCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001592674362 1076950847 /nfs/dbraw/zinc/95/08/47/1076950847.db2.gz BQQVYOWYPGKYBE-UHFFFAOYSA-N -1 3 302.313 2.418 20 30 DEEDHM N#CCCN(Cc1ccc(-c2nnn[n-]2)c(F)c1)CC1CC1 ZINC001592676971 1076951628 /nfs/dbraw/zinc/95/16/28/1076951628.db2.gz NFHWOZCUAULVDR-UHFFFAOYSA-N -1 3 300.341 2.131 20 30 DEEDHM N#CCCN(Cc1ccc(-c2nn[n-]n2)c(F)c1)CC1CC1 ZINC001592676971 1076951630 /nfs/dbraw/zinc/95/16/30/1076951630.db2.gz NFHWOZCUAULVDR-UHFFFAOYSA-N -1 3 300.341 2.131 20 30 DEEDHM N#CCc1ccc(NC(=O)c2csc(-c3nnn[n-]3)c2)cc1 ZINC001592680212 1076952064 /nfs/dbraw/zinc/95/20/64/1076952064.db2.gz REWPUNZAJSHXMH-UHFFFAOYSA-N -1 3 310.342 2.247 20 30 DEEDHM N#Cc1ccc(NC(=O)C2(C3CC3)CCC2)cc1-c1nnn[n-]1 ZINC001592695421 1076953087 /nfs/dbraw/zinc/95/30/87/1076953087.db2.gz RHQPSLSBDMLXPL-UHFFFAOYSA-N -1 3 308.345 2.257 20 30 DEEDHM N#Cc1ccc(NC(=O)C2(C3CC3)CCC2)cc1-c1nn[n-]n1 ZINC001592695421 1076953090 /nfs/dbraw/zinc/95/30/90/1076953090.db2.gz RHQPSLSBDMLXPL-UHFFFAOYSA-N -1 3 308.345 2.257 20 30 DEEDHM N#Cc1ccc(CNc2ncccc2-c2nnn[n-]2)cc1Cl ZINC001592694482 1076953256 /nfs/dbraw/zinc/95/32/56/1076953256.db2.gz VYJMXCUHBOINKP-UHFFFAOYSA-N -1 3 311.736 2.399 20 30 DEEDHM N#Cc1ccc(CNc2ncccc2-c2nn[n-]n2)cc1Cl ZINC001592694482 1076953258 /nfs/dbraw/zinc/95/32/58/1076953258.db2.gz VYJMXCUHBOINKP-UHFFFAOYSA-N -1 3 311.736 2.399 20 30 DEEDHM N#Cc1ccc(CSc2cc(-c3nnn[n-]3)ccn2)s1 ZINC001592693929 1076953748 /nfs/dbraw/zinc/95/37/48/1076953748.db2.gz GPEQRBLDFBWOIX-UHFFFAOYSA-N -1 3 300.372 2.487 20 30 DEEDHM N#Cc1ccc(CSc2cc(-c3nn[n-]n3)ccn2)s1 ZINC001592693929 1076953751 /nfs/dbraw/zinc/95/37/51/1076953751.db2.gz GPEQRBLDFBWOIX-UHFFFAOYSA-N -1 3 300.372 2.487 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC2(CCCCO2)CC1 ZINC001592699252 1076954628 /nfs/dbraw/zinc/95/46/28/1076954628.db2.gz TYZWHMDJLUVELS-UHFFFAOYSA-N -1 3 324.388 2.278 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC2(CCCCO2)CC1 ZINC001592699252 1076954633 /nfs/dbraw/zinc/95/46/33/1076954633.db2.gz TYZWHMDJLUVELS-UHFFFAOYSA-N -1 3 324.388 2.278 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc([N+](=O)[O-])cc1 ZINC001592700664 1076955606 /nfs/dbraw/zinc/95/56/06/1076955606.db2.gz ONMLIVXDOBIILB-UHFFFAOYSA-N -1 3 308.257 2.439 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc([N+](=O)[O-])cc1 ZINC001592700664 1076955609 /nfs/dbraw/zinc/95/56/09/1076955609.db2.gz ONMLIVXDOBIILB-UHFFFAOYSA-N -1 3 308.257 2.439 20 30 DEEDHM N#CC1(C(=O)[O-])CCN(C[C@@H]2CC3(CO2)CCCCC3)CC1 ZINC001601053162 1077326837 /nfs/dbraw/zinc/32/68/37/1077326837.db2.gz RFRKYWCNVZQFLA-AWEZNQCLSA-N -1 3 306.406 2.416 20 30 DEEDHM Cc1ccccc1NC(=O)CCN1CCC(C#N)(C(=O)[O-])CC1 ZINC001607885648 1077552342 /nfs/dbraw/zinc/55/23/42/1077552342.db2.gz UWMQYPZHXVUEJP-UHFFFAOYSA-N -1 3 315.373 2.014 20 30 DEEDHM C=CCC(F)(F)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC001609054163 1077749954 /nfs/dbraw/zinc/74/99/54/1077749954.db2.gz ZZAUYYLSXLJMCG-UHFFFAOYSA-N -1 3 312.251 2.260 20 30 DEEDHM C=CCC(F)(F)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC001609054163 1077749957 /nfs/dbraw/zinc/74/99/57/1077749957.db2.gz ZZAUYYLSXLJMCG-UHFFFAOYSA-N -1 3 312.251 2.260 20 30 DEEDHM C=CCCO[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001609055169 1077751076 /nfs/dbraw/zinc/75/10/76/1077751076.db2.gz SQUUBNSYXBAREC-LLVKDONJSA-N -1 3 301.350 2.095 20 30 DEEDHM C=CCCO[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001609055169 1077751080 /nfs/dbraw/zinc/75/10/80/1077751080.db2.gz SQUUBNSYXBAREC-LLVKDONJSA-N -1 3 301.350 2.095 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccncc1 ZINC001609056935 1077751380 /nfs/dbraw/zinc/75/13/80/1077751380.db2.gz NJDCAAOPKYPSSD-UHFFFAOYSA-N -1 3 320.356 2.090 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccncc1 ZINC001609056935 1077751384 /nfs/dbraw/zinc/75/13/84/1077751384.db2.gz NJDCAAOPKYPSSD-UHFFFAOYSA-N -1 3 320.356 2.090 20 30 DEEDHM CC(C)c1noc([C@@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001609106994 1077762421 /nfs/dbraw/zinc/76/24/21/1077762421.db2.gz KSLBIUXURFQSEA-GFCCVEGCSA-N -1 3 309.333 2.223 20 30 DEEDHM CC(C)c1noc([C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001609106994 1077762424 /nfs/dbraw/zinc/76/24/24/1077762424.db2.gz KSLBIUXURFQSEA-GFCCVEGCSA-N -1 3 309.333 2.223 20 30 DEEDHM CCC[C@@H](CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)OC ZINC001609204507 1077798266 /nfs/dbraw/zinc/79/82/66/1077798266.db2.gz GMXXNXBBLCNIFD-VIFPVBQESA-N -1 3 309.761 2.128 20 30 DEEDHM CCC[C@@H](CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)OC ZINC001609204507 1077798271 /nfs/dbraw/zinc/79/82/71/1077798271.db2.gz GMXXNXBBLCNIFD-VIFPVBQESA-N -1 3 309.761 2.128 20 30 DEEDHM Cc1c(C(=O)Nc2ccc(F)cc2C#N)cccc1-c1nnn[n-]1 ZINC001609382222 1077845042 /nfs/dbraw/zinc/84/50/42/1077845042.db2.gz QVBWGCNUPUBIAU-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1c(C(=O)Nc2ccc(F)cc2C#N)cccc1-c1nn[n-]n1 ZINC001609382222 1077845044 /nfs/dbraw/zinc/84/50/44/1077845044.db2.gz QVBWGCNUPUBIAU-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM O=C(C=Cc1cnccn1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001609519881 1077873011 /nfs/dbraw/zinc/87/30/11/1077873011.db2.gz RVJHQFSGVGXMPF-DUXPYHPUSA-N -1 3 312.720 2.206 20 30 DEEDHM O=C(C=Cc1cnccn1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001609519881 1077873013 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CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCC[C@H](CC#N)C1 ZINC001602969340 1069809428 /nfs/dbraw/zinc/80/94/28/1069809428.db2.gz MEPGXMAXUBTCGV-GFCCVEGCSA-N -1 3 310.361 2.199 20 30 DEEDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCC[C@H](CC#N)C1 ZINC001602969340 1069809451 /nfs/dbraw/zinc/80/94/51/1069809451.db2.gz MEPGXMAXUBTCGV-GFCCVEGCSA-N -1 3 310.361 2.199 20 30 DEEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CCC(C)CC1 ZINC001524190606 1069848194 /nfs/dbraw/zinc/84/81/94/1069848194.db2.gz YHPKJXZOKCCHHV-UHFFFAOYSA-N -1 3 303.366 2.451 20 30 DEEDHM CC(C)c1nccnc1N=NCc1ccc(-c2nnn[n-]2)cc1 ZINC001603415964 1069964994 /nfs/dbraw/zinc/96/49/94/1069964994.db2.gz RUUDDECJWDANQX-UHFFFAOYSA-N -1 3 308.349 2.226 20 30 DEEDHM CC(C)c1nccnc1N=NCc1ccc(-c2nn[n-]n2)cc1 ZINC001603415964 1069964999 /nfs/dbraw/zinc/96/49/99/1069964999.db2.gz RUUDDECJWDANQX-UHFFFAOYSA-N -1 3 308.349 2.226 20 30 DEEDHM Cc1oc(CNCCOc2ccc(C#N)cc2)cc1C(=O)[O-] ZINC001610585578 1078047159 /nfs/dbraw/zinc/04/71/59/1078047159.db2.gz 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/nfs/dbraw/zinc/37/73/71/1070377371.db2.gz KJKSTJJAROCENQ-UHFFFAOYSA-N -1 3 300.366 2.213 20 30 DEEDHM Cc1cc(C#N)cc(NC(=O)c2cccc(-c3nnn[n-]3)c2C)n1 ZINC001605588917 1070772235 /nfs/dbraw/zinc/77/22/35/1070772235.db2.gz NTQSKXKGIXBRPX-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(C#N)cc(NC(=O)c2cccc(-c3nn[n-]n3)c2C)n1 ZINC001605588917 1070772243 /nfs/dbraw/zinc/77/22/43/1070772243.db2.gz NTQSKXKGIXBRPX-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(N2CCc3ccc(-c4nnn[n-]4)cc32)ncc1C#N ZINC001605699969 1070850899 /nfs/dbraw/zinc/85/08/99/1070850899.db2.gz ORZNPYFUHASVIM-UHFFFAOYSA-N -1 3 303.329 2.136 20 30 DEEDHM Cc1cc(N2CCc3ccc(-c4nn[n-]n4)cc32)ncc1C#N ZINC001605699969 1070850923 /nfs/dbraw/zinc/85/09/23/1070850923.db2.gz ORZNPYFUHASVIM-UHFFFAOYSA-N -1 3 303.329 2.136 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)NCC(C)(C)CCC#N ZINC001605791740 1070913595 /nfs/dbraw/zinc/91/35/95/1070913595.db2.gz YPBNYXNGMQRQRB-UHFFFAOYSA-N -1 3 312.377 2.235 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)NCC(C)(C)CCC#N ZINC001605791740 1070913609 /nfs/dbraw/zinc/91/36/09/1070913609.db2.gz YPBNYXNGMQRQRB-UHFFFAOYSA-N -1 3 312.377 2.235 20 30 DEEDHM Cc1nsc(N2Cc3cccc(C#N)c3C2)c1-c1nnn[n-]1 ZINC001606148407 1071052235 /nfs/dbraw/zinc/05/22/35/1071052235.db2.gz HUQKDFQYWYWISJ-UHFFFAOYSA-N -1 3 309.358 2.024 20 30 DEEDHM Fc1cc(C=NOCCC(F)(F)F)ccc1-c1nnn[n-]1 ZINC001606309180 1071109482 /nfs/dbraw/zinc/10/94/82/1071109482.db2.gz PJALOXYQZBRKLA-UHFFFAOYSA-N -1 3 303.219 2.309 20 30 DEEDHM Fc1cc(C=NOCCC(F)(F)F)ccc1-c1nn[n-]n1 ZINC001606309180 1071109486 /nfs/dbraw/zinc/10/94/86/1071109486.db2.gz PJALOXYQZBRKLA-UHFFFAOYSA-N -1 3 303.219 2.309 20 30 DEEDHM N#C[C@H](C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccn1 ZINC001606336759 1071126312 /nfs/dbraw/zinc/12/63/12/1071126312.db2.gz KVXQYDVJLMPLIF-NSHDSACASA-N -1 3 324.731 2.405 20 30 DEEDHM N#C[C@H](C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccn1 ZINC001606336759 1071126319 /nfs/dbraw/zinc/12/63/19/1071126319.db2.gz KVXQYDVJLMPLIF-NSHDSACASA-N -1 3 324.731 2.405 20 30 DEEDHM N#CCCCCC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001606347768 1071131967 /nfs/dbraw/zinc/13/19/67/1071131967.db2.gz AUESJUOLZDKKDP-CQSZACIVSA-N -1 3 310.361 2.054 20 30 DEEDHM N#CCCCCC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001606347768 1071131969 /nfs/dbraw/zinc/13/19/69/1071131969.db2.gz AUESJUOLZDKKDP-CQSZACIVSA-N -1 3 310.361 2.054 20 30 DEEDHM N#CCCCCC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001606347816 1071130689 /nfs/dbraw/zinc/13/06/89/1071130689.db2.gz CTVGPIZEPAYLJA-UHFFFAOYSA-N -1 3 310.361 2.056 20 30 DEEDHM N#CCCCCC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001606347816 1071130692 /nfs/dbraw/zinc/13/06/92/1071130692.db2.gz CTVGPIZEPAYLJA-UHFFFAOYSA-N -1 3 310.361 2.056 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2ccccc2CC1 ZINC001606380343 1071137027 /nfs/dbraw/zinc/13/70/27/1071137027.db2.gz UXICJDNNQICCIB-UHFFFAOYSA-N -1 3 316.368 2.344 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2ccccc2CC1 ZINC001606380343 1071137031 /nfs/dbraw/zinc/13/70/31/1071137031.db2.gz UXICJDNNQICCIB-UHFFFAOYSA-N -1 3 316.368 2.344 20 30 DEEDHM N#Cc1cccc(COC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC001606380310 1071137398 /nfs/dbraw/zinc/13/73/98/1071137398.db2.gz ZAIFDRDIJCJTDE-UHFFFAOYSA-N -1 3 311.326 2.157 20 30 DEEDHM O=C1[C@H](NCc2ccc(C(F)(F)F)nc2Cl)CCCN1[O-] ZINC001462405141 1058819184 /nfs/dbraw/zinc/81/91/84/1058819184.db2.gz QEZPTXFWXKLMPX-MRVPVSSYSA-N -1 3 323.702 2.224 20 30 DEEDHM C=CCCCC(=O)NC/C=C\CNC(=O)c1ccccc1[O-] ZINC001533383779 1071829440 /nfs/dbraw/zinc/82/94/40/1071829440.db2.gz UAAVTRLQBRZQLY-FPLPWBNLSA-N -1 3 302.374 2.151 20 30 DEEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C#N)CC(C)C)c1 ZINC001464671514 1059177874 /nfs/dbraw/zinc/17/78/74/1059177874.db2.gz XBZRCGALWYCYOG-LBPRGKRZSA-N -1 3 301.346 2.185 20 30 DEEDHM C=C(C)CCC(=O)NCC1(NC(=O)c2ccccc2[O-])CC1 ZINC001535511741 1072110431 /nfs/dbraw/zinc/11/04/31/1072110431.db2.gz LZIORDFIORECQO-UHFFFAOYSA-N -1 3 302.374 2.127 20 30 DEEDHM C=CC(C)(C)CC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001493819190 1063975301 /nfs/dbraw/zinc/97/53/01/1063975301.db2.gz QFFFLAYXDPLAEN-ZDUSSCGKSA-N -1 3 316.401 2.325 20 30 DEEDHM CC#CCN[C@H](CNC(=O)c1ccccc1[O-])c1ccccc1 ZINC001493884835 1064010277 /nfs/dbraw/zinc/01/02/77/1064010277.db2.gz QHDMJQYMVSEPFJ-QGZVFWFLSA-N -1 3 308.381 2.476 20 30 DEEDHM C#CCCN1CCN(C(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001626211790 1078077506 /nfs/dbraw/zinc/07/75/06/1078077506.db2.gz BDCHSLBMTJDGBP-UHFFFAOYSA-N -1 3 314.410 2.388 20 30 DEEDHM C[C@@H](NC(=O)c1ccsc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001575344474 1066271943 /nfs/dbraw/zinc/27/19/43/1066271943.db2.gz OEIGPRQYXHBOTD-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@@H](NC(=O)c1ccsc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001575344474 1066271954 /nfs/dbraw/zinc/27/19/54/1066271954.db2.gz OEIGPRQYXHBOTD-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@@H](NC(=O)c1csc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001575356627 1066274077 /nfs/dbraw/zinc/27/40/77/1066274077.db2.gz QJEXICYOCKUIFE-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM CON=Cc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001634708665 1078436347 /nfs/dbraw/zinc/43/63/47/1078436347.db2.gz GGNSWVCRJVMGBT-UHFFFAOYSA-N -1 3 322.328 2.099 20 30 DEEDHM CON=Cc1ccc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001634708665 1078436349 /nfs/dbraw/zinc/43/63/49/1078436349.db2.gz GGNSWVCRJVMGBT-UHFFFAOYSA-N -1 3 322.328 2.099 20 30 DEEDHM CCCCCC(=O)N([O-])CCCN1C(=O)c2ccccc2C1=O ZINC001639049467 1078591988 /nfs/dbraw/zinc/59/19/88/1078591988.db2.gz DSEWSFRQMWGIRP-UHFFFAOYSA-N -1 3 318.373 2.471 20 30 DEEDHM COc1cncc(C(=O)N([O-])CCCCc2ccccc2)n1 ZINC001639062326 1078592265 /nfs/dbraw/zinc/59/22/65/1078592265.db2.gz JXAHHWUSYKUQTQ-UHFFFAOYSA-N -1 3 301.346 2.340 20 30 DEEDHM C#CCN(C)CCCNC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001641720490 1078725560 /nfs/dbraw/zinc/72/55/60/1078725560.db2.gz UDQBSYNWXCCXSS-UHFFFAOYSA-N -1 3 315.200 2.384 20 30 DEEDHM CCCCN([O-])C(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC001641870755 1078732784 /nfs/dbraw/zinc/73/27/84/1078732784.db2.gz LTWIFAQIFBCKND-CQSZACIVSA-N -1 3 323.412 2.354 20 30 DEEDHM O=C(Cc1csc2nccn12)N([O-])Cc1ccc(F)cc1 ZINC001641878233 1078732855 /nfs/dbraw/zinc/73/28/55/1078732855.db2.gz ZSLQGKYOVYXJAC-UHFFFAOYSA-N -1 3 305.334 2.495 20 30 DEEDHM C=CCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001572359960 1068730155 /nfs/dbraw/zinc/73/01/55/1068730155.db2.gz NCMUPMFCGZCNQE-TZMCWYRMSA-N -1 3 302.374 2.078 20 30 DEEDHM C=C(C)CCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C[C@H]1C ZINC001572400198 1068752988 /nfs/dbraw/zinc/75/29/88/1068752988.db2.gz HKZRBKJDCHXQJK-KGLIPLIRSA-N -1 3 316.401 2.468 20 30 DEEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC001561528680 1075153794 /nfs/dbraw/zinc/15/37/94/1075153794.db2.gz PKHXKTSFVSVXJZ-SNVBAGLBSA-N -1 3 314.338 2.123 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)Nc1cc(C#N)ccn1 ZINC001580612300 1075960533 /nfs/dbraw/zinc/96/05/33/1075960533.db2.gz LHKAICXPWAGDQW-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)Nc1cc(C#N)ccn1 ZINC001580612300 1075960539 /nfs/dbraw/zinc/96/05/39/1075960539.db2.gz LHKAICXPWAGDQW-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(C#N)ccc1C(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001580768945 1075990639 /nfs/dbraw/zinc/99/06/39/1075990639.db2.gz SJRMIJKCUKMIIB-UHFFFAOYSA-N -1 3 324.369 2.038 20 30 DEEDHM Cc1cc(NC(=O)c2cc(C#N)ccc2F)cc(-c2nnn[n-]2)c1 ZINC001580984348 1076028767 /nfs/dbraw/zinc/02/87/67/1076028767.db2.gz YNMOIIYQFWBSIC-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1cc(NC(=O)c2cc(C#N)ccc2F)cc(-c2nn[n-]n2)c1 ZINC001580984348 1076028774 /nfs/dbraw/zinc/02/87/74/1076028774.db2.gz YNMOIIYQFWBSIC-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1cc(N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)ncc1C#N ZINC001581010094 1076032564 /nfs/dbraw/zinc/03/25/64/1076032564.db2.gz DWOLSUKTUKTZPT-OAHLLOKOSA-N -1 3 317.356 2.021 20 30 DEEDHM Cc1cc(N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)ncc1C#N ZINC001581010094 1076032571 /nfs/dbraw/zinc/03/25/71/1076032571.db2.gz DWOLSUKTUKTZPT-OAHLLOKOSA-N -1 3 317.356 2.021 20 30 DEEDHM N#CCc1ccc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)cc1 ZINC001581858649 1076104044 /nfs/dbraw/zinc/10/40/44/1076104044.db2.gz PDNANFBJLUJUMV-UHFFFAOYSA-N -1 3 322.303 2.324 20 30 DEEDHM N#CCc1ccc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)cc1 ZINC001581858649 1076104047 /nfs/dbraw/zinc/10/40/47/1076104047.db2.gz PDNANFBJLUJUMV-UHFFFAOYSA-N -1 3 322.303 2.324 20 30 DEEDHM N#Cc1cccc(C#N)c1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001581875045 1076106919 /nfs/dbraw/zinc/10/69/19/1076106919.db2.gz SZCVCLJFCCEYCH-UHFFFAOYSA-N -1 3 313.324 2.130 20 30 DEEDHM N#Cc1cccc(C#N)c1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001581875045 1076106922 /nfs/dbraw/zinc/10/69/22/1076106922.db2.gz SZCVCLJFCCEYCH-UHFFFAOYSA-N -1 3 313.324 2.130 20 30 DEEDHM N#Cc1cccc2c1CN(c1c(C#N)cccc1-c1nnn[n-]1)C2 ZINC001581875913 1076107264 /nfs/dbraw/zinc/10/72/64/1076107264.db2.gz XAFSNADYGQYJNR-UHFFFAOYSA-N -1 3 313.324 2.130 20 30 DEEDHM N#Cc1cccc2c1CN(c1c(C#N)cccc1-c1nn[n-]n1)C2 ZINC001581875913 1076107266 /nfs/dbraw/zinc/10/72/66/1076107266.db2.gz XAFSNADYGQYJNR-UHFFFAOYSA-N -1 3 313.324 2.130 20 30 DEEDHM C=CC(C)(C)C(=O)NC[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001582822463 1076190339 /nfs/dbraw/zinc/19/03/39/1076190339.db2.gz IYSHAFDDPCVYED-LBPRGKRZSA-N -1 3 304.390 2.087 20 30 DEEDHM C#C[C@H](CCC)NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001588327806 1076439750 /nfs/dbraw/zinc/43/97/50/1076439750.db2.gz RBQIJVVTSGOWLN-MRVPVSSYSA-N -1 3 320.303 2.068 20 30 DEEDHM C#C[C@H](CCC)NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001588327806 1076439751 /nfs/dbraw/zinc/43/97/51/1076439751.db2.gz RBQIJVVTSGOWLN-MRVPVSSYSA-N -1 3 320.303 2.068 20 30 DEEDHM C#CCCCCCC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588345317 1076441875 /nfs/dbraw/zinc/44/18/75/1076441875.db2.gz ZBGRUYSOEMXNHR-UHFFFAOYSA-N -1 3 309.373 2.293 20 30 DEEDHM C#CCCCCCC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588345317 1076441878 /nfs/dbraw/zinc/44/18/78/1076441878.db2.gz ZBGRUYSOEMXNHR-UHFFFAOYSA-N -1 3 309.373 2.293 20 30 DEEDHM C#CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588335392 1076442117 /nfs/dbraw/zinc/44/21/17/1076442117.db2.gz LMRRLNYGLGTKIE-GFCCVEGCSA-N -1 3 310.361 2.134 20 30 DEEDHM C#CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588335392 1076442119 /nfs/dbraw/zinc/44/21/19/1076442119.db2.gz LMRRLNYGLGTKIE-GFCCVEGCSA-N -1 3 310.361 2.134 20 30 DEEDHM C#CC[C@H]1CCCN(C(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)C1 ZINC001588335689 1076442629 /nfs/dbraw/zinc/44/26/29/1076442629.db2.gz UYWGNEPROSQIGH-ZDUSSCGKSA-N -1 3 324.388 2.442 20 30 DEEDHM C#CC[C@H]1CCCN(C(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)C1 ZINC001588335689 1076442631 /nfs/dbraw/zinc/44/26/31/1076442631.db2.gz UYWGNEPROSQIGH-ZDUSSCGKSA-N -1 3 324.388 2.442 20 30 DEEDHM C#CCCCCNc1c(-c2nnn[n-]2)cnc2ccc(OC)cc21 ZINC001588345597 1076443619 /nfs/dbraw/zinc/44/36/19/1076443619.db2.gz GHASSSWHJOJJPC-UHFFFAOYSA-N -1 3 322.372 2.061 20 30 DEEDHM C#CCCCCNc1c(-c2nn[n-]n2)cnc2ccc(OC)cc21 ZINC001588345597 1076443620 /nfs/dbraw/zinc/44/36/20/1076443620.db2.gz GHASSSWHJOJJPC-UHFFFAOYSA-N -1 3 322.372 2.061 20 30 DEEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1nc2c(s1)CCC2 ZINC001588381605 1076445469 /nfs/dbraw/zinc/44/54/69/1076445469.db2.gz KQTMWYZBQSJZOB-UHFFFAOYSA-N -1 3 311.374 2.258 20 30 DEEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1nc2c(s1)CCC2 ZINC001588381605 1076445471 /nfs/dbraw/zinc/44/54/71/1076445471.db2.gz KQTMWYZBQSJZOB-UHFFFAOYSA-N -1 3 311.374 2.258 20 30 DEEDHM C=C(C)COCC[NH2+][C@@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001588429066 1076447664 /nfs/dbraw/zinc/44/76/64/1076447664.db2.gz NOMOEJJELOQYMP-AWEZNQCLSA-N -1 3 317.393 2.206 20 30 DEEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1nc2ccccn2c1-c1nnn[n-]1 ZINC001588456369 1076449459 /nfs/dbraw/zinc/44/94/59/1076449459.db2.gz LYKKSQLOBMKORT-TXEJJXNPSA-N -1 3 307.361 2.202 20 30 DEEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1nc2ccccn2c1-c1nn[n-]n1 ZINC001588456369 1076449460 /nfs/dbraw/zinc/44/94/60/1076449460.db2.gz LYKKSQLOBMKORT-TXEJJXNPSA-N -1 3 307.361 2.202 20 30 DEEDHM C=C1CCC(CNC(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC001588462886 1076449695 /nfs/dbraw/zinc/44/96/95/1076449695.db2.gz XAJDMKQNFVPAKK-UHFFFAOYSA-N -1 3 303.391 2.404 20 30 DEEDHM C=C1CCC(CNC(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC001588462886 1076449701 /nfs/dbraw/zinc/44/97/01/1076449701.db2.gz XAJDMKQNFVPAKK-UHFFFAOYSA-N -1 3 303.391 2.404 20 30 DEEDHM C=CCC(C)(C)C(=O)Oc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588539789 1076452333 /nfs/dbraw/zinc/45/23/33/1076452333.db2.gz ZPULKLDVFRXNPW-UHFFFAOYSA-N -1 3 302.334 2.383 20 30 DEEDHM C=CCC(C)(C)C(=O)Oc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588539789 1076452338 /nfs/dbraw/zinc/45/23/38/1076452338.db2.gz ZPULKLDVFRXNPW-UHFFFAOYSA-N -1 3 302.334 2.383 20 30 DEEDHM C=CC[C@H]1CCN1C(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588564568 1076454769 /nfs/dbraw/zinc/45/47/69/1076454769.db2.gz ONFHLNMEDOQJFG-AWEZNQCLSA-N -1 3 311.389 2.203 20 30 DEEDHM C=CC[C@H]1CCN1C(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588564568 1076454771 /nfs/dbraw/zinc/45/47/71/1076454771.db2.gz ONFHLNMEDOQJFG-AWEZNQCLSA-N -1 3 311.389 2.203 20 30 DEEDHM C=CC[C@@H]1CCN(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588563773 1076454845 /nfs/dbraw/zinc/45/48/45/1076454845.db2.gz AVNFUBICIXUWAI-CQSZACIVSA-N -1 3 311.389 2.224 20 30 DEEDHM C=CC[C@@H]1CCN(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588563773 1076454847 /nfs/dbraw/zinc/45/48/47/1076454847.db2.gz AVNFUBICIXUWAI-CQSZACIVSA-N -1 3 311.389 2.224 20 30 DEEDHM C=CC[C@@H]1CCN1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588564061 1076455293 /nfs/dbraw/zinc/45/52/93/1076455293.db2.gz ILDKXAQYJDNDKJ-SNVBAGLBSA-N -1 3 302.313 2.188 20 30 DEEDHM C=CC[C@@H]1CCN1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588564061 1076455298 /nfs/dbraw/zinc/45/52/98/1076455298.db2.gz ILDKXAQYJDNDKJ-SNVBAGLBSA-N -1 3 302.313 2.188 20 30 DEEDHM C=CCCC(C)(C)CNC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001588576654 1076455396 /nfs/dbraw/zinc/45/53/96/1076455396.db2.gz ZTBLAQPKEQUNTQ-UHFFFAOYSA-N -1 3 302.382 2.225 20 30 DEEDHM C=CCCC(C)(C)CNC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001588576654 1076455397 /nfs/dbraw/zinc/45/53/97/1076455397.db2.gz ZTBLAQPKEQUNTQ-UHFFFAOYSA-N -1 3 302.382 2.225 20 30 DEEDHM C=CCN(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC001588626939 1076458707 /nfs/dbraw/zinc/45/87/07/1076458707.db2.gz WMGUZPMAEJDOCP-UHFFFAOYSA-N -1 3 308.183 2.247 20 30 DEEDHM C=CCN(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC001588626939 1076458709 /nfs/dbraw/zinc/45/87/09/1076458709.db2.gz WMGUZPMAEJDOCP-UHFFFAOYSA-N -1 3 308.183 2.247 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccoc1 ZINC001588639724 1076459615 /nfs/dbraw/zinc/45/96/15/1076459615.db2.gz FOWKMLIOPKPJNV-UHFFFAOYSA-N -1 3 323.356 2.217 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccoc1 ZINC001588639724 1076459619 /nfs/dbraw/zinc/45/96/19/1076459619.db2.gz FOWKMLIOPKPJNV-UHFFFAOYSA-N -1 3 323.356 2.217 20 30 DEEDHM C=CCSCCNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588695192 1076461464 /nfs/dbraw/zinc/46/14/64/1076461464.db2.gz QVEOEUNFRQCOTP-UHFFFAOYSA-N -1 3 306.351 2.106 20 30 DEEDHM C=CCSCCNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588695192 1076461467 /nfs/dbraw/zinc/46/14/67/1076461467.db2.gz QVEOEUNFRQCOTP-UHFFFAOYSA-N -1 3 306.351 2.106 20 30 DEEDHM CC(N=Nc1ccc([N+](=O)[O-])cn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588780848 1076465389 /nfs/dbraw/zinc/46/53/89/1076465389.db2.gz QMGCFEKLBVPGGZ-UHFFFAOYSA-N -1 3 324.304 2.006 20 30 DEEDHM CC(N=Nc1ccc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588780848 1076465394 /nfs/dbraw/zinc/46/53/94/1076465394.db2.gz QMGCFEKLBVPGGZ-UHFFFAOYSA-N -1 3 324.304 2.006 20 30 DEEDHM CC(C)(C)C#CC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589071658 1076473496 /nfs/dbraw/zinc/47/34/96/1076473496.db2.gz MGGHRBPKXWGKJY-UHFFFAOYSA-N -1 3 317.780 2.186 20 30 DEEDHM CC(C)(C)C#CC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589071658 1076473498 /nfs/dbraw/zinc/47/34/98/1076473498.db2.gz MGGHRBPKXWGKJY-UHFFFAOYSA-N -1 3 317.780 2.186 20 30 DEEDHM CC(C)(CCC#N)CNc1ccc(-c2nn[n-]n2)cc1CO ZINC001589272447 1076483720 /nfs/dbraw/zinc/48/37/20/1076483720.db2.gz MIKOJSGXNKMBFJ-UHFFFAOYSA-N -1 3 300.366 2.101 20 30 DEEDHM CC(C)C#CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001589380264 1076488232 /nfs/dbraw/zinc/48/82/32/1076488232.db2.gz QZSAYFAMNHZRBB-UHFFFAOYSA-N -1 3 309.373 2.017 20 30 DEEDHM CC(C)C#CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001589380264 1076488235 /nfs/dbraw/zinc/48/82/35/1076488235.db2.gz QZSAYFAMNHZRBB-UHFFFAOYSA-N -1 3 309.373 2.017 20 30 DEEDHM C[C@@](O)(CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccc1 ZINC001589990512 1076542815 /nfs/dbraw/zinc/54/28/15/1076542815.db2.gz KEICXVFAHDTQIW-QGZVFWFLSA-N -1 3 320.356 2.058 20 30 DEEDHM C[C@@](O)(CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccc1 ZINC001589990512 1076542816 /nfs/dbraw/zinc/54/28/16/1076542816.db2.gz KEICXVFAHDTQIW-QGZVFWFLSA-N -1 3 320.356 2.058 20 30 DEEDHM CC1(C)CC[C@@H](Sc2nc(N)c(-c3nnn[n-]3)cc2C#N)C1 ZINC001590089917 1076560859 /nfs/dbraw/zinc/56/08/59/1076560859.db2.gz BBWDUIUSWCGBBT-SECBINFHSA-N -1 3 315.406 2.386 20 30 DEEDHM CC1(C)CC[C@@H](Sc2nc(N)c(-c3nn[n-]n3)cc2C#N)C1 ZINC001590089917 1076560861 /nfs/dbraw/zinc/56/08/61/1076560861.db2.gz BBWDUIUSWCGBBT-SECBINFHSA-N -1 3 315.406 2.386 20 30 DEEDHM C[C@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCO[C@@H]1C1CC1 ZINC001590133430 1076570109 /nfs/dbraw/zinc/57/01/09/1076570109.db2.gz CHWCXNBKYGECNF-NVXWUHKLSA-N -1 3 324.388 2.355 20 30 DEEDHM C[C@]1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCO[C@@H]1C1CC1 ZINC001590133430 1076570120 /nfs/dbraw/zinc/57/01/20/1076570120.db2.gz CHWCXNBKYGECNF-NVXWUHKLSA-N -1 3 324.388 2.355 20 30 DEEDHM C[C@@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCO[C@H]1C1CC1 ZINC001590133431 1076570630 /nfs/dbraw/zinc/57/06/30/1076570630.db2.gz CHWCXNBKYGECNF-RDJZCZTQSA-N -1 3 324.388 2.355 20 30 DEEDHM C[C@@]1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCO[C@H]1C1CC1 ZINC001590133431 1076570631 /nfs/dbraw/zinc/57/06/31/1076570631.db2.gz CHWCXNBKYGECNF-RDJZCZTQSA-N -1 3 324.388 2.355 20 30 DEEDHM CCN(C(=O)[C@H](C)CC#N)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001590667281 1076665841 /nfs/dbraw/zinc/66/58/41/1076665841.db2.gz WIRKDHXYVMETBR-SECBINFHSA-N -1 3 318.768 2.423 20 30 DEEDHM CCN(C(=O)[C@H](C)CC#N)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001590667281 1076665843 /nfs/dbraw/zinc/66/58/43/1076665843.db2.gz WIRKDHXYVMETBR-SECBINFHSA-N -1 3 318.768 2.423 20 30 DEEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001590683090 1076667586 /nfs/dbraw/zinc/66/75/86/1076667586.db2.gz UNMLXIGQKOVIMJ-JTQLQIEISA-N -1 3 312.377 2.105 20 30 DEEDHM CCN(C[C@@H](C)C#N)C(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001590683090 1076667587 /nfs/dbraw/zinc/66/75/87/1076667587.db2.gz UNMLXIGQKOVIMJ-JTQLQIEISA-N -1 3 312.377 2.105 20 30 DEEDHM CN(C(=O)c1cccc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001590995214 1076701248 /nfs/dbraw/zinc/70/12/48/1076701248.db2.gz ZPNUYWLZLSWKCR-UHFFFAOYSA-N -1 3 304.313 2.015 20 30 DEEDHM CN(C(=O)c1cccc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590995214 1076701251 /nfs/dbraw/zinc/70/12/51/1076701251.db2.gz ZPNUYWLZLSWKCR-UHFFFAOYSA-N -1 3 304.313 2.015 20 30 DEEDHM CO[C@H]1C[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C12CCC2 ZINC001591348231 1076730407 /nfs/dbraw/zinc/73/04/07/1076730407.db2.gz KMYPENQWHYHHFG-OLZOCXBDSA-N -1 3 310.361 2.108 20 30 DEEDHM CO[C@H]1C[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C12CCC2 ZINC001591348231 1076730409 /nfs/dbraw/zinc/73/04/09/1076730409.db2.gz KMYPENQWHYHHFG-OLZOCXBDSA-N -1 3 310.361 2.108 20 30 DEEDHM COc1cc(C=NN[C@@H]2CCCC2(C)C)ccc1-c1nnn[n-]1 ZINC001591522173 1076753932 /nfs/dbraw/zinc/75/39/32/1076753932.db2.gz CAIMZUNAEXVAAC-CQSZACIVSA-N -1 3 314.393 2.378 20 30 DEEDHM COc1cc(C=NN[C@@H]2CCCC2(C)C)ccc1-c1nn[n-]n1 ZINC001591522173 1076753936 /nfs/dbraw/zinc/75/39/36/1076753936.db2.gz CAIMZUNAEXVAAC-CQSZACIVSA-N -1 3 314.393 2.378 20 30 DEEDHM COc1ccc(NC(=O)CCCCCC#N)cc1-c1nnn[n-]1 ZINC001591608892 1076764045 /nfs/dbraw/zinc/76/40/45/1076764045.db2.gz MOUOMBBDGPGLRF-UHFFFAOYSA-N -1 3 314.349 2.288 20 30 DEEDHM COc1ccc(NC(=O)CCCCCC#N)cc1-c1nn[n-]n1 ZINC001591608892 1076764047 /nfs/dbraw/zinc/76/40/47/1076764047.db2.gz MOUOMBBDGPGLRF-UHFFFAOYSA-N -1 3 314.349 2.288 20 30 DEEDHM COc1ccc(O)c(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC001591618082 1076766513 /nfs/dbraw/zinc/76/65/13/1076766513.db2.gz BVGPWNZBWXJZGI-UHFFFAOYSA-N -1 3 310.317 2.027 20 30 DEEDHM COc1ccc(O)c(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC001591618082 1076766515 /nfs/dbraw/zinc/76/65/15/1076766515.db2.gz BVGPWNZBWXJZGI-UHFFFAOYSA-N -1 3 310.317 2.027 20 30 DEEDHM COc1cccc(O)c1C=NCc1ccc(-c2nn[n-]n2)cc1 ZINC001591641549 1076768404 /nfs/dbraw/zinc/76/84/04/1076768404.db2.gz IACDEBGUHWJSGM-YVLHZVERSA-N -1 3 309.329 2.200 20 30 DEEDHM Cc1c(C(=O)N(C2CC2)C2(C#N)CCC2)cccc1-c1nnn[n-]1 ZINC001591801006 1076786421 /nfs/dbraw/zinc/78/64/21/1076786421.db2.gz DDNLCADVLUOJNK-UHFFFAOYSA-N -1 3 322.372 2.226 20 30 DEEDHM Cc1c(C(=O)N(C2CC2)C2(C#N)CCC2)cccc1-c1nn[n-]n1 ZINC001591801006 1076786423 /nfs/dbraw/zinc/78/64/23/1076786423.db2.gz DDNLCADVLUOJNK-UHFFFAOYSA-N -1 3 322.372 2.226 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC001591862756 1076797832 /nfs/dbraw/zinc/79/78/32/1076797832.db2.gz FDVHJLVPRREYJC-AAEUAGOBSA-N -1 3 311.345 2.414 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC001591862756 1076797836 /nfs/dbraw/zinc/79/78/36/1076797836.db2.gz FDVHJLVPRREYJC-AAEUAGOBSA-N -1 3 311.345 2.414 20 30 DEEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(C)c2)n(C)n1 ZINC001591907045 1076805725 /nfs/dbraw/zinc/80/57/25/1076805725.db2.gz XMELGRGEYLJLCW-FNORWQNLSA-N -1 3 308.345 2.113 20 30 DEEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(C)c2)n(C)n1 ZINC001591907045 1076805732 /nfs/dbraw/zinc/80/57/32/1076805732.db2.gz XMELGRGEYLJLCW-FNORWQNLSA-N -1 3 308.345 2.113 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)c(NCc2cccc(OCC#N)c2)n1 ZINC001592091888 1076844955 /nfs/dbraw/zinc/84/49/55/1076844955.db2.gz FZVPHJPRKPTWDM-UHFFFAOYSA-N -1 3 321.344 2.085 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)c(NCc2cccc(OCC#N)c2)n1 ZINC001592091888 1076844956 /nfs/dbraw/zinc/84/49/56/1076844956.db2.gz FZVPHJPRKPTWDM-UHFFFAOYSA-N -1 3 321.344 2.085 20 30 DEEDHM FC1(F)CC[C@@H](C=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592630530 1076936372 /nfs/dbraw/zinc/93/63/72/1076936372.db2.gz NQRZCFOPLQTJFW-LLVKDONJSA-N -1 3 306.320 2.378 20 30 DEEDHM FC1(F)CC[C@@H](C=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592630530 1076936376 /nfs/dbraw/zinc/93/63/76/1076936376.db2.gz NQRZCFOPLQTJFW-LLVKDONJSA-N -1 3 306.320 2.378 20 30 DEEDHM N#C[C@@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC001592672220 1076948949 /nfs/dbraw/zinc/94/89/49/1076948949.db2.gz DZMQSWYVBFJQTJ-NSHDSACASA-N -1 3 305.345 2.155 20 30 DEEDHM N#C[C@@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC001592672220 1076948951 /nfs/dbraw/zinc/94/89/51/1076948951.db2.gz DZMQSWYVBFJQTJ-NSHDSACASA-N -1 3 305.345 2.155 20 30 DEEDHM N#CC1(CN[C@H](c2cccc(-c3nnn[n-]3)c2)C(F)(F)F)CC1 ZINC001592669419 1076949397 /nfs/dbraw/zinc/94/93/97/1076949397.db2.gz ICNXFLICCGXSKG-LLVKDONJSA-N -1 3 322.294 2.363 20 30 DEEDHM N#CC1(CN[C@H](c2cccc(-c3nn[n-]n3)c2)C(F)(F)F)CC1 ZINC001592669419 1076949402 /nfs/dbraw/zinc/94/94/02/1076949402.db2.gz ICNXFLICCGXSKG-LLVKDONJSA-N -1 3 322.294 2.363 20 30 DEEDHM N#C[C@H]1CCC[C@H](OC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC001592672951 1076950562 /nfs/dbraw/zinc/95/05/62/1076950562.db2.gz RHADABWOYWWBED-IUCAKERBSA-N -1 3 303.347 2.167 20 30 DEEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC001592672949 1076950908 /nfs/dbraw/zinc/95/09/08/1076950908.db2.gz RHADABWOYWWBED-BDAKNGLRSA-N -1 3 303.347 2.167 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2sccc2C1 ZINC001592699040 1076954356 /nfs/dbraw/zinc/95/43/56/1076954356.db2.gz NTXMIMOYYBNGJO-UHFFFAOYSA-N -1 3 308.370 2.363 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2sccc2C1 ZINC001592699040 1076954358 /nfs/dbraw/zinc/95/43/58/1076954358.db2.gz NTXMIMOYYBNGJO-UHFFFAOYSA-N -1 3 308.370 2.363 20 30 DEEDHM N#Cc1cccc([N+](=O)[O-])c1NCc1cccc(-c2nnn[n-]2)c1 ZINC001592702973 1076955389 /nfs/dbraw/zinc/95/53/89/1076955389.db2.gz BSYNTNMOMLYVQR-UHFFFAOYSA-N -1 3 321.300 2.259 20 30 DEEDHM N#Cc1cccc([N+](=O)[O-])c1NCc1cccc(-c2nn[n-]n2)c1 ZINC001592702973 1076955393 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C=CCC(F)(F)C(=O)OCCc1ccc(-c2nn[n-]n2)cc1 ZINC001602816144 1069763423 /nfs/dbraw/zinc/76/34/23/1069763423.db2.gz JJUBHARHQYKMOM-UHFFFAOYSA-N -1 3 308.288 2.164 20 30 DEEDHM C=CCN(CCOC)c1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001602852707 1069778592 /nfs/dbraw/zinc/77/85/92/1069778592.db2.gz ZZZBXGFMWSVKBC-UHFFFAOYSA-N -1 3 316.409 2.198 20 30 DEEDHM C=CCN(CCOC)c1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001602852707 1069778601 /nfs/dbraw/zinc/77/86/01/1069778601.db2.gz ZZZBXGFMWSVKBC-UHFFFAOYSA-N -1 3 316.409 2.198 20 30 DEEDHM C=CCO[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001602866516 1069783732 /nfs/dbraw/zinc/78/37/32/1069783732.db2.gz COIRPMPPNWENNL-NSHDSACASA-N -1 3 305.769 2.301 20 30 DEEDHM C=CCO[C@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001602866516 1069783740 /nfs/dbraw/zinc/78/37/40/1069783740.db2.gz COIRPMPPNWENNL-NSHDSACASA-N -1 3 305.769 2.301 20 30 DEEDHM C=CCCC[C@@H](NC(=O)C[C@@H]1NCc2ccccc21)C(=O)[O-] ZINC001602863071 1069781321 /nfs/dbraw/zinc/78/13/21/1069781321.db2.gz 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/nfs/dbraw/zinc/82/62/82/1069826282.db2.gz JWHJITITUSGDIA-LLVKDONJSA-N -1 3 303.391 2.071 20 30 DEEDHM CC(C)(C#N)COC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001603034825 1069835622 /nfs/dbraw/zinc/83/56/22/1069835622.db2.gz TVDYBCICIUWPRO-QWHCGFSZSA-N -1 3 311.345 2.063 20 30 DEEDHM CC(C)(C#N)COC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001603034825 1069835643 /nfs/dbraw/zinc/83/56/43/1069835643.db2.gz TVDYBCICIUWPRO-QWHCGFSZSA-N -1 3 311.345 2.063 20 30 DEEDHM CC(C)(C)n1cc(C=CC(=O)c2ccccc2-c2nnn[n-]2)nn1 ZINC001603130457 1069881835 /nfs/dbraw/zinc/88/18/35/1069881835.db2.gz ICVQSFLMOPHZKR-CMDGGOBGSA-N -1 3 323.360 2.109 20 30 DEEDHM CC(C)(C)n1cc(C=CC(=O)c2ccccc2-c2nn[n-]n2)nn1 ZINC001603130457 1069881855 /nfs/dbraw/zinc/88/18/55/1069881855.db2.gz ICVQSFLMOPHZKR-CMDGGOBGSA-N -1 3 323.360 2.109 20 30 DEEDHM CC(C)(CC#N)CNC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001603135342 1069885282 /nfs/dbraw/zinc/88/52/82/1069885282.db2.gz MHHBSEURNMDBTG-UHFFFAOYSA-N -1 3 323.360 2.018 20 30 DEEDHM CC(C)(CC#N)CNC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001603135342 1069885302 /nfs/dbraw/zinc/88/53/02/1069885302.db2.gz MHHBSEURNMDBTG-UHFFFAOYSA-N -1 3 323.360 2.018 20 30 DEEDHM CC(C)OCCON=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC001603354441 1069954980 /nfs/dbraw/zinc/95/49/80/1069954980.db2.gz QDASLFUSQGWLQT-UHFFFAOYSA-N -1 3 314.349 2.124 20 30 DEEDHM CC(C)OCCON=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC001603354441 1069954985 /nfs/dbraw/zinc/95/49/85/1069954985.db2.gz QDASLFUSQGWLQT-UHFFFAOYSA-N -1 3 314.349 2.124 20 30 DEEDHM C[C@@H](NN=C1CCc2ccc(-c3nnn[n-]3)cc21)C(F)(F)F ZINC001603671205 1070035641 /nfs/dbraw/zinc/03/56/41/1070035641.db2.gz AYBHTTBVCMQELL-SSDOTTSWSA-N -1 3 310.283 2.057 20 30 DEEDHM C[C@@H](NN=C1CCc2ccc(-c3nn[n-]n3)cc21)C(F)(F)F ZINC001603671205 1070035656 /nfs/dbraw/zinc/03/56/56/1070035656.db2.gz AYBHTTBVCMQELL-SSDOTTSWSA-N -1 3 310.283 2.057 20 30 DEEDHM CCC(C)(C)OC1CN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001603984817 1070165308 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MOULDRCAFNOITQ-UHFFFAOYSA-N -1 3 317.356 2.234 20 30 DEEDHM N#Cc1ccc(NC(=O)c2ccc(F)cc2)cc1-c1nnn[n-]1 ZINC001606377122 1071135168 /nfs/dbraw/zinc/13/51/68/1071135168.db2.gz CHDFXAMNCOOVBD-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM N#Cc1ccc(NC(=O)c2ccc(F)cc2)cc1-c1nn[n-]n1 ZINC001606377122 1071135175 /nfs/dbraw/zinc/13/51/75/1071135175.db2.gz CHDFXAMNCOOVBD-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM N#Cc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001606377819 1071135524 /nfs/dbraw/zinc/13/55/24/1071135524.db2.gz QQCWSHZYKWRBLS-UHFFFAOYSA-N -1 3 306.329 2.229 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1COc2ccccc21 ZINC001606379574 1071137081 /nfs/dbraw/zinc/13/70/81/1071137081.db2.gz DYGQSHIEOWVCIQ-LBPRGKRZSA-N -1 3 318.340 2.326 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1COc2ccccc21 ZINC001606379574 1071137082 /nfs/dbraw/zinc/13/70/82/1071137082.db2.gz DYGQSHIEOWVCIQ-LBPRGKRZSA-N -1 3 318.340 2.326 20 30 DEEDHM C=C[C@](C)(CC)C(=O)NC[C@H](C)CNC(=O)c1ccccc1[O-] ZINC001532118396 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N#Cc1ccsc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001535493483 1072108733 /nfs/dbraw/zinc/10/87/33/1072108733.db2.gz VXJSVQYMNRDLQM-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001493286744 1063696362 /nfs/dbraw/zinc/69/63/62/1063696362.db2.gz AJJLLRIDUSYMIF-ZDUSSCGKSA-N -1 3 316.401 2.325 20 30 DEEDHM N#Cc1ccc(NCCNCc2ccc([O-])c(F)c2F)nc1 ZINC001621538584 1078177079 /nfs/dbraw/zinc/17/70/79/1078177079.db2.gz NSYLYIWXMDECSW-UHFFFAOYSA-N -1 3 304.300 2.139 20 30 DEEDHM C=C(C)C[C@@H]([N-]S(=O)(=O)CCC(C)(C)CC)C(=O)OC ZINC001622450289 1078189523 /nfs/dbraw/zinc/18/95/23/1078189523.db2.gz NXIAZEDSFBAMQC-GFCCVEGCSA-N -1 3 305.440 2.240 20 30 DEEDHM C#Cc1ccc(CNC(=O)c2cc(NC(=O)C=C)ccc2[O-])cc1 ZINC001624428977 1078222294 /nfs/dbraw/zinc/22/22/94/1078222294.db2.gz QBPMSMTUYCNJJQ-UHFFFAOYSA-N -1 3 320.348 2.428 20 30 DEEDHM C=CCC(C)(C)C(=O)NCCCNC(=O)c1ccccc1[O-] ZINC001575709966 1066406912 /nfs/dbraw/zinc/40/69/12/1066406912.db2.gz AAGBGRWWXGSDLK-UHFFFAOYSA-N -1 3 304.390 2.231 20 30 DEEDHM C=CCCO[N-]C(=O)CCCNC(=O)OCc1ccccc1 ZINC001630753827 1078349015 /nfs/dbraw/zinc/34/90/15/1078349015.db2.gz SEMINNKCTYSMLO-UHFFFAOYSA-N -1 3 306.362 2.317 20 30 DEEDHM COc1cccc(C(=O)Nc2ccc(F)c(C#N)c2N)c1[O-] ZINC001631084908 1078356444 /nfs/dbraw/zinc/35/64/44/1078356444.db2.gz NYQIDHNHXMZDGD-UHFFFAOYSA-N -1 3 301.277 2.246 20 30 DEEDHM CN(C(=O)c1sccc1CC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001578952087 1067209633 /nfs/dbraw/zinc/20/96/33/1067209633.db2.gz TUHVSMUSJJRPIN-UHFFFAOYSA-N -1 3 324.369 2.271 20 30 DEEDHM CN(C(=O)c1sccc1CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001578952087 1067209635 /nfs/dbraw/zinc/20/96/35/1067209635.db2.gz TUHVSMUSJJRPIN-UHFFFAOYSA-N -1 3 324.369 2.271 20 30 DEEDHM O=C(c1nccn2ccnc12)N([O-])Cc1ccccc1Cl ZINC001639058979 1078592626 /nfs/dbraw/zinc/59/26/26/1078592626.db2.gz YJZWGTGZLUHOHN-UHFFFAOYSA-N -1 3 302.721 2.414 20 30 DEEDHM O=C(/C=C\c1cc(Cl)cc(Cl)c1)N[C@@H]1CCN([O-])C1=O ZINC001641378891 1078708178 /nfs/dbraw/zinc/70/81/78/1078708178.db2.gz IXYHKSLCRLNSRK-RFMOXSJOSA-N -1 3 315.156 2.113 20 30 DEEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](C)[C@H]1C ZINC001515692107 1068895351 /nfs/dbraw/zinc/89/53/51/1068895351.db2.gz ZYXGDWRPHZOFEC-WDEREUQCSA-N -1 3 303.366 2.450 20 30 DEEDHM CS(=O)(=O)[N-]c1cccc(F)c1CNc1cccc(C#N)n1 ZINC001645600173 1078932876 /nfs/dbraw/zinc/93/28/76/1078932876.db2.gz ASXKPUOCTGXRPN-UHFFFAOYSA-N -1 3 320.349 2.076 20 30 DEEDHM C#C[C@@H](NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1)C(C)(C)C ZINC001588329417 1076440308 /nfs/dbraw/zinc/44/03/08/1076440308.db2.gz GCGILLVSUXFYNE-GFCCVEGCSA-N -1 3 322.372 2.126 20 30 DEEDHM C#C[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588332996 1076440586 /nfs/dbraw/zinc/44/05/86/1076440586.db2.gz XMNSLNRZZBIBCV-NSHDSACASA-N -1 3 315.764 2.148 20 30 DEEDHM C#C[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588332996 1076440587 /nfs/dbraw/zinc/44/05/87/1076440587.db2.gz XMNSLNRZZBIBCV-NSHDSACASA-N -1 3 315.764 2.148 20 30 DEEDHM C#C[C@H]1CCCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001588332467 1076440641 /nfs/dbraw/zinc/44/06/41/1076440641.db2.gz KQVXMXWLCFUASV-NSHDSACASA-N -1 3 312.402 2.051 20 30 DEEDHM C#C[C@H]1CCCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001588332467 1076440643 /nfs/dbraw/zinc/44/06/43/1076440643.db2.gz KQVXMXWLCFUASV-NSHDSACASA-N -1 3 312.402 2.051 20 30 DEEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C(C)(C)C ZINC001588330227 1076440876 /nfs/dbraw/zinc/44/08/76/1076440876.db2.gz XOASLWWCTJPZQZ-CYBMUJFWSA-N -1 3 312.377 2.345 20 30 DEEDHM C#C[C@@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C(C)(C)C ZINC001588330227 1076440879 /nfs/dbraw/zinc/44/08/79/1076440879.db2.gz XOASLWWCTJPZQZ-CYBMUJFWSA-N -1 3 312.377 2.345 20 30 DEEDHM C#CCCCCCC(=O)Nc1cnc(Cl)cc1-c1nnn[n-]1 ZINC001588345072 1076442086 /nfs/dbraw/zinc/44/20/86/1076442086.db2.gz PCTUFDIDXAEKDJ-UHFFFAOYSA-N -1 3 318.768 2.437 20 30 DEEDHM C#CCCCCCC(=O)Nc1cnc(Cl)cc1-c1nn[n-]n1 ZINC001588345072 1076442088 /nfs/dbraw/zinc/44/20/88/1076442088.db2.gz PCTUFDIDXAEKDJ-UHFFFAOYSA-N -1 3 318.768 2.437 20 30 DEEDHM C#CC[C@@H](OC(=O)c1cc(-c2nnn[n-]2)[nH]c1C)C(C)(C)C ZINC001588334718 1076442452 /nfs/dbraw/zinc/44/24/52/1076442452.db2.gz HYDGWYXIVDOAQW-GFCCVEGCSA-N -1 3 301.350 2.098 20 30 DEEDHM C#CC[C@@H](OC(=O)c1cc(-c2nn[n-]n2)[nH]c1C)C(C)(C)C ZINC001588334718 1076442458 /nfs/dbraw/zinc/44/24/58/1076442458.db2.gz HYDGWYXIVDOAQW-GFCCVEGCSA-N -1 3 301.350 2.098 20 30 DEEDHM C#Cc1ccc(C(=O)O[C@H](C)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC001588373741 1076444257 /nfs/dbraw/zinc/44/42/57/1076444257.db2.gz RUKOVDRWDXYTQZ-LLVKDONJSA-N -1 3 319.324 2.161 20 30 DEEDHM C#Cc1ccc(C(=O)O[C@H](C)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC001588373741 1076444258 /nfs/dbraw/zinc/44/42/58/1076444258.db2.gz RUKOVDRWDXYTQZ-LLVKDONJSA-N -1 3 319.324 2.161 20 30 DEEDHM C#Cc1cccc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC001588375226 1076444329 /nfs/dbraw/zinc/44/43/29/1076444329.db2.gz LEIOSLUPASLOBY-UHFFFAOYSA-N -1 3 307.288 2.239 20 30 DEEDHM C#Cc1cccc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC001588375226 1076444332 /nfs/dbraw/zinc/44/43/32/1076444332.db2.gz LEIOSLUPASLOBY-UHFFFAOYSA-N -1 3 307.288 2.239 20 30 DEEDHM C=C(Br)CN1CCc2c1cccc2-c1nnn[n-]1 ZINC001588386698 1076445338 /nfs/dbraw/zinc/44/53/38/1076445338.db2.gz OLLVXUHIVIURLE-UHFFFAOYSA-N -1 3 306.167 2.138 20 30 DEEDHM C=C(Br)CN1CCc2c1cccc2-c1nn[n-]n1 ZINC001588386698 1076445341 /nfs/dbraw/zinc/44/53/41/1076445341.db2.gz OLLVXUHIVIURLE-UHFFFAOYSA-N -1 3 306.167 2.138 20 30 DEEDHM c1ccc2c(c1)cnnc2N=NCc1cccc(-c2nnn[n-]2)c1 ZINC001588384410 1076445841 /nfs/dbraw/zinc/44/58/41/1076445841.db2.gz MALROAWRIILYGW-UHFFFAOYSA-N -1 3 316.328 2.256 20 30 DEEDHM c1ccc2c(c1)cnnc2N=NCc1cccc(-c2nn[n-]n2)c1 ZINC001588384410 1076445847 /nfs/dbraw/zinc/44/58/47/1076445847.db2.gz MALROAWRIILYGW-UHFFFAOYSA-N -1 3 316.328 2.256 20 30 DEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001588401295 1076446547 /nfs/dbraw/zinc/44/65/47/1076446547.db2.gz PBIWJJXOKYGOMI-GXTWGEPZSA-N -1 3 314.393 2.272 20 30 DEEDHM C=C(C)[C@H]1OCC[C@H]1CNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001588401295 1076446548 /nfs/dbraw/zinc/44/65/48/1076446548.db2.gz PBIWJJXOKYGOMI-GXTWGEPZSA-N -1 3 314.393 2.272 20 30 DEEDHM C=C(C)CC[C@@H](C)OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588419807 1076447195 /nfs/dbraw/zinc/44/71/95/1076447195.db2.gz UJQSNWJRBKQYTK-LLVKDONJSA-N -1 3 301.350 2.472 20 30 DEEDHM C=C(C)CC[C@@H](C)OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588419807 1076447199 /nfs/dbraw/zinc/44/71/99/1076447199.db2.gz UJQSNWJRBKQYTK-LLVKDONJSA-N -1 3 301.350 2.472 20 30 DEEDHM C=C(CC)CNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588442288 1076448309 /nfs/dbraw/zinc/44/83/09/1076448309.db2.gz MGDPTXNLKQFWEX-NSHDSACASA-N -1 3 300.366 2.193 20 30 DEEDHM C=C(CC)CNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588442288 1076448312 /nfs/dbraw/zinc/44/83/12/1076448312.db2.gz MGDPTXNLKQFWEX-NSHDSACASA-N -1 3 300.366 2.193 20 30 DEEDHM C=C(CNC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1 ZINC001588444284 1076448361 /nfs/dbraw/zinc/44/83/61/1076448361.db2.gz VDARHELWFDNQHC-UHFFFAOYSA-N -1 3 311.370 2.371 20 30 DEEDHM C=C(CNC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1 ZINC001588444284 1076448364 /nfs/dbraw/zinc/44/83/64/1076448364.db2.gz VDARHELWFDNQHC-UHFFFAOYSA-N -1 3 311.370 2.371 20 30 DEEDHM C=C(CC)CNC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588442902 1076448495 /nfs/dbraw/zinc/44/84/95/1076448495.db2.gz SHGUMZITGQBNGG-LLVKDONJSA-N -1 3 300.366 2.193 20 30 DEEDHM C=C(CC)CNC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588442902 1076448497 /nfs/dbraw/zinc/44/84/97/1076448497.db2.gz SHGUMZITGQBNGG-LLVKDONJSA-N -1 3 300.366 2.193 20 30 DEEDHM C=C(C)CNC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588431237 1076448618 /nfs/dbraw/zinc/44/86/18/1076448618.db2.gz XOOFHLSCPIRXSF-LLVKDONJSA-N -1 3 300.366 2.145 20 30 DEEDHM C=C(C)CNC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588431237 1076448621 /nfs/dbraw/zinc/44/86/21/1076448621.db2.gz XOOFHLSCPIRXSF-LLVKDONJSA-N -1 3 300.366 2.145 20 30 DEEDHM C=C(CNC(=O)c1csc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588443965 1076448795 /nfs/dbraw/zinc/44/87/95/1076448795.db2.gz CANKYWHOYOXNKA-UHFFFAOYSA-N -1 3 311.370 2.371 20 30 DEEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588594878 1076456008 /nfs/dbraw/zinc/45/60/08/1076456008.db2.gz VEVXMWNYJSAQRW-LLVKDONJSA-N -1 3 315.377 2.350 20 30 DEEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588594878 1076456013 /nfs/dbraw/zinc/45/60/13/1076456013.db2.gz VEVXMWNYJSAQRW-LLVKDONJSA-N -1 3 315.377 2.350 20 30 DEEDHM C=CCCCCNC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001588595955 1076456347 /nfs/dbraw/zinc/45/63/47/1076456347.db2.gz BOEGGJXATIOWRC-UHFFFAOYSA-N -1 3 306.757 2.001 20 30 DEEDHM C=CCCCCNC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588595955 1076456349 /nfs/dbraw/zinc/45/63/49/1076456349.db2.gz BOEGGJXATIOWRC-UHFFFAOYSA-N -1 3 306.757 2.001 20 30 DEEDHM C=CCCC[C@H](C)OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588594756 1076456433 /nfs/dbraw/zinc/45/64/33/1076456433.db2.gz SCVBKDVNZUADRD-NSHDSACASA-N -1 3 301.350 2.472 20 30 DEEDHM C=CCCC[C@H](C)OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588594756 1076456435 /nfs/dbraw/zinc/45/64/35/1076456435.db2.gz SCVBKDVNZUADRD-NSHDSACASA-N -1 3 301.350 2.472 20 30 DEEDHM C=CCCN(C)C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588603408 1076456874 /nfs/dbraw/zinc/45/68/74/1076456874.db2.gz MWFGLMNDHGMQKY-CQSZACIVSA-N -1 3 312.377 2.072 20 30 DEEDHM C=CCCN(C)C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588603408 1076456879 /nfs/dbraw/zinc/45/68/79/1076456879.db2.gz MWFGLMNDHGMQKY-CQSZACIVSA-N -1 3 312.377 2.072 20 30 DEEDHM C=CCCCCNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001588596646 1076456979 /nfs/dbraw/zinc/45/69/79/1076456979.db2.gz XPFDXXINRZQLBM-UHFFFAOYSA-N -1 3 307.304 2.231 20 30 DEEDHM C=CCCCCNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001588596646 1076456982 /nfs/dbraw/zinc/45/69/82/1076456982.db2.gz XPFDXXINRZQLBM-UHFFFAOYSA-N -1 3 307.304 2.231 20 30 DEEDHM C=CCCO[C@H](C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1CC ZINC001588610950 1076457490 /nfs/dbraw/zinc/45/74/90/1076457490.db2.gz OQQXACMSKFKRKX-LLVKDONJSA-N -1 3 316.361 2.316 20 30 DEEDHM C=CCCO[C@H](C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1CC ZINC001588610950 1076457493 /nfs/dbraw/zinc/45/74/93/1076457493.db2.gz OQQXACMSKFKRKX-LLVKDONJSA-N -1 3 316.361 2.316 20 30 DEEDHM C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC001588625578 1076458025 /nfs/dbraw/zinc/45/80/25/1076458025.db2.gz LCKKHLCFLDZBHA-LSDHHAIUSA-N -1 3 309.373 2.147 20 30 DEEDHM C=CCN(C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001588625578 1076458031 /nfs/dbraw/zinc/45/80/31/1076458031.db2.gz LCKKHLCFLDZBHA-LSDHHAIUSA-N -1 3 309.373 2.147 20 30 DEEDHM C=CCSCCNC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588689039 1076460364 /nfs/dbraw/zinc/46/03/64/1076460364.db2.gz VRWSRPSFMWBSGP-UHFFFAOYSA-N -1 3 317.418 2.133 20 30 DEEDHM C=CCSCCNC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588689039 1076460370 /nfs/dbraw/zinc/46/03/70/1076460370.db2.gz VRWSRPSFMWBSGP-UHFFFAOYSA-N -1 3 317.418 2.133 20 30 DEEDHM C=CCOc1ccccc1CNCc1ccc(-c2nnn[n-]2)cn1 ZINC001588689118 1076460485 /nfs/dbraw/zinc/46/04/85/1076460485.db2.gz YVXBQBVSAZUELN-UHFFFAOYSA-N -1 3 322.372 2.116 20 30 DEEDHM C=CCOc1ccccc1CNCc1ccc(-c2nn[n-]n2)cn1 ZINC001588689118 1076460488 /nfs/dbraw/zinc/46/04/88/1076460488.db2.gz YVXBQBVSAZUELN-UHFFFAOYSA-N -1 3 322.372 2.116 20 30 DEEDHM C=CCn1c(C)nnc1SCc1cccc(-c2nnn[n-]2)c1 ZINC001588702732 1076461701 /nfs/dbraw/zinc/46/17/01/1076461701.db2.gz DBWYSJFOIOPUOC-UHFFFAOYSA-N -1 3 313.390 2.245 20 30 DEEDHM C=CCn1c(C)nnc1SCc1cccc(-c2nn[n-]n2)c1 ZINC001588702732 1076461702 /nfs/dbraw/zinc/46/17/02/1076461702.db2.gz DBWYSJFOIOPUOC-UHFFFAOYSA-N -1 3 313.390 2.245 20 30 DEEDHM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588776228 1076464224 /nfs/dbraw/zinc/46/42/24/1076464224.db2.gz FKXWYNHWWOXWMG-QHBPRCKVSA-N -1 3 314.393 2.136 20 30 DEEDHM CC(=NN[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588776228 1076464226 /nfs/dbraw/zinc/46/42/26/1076464226.db2.gz 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/nfs/dbraw/zinc/47/63/17/1076476317.db2.gz URHZIUYQABZWKW-UHFFFAOYSA-N -1 3 303.345 2.167 20 30 DEEDHM CC(C)n1nccc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001589785727 1076515419 /nfs/dbraw/zinc/51/54/19/1076515419.db2.gz VTRSDIIGQPKZOO-JYRVWZFOSA-N -1 3 320.356 2.467 20 30 DEEDHM CC(C)n1nccc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001589785727 1076515421 /nfs/dbraw/zinc/51/54/21/1076515421.db2.gz VTRSDIIGQPKZOO-JYRVWZFOSA-N -1 3 320.356 2.467 20 30 DEEDHM C[C@@H](CC#N)NCc1ccc(Br)cc1-c1nn[n-]n1 ZINC001589787817 1076515804 /nfs/dbraw/zinc/51/58/04/1076515804.db2.gz QAOYIRFIIDXLOJ-QMMMGPOBSA-N -1 3 321.182 2.021 20 30 DEEDHM C[C@@H](NC(=O)C1(C#N)CC2(CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589920059 1076530107 /nfs/dbraw/zinc/53/01/07/1076530107.db2.gz XHIZSDLYDLIGBP-LLVKDONJSA-N -1 3 322.372 2.128 20 30 DEEDHM C[C@@H](NC(=O)C1(C#N)CC2(CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589920059 1076530110 /nfs/dbraw/zinc/53/01/10/1076530110.db2.gz XHIZSDLYDLIGBP-LLVKDONJSA-N -1 3 322.372 2.128 20 30 DEEDHM 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ZINC000821426685 607254022 /nfs/dbraw/zinc/25/40/22/607254022.db2.gz GAFGLXUOABTKQC-UHFFFAOYSA-N -1 3 322.372 2.389 20 30 DEEDHM C=CCN1CCC(NC(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000817685793 597325996 /nfs/dbraw/zinc/32/59/96/597325996.db2.gz JMBVOCVQUGHFBC-UHFFFAOYSA-N -1 3 317.389 2.086 20 30 DEEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000737677037 598493601 /nfs/dbraw/zinc/49/36/01/598493601.db2.gz YTDHLNRRRUYQMX-AWEZNQCLSA-N -1 3 322.303 2.000 20 30 DEEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000737677037 598493603 /nfs/dbraw/zinc/49/36/03/598493603.db2.gz YTDHLNRRRUYQMX-AWEZNQCLSA-N -1 3 322.303 2.000 20 30 DEEDHM N#Cc1ccc(C(=O)COc2ccc(-c3nnn[n-]3)c(F)c2)cc1 ZINC000737710909 598547949 /nfs/dbraw/zinc/54/79/49/598547949.db2.gz WWZMBJOWUNEKBK-UHFFFAOYSA-N -1 3 323.287 2.139 20 30 DEEDHM N#Cc1ccc(C(=O)COc2ccc(-c3nn[n-]n3)c(F)c2)cc1 ZINC000737710909 598547951 /nfs/dbraw/zinc/54/79/51/598547951.db2.gz WWZMBJOWUNEKBK-UHFFFAOYSA-N -1 3 323.287 2.139 20 30 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3 317.356 2.302 20 30 DEEDHM N#Cc1ccc(CN(c2ncccc2-c2nnn[n-]2)C2CC2)cc1 ZINC000737713381 598816099 /nfs/dbraw/zinc/81/60/99/598816099.db2.gz XEAXRKBIQDACGC-UHFFFAOYSA-N -1 3 317.356 2.302 20 30 DEEDHM N#Cc1ccc(CN(c2ncccc2-c2nn[n-]n2)C2CC2)cc1 ZINC000737713381 598816100 /nfs/dbraw/zinc/81/61/00/598816100.db2.gz XEAXRKBIQDACGC-UHFFFAOYSA-N -1 3 317.356 2.302 20 30 DEEDHM CN(C(=O)c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736743023 599305310 /nfs/dbraw/zinc/30/53/10/599305310.db2.gz WXUBGUGHDVNTMY-UHFFFAOYSA-N -1 3 304.313 2.015 20 30 DEEDHM CN(C(=O)c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736743023 599305313 /nfs/dbraw/zinc/30/53/13/599305313.db2.gz WXUBGUGHDVNTMY-UHFFFAOYSA-N -1 3 304.313 2.015 20 30 DEEDHM CCN(C(=O)c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736509618 599310208 /nfs/dbraw/zinc/31/02/08/599310208.db2.gz YBFMSJDGVZUGNZ-UHFFFAOYSA-N -1 3 318.340 2.405 20 30 DEEDHM CCN(C(=O)c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736509618 599310211 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Cc1ccc([C@H](C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)o1 ZINC000822227511 599631343 /nfs/dbraw/zinc/63/13/43/599631343.db2.gz LOHFHYQFWIQMKV-JTQLQIEISA-N -1 3 322.328 2.382 20 30 DEEDHM CC(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736159868 600592119 /nfs/dbraw/zinc/59/21/19/600592119.db2.gz NZAZCVXRHQXUBZ-QGZVFWFLSA-N -1 3 323.352 2.432 20 30 DEEDHM C=CCCCN(C)[C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000825671319 600821775 /nfs/dbraw/zinc/82/17/75/600821775.db2.gz LYXLYYWRTYTSRD-LBPRGKRZSA-N -1 3 308.403 2.450 20 30 DEEDHM COc1ccc(CN(CC#N)C2CCCC2)cc1-c1nnn[n-]1 ZINC000826193474 607503388 /nfs/dbraw/zinc/50/33/88/607503388.db2.gz DZTYNVOIFPCHHY-UHFFFAOYSA-N -1 3 312.377 2.143 20 30 DEEDHM COc1ccc(CN(CC#N)C2CCCC2)cc1-c1nn[n-]n1 ZINC000826193474 607503389 /nfs/dbraw/zinc/50/33/89/607503389.db2.gz DZTYNVOIFPCHHY-UHFFFAOYSA-N -1 3 312.377 2.143 20 30 DEEDHM Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H](C)CN(C)C(=O)[O-])nc21 ZINC000830531961 603436810 /nfs/dbraw/zinc/43/68/10/603436810.db2.gz 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C[C@]1(C#N)CCCN(Cc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824777046 608125839 /nfs/dbraw/zinc/12/58/39/608125839.db2.gz HAZBFZPNTQLARK-OAHLLOKOSA-N -1 3 300.341 2.131 20 30 DEEDHM C=CCN(C(=S)Nc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823903540 608217546 /nfs/dbraw/zinc/21/75/46/608217546.db2.gz CKYZXSWHLQTJAY-UHFFFAOYSA-N -1 3 300.391 2.214 20 30 DEEDHM C=CCN(C(=S)Nc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823903540 608217547 /nfs/dbraw/zinc/21/75/47/608217547.db2.gz CKYZXSWHLQTJAY-UHFFFAOYSA-N -1 3 300.391 2.214 20 30 DEEDHM C=C(CC)COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000823878073 608318441 /nfs/dbraw/zinc/31/84/41/608318441.db2.gz NMVWIWWRKOVIIW-NSHDSACASA-N -1 3 302.334 2.143 20 30 DEEDHM C=C(CC)COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000823878073 608318443 /nfs/dbraw/zinc/31/84/43/608318443.db2.gz NMVWIWWRKOVIIW-NSHDSACASA-N -1 3 302.334 2.143 20 30 DEEDHM N#Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826384772 608435402 /nfs/dbraw/zinc/43/54/02/608435402.db2.gz JGAOWHPANMPAJT-UHFFFAOYSA-N -1 3 323.287 2.234 20 30 DEEDHM N#Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)cc1 ZINC000826384772 608435403 /nfs/dbraw/zinc/43/54/03/608435403.db2.gz JGAOWHPANMPAJT-UHFFFAOYSA-N -1 3 323.287 2.234 20 30 DEEDHM Oc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826510605 608536768 /nfs/dbraw/zinc/53/67/68/608536768.db2.gz ACBLFGYNDUKGDI-UHFFFAOYSA-N -1 3 315.724 2.067 20 30 DEEDHM Oc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826510605 608536769 /nfs/dbraw/zinc/53/67/69/608536769.db2.gz ACBLFGYNDUKGDI-UHFFFAOYSA-N -1 3 315.724 2.067 20 30 DEEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cccs2)n1 ZINC000826349956 608539217 /nfs/dbraw/zinc/53/92/17/608539217.db2.gz BDXWUQGBFGYUEX-UHFFFAOYSA-N -1 3 305.754 2.423 20 30 DEEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cccs2)n1 ZINC000826349956 608539218 /nfs/dbraw/zinc/53/92/18/608539218.db2.gz BDXWUQGBFGYUEX-UHFFFAOYSA-N -1 3 305.754 2.423 20 30 DEEDHM O=C(C=Cc1cncs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403441 609271173 /nfs/dbraw/zinc/27/11/73/609271173.db2.gz SCVHCGSZDHHOCB-DUXPYHPUSA-N -1 3 301.306 2.358 20 30 DEEDHM O=C(C=Cc1cncs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403441 609271174 /nfs/dbraw/zinc/27/11/74/609271174.db2.gz SCVHCGSZDHHOCB-DUXPYHPUSA-N -1 3 301.306 2.358 20 30 DEEDHM Fc1cc(-c2nnn[n-]2)ccc1CON=C1CCCOCC1 ZINC000826372129 609435696 /nfs/dbraw/zinc/43/56/96/609435696.db2.gz JAGPEFNMUYYHDB-UHFFFAOYSA-N -1 3 305.313 2.079 20 30 DEEDHM Fc1cc(-c2nn[n-]n2)ccc1CON=C1CCCOCC1 ZINC000826372129 609435699 /nfs/dbraw/zinc/43/56/99/609435699.db2.gz JAGPEFNMUYYHDB-UHFFFAOYSA-N -1 3 305.313 2.079 20 30 DEEDHM C=C(C)COCCNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000823878412 609576054 /nfs/dbraw/zinc/57/60/54/609576054.db2.gz YBDDLDBVGUVACR-UHFFFAOYSA-N -1 3 308.773 2.228 20 30 DEEDHM C=C(C)COCCNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000823878412 609576057 /nfs/dbraw/zinc/57/60/57/609576057.db2.gz YBDDLDBVGUVACR-UHFFFAOYSA-N -1 3 308.773 2.228 20 30 DEEDHM C[C@]1(C#N)CCCN(c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC000824779382 609600465 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C[C@@H](NC(=O)c1csc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001575355513 1066274608 /nfs/dbraw/zinc/27/46/08/1066274608.db2.gz HEBMJFQKKMUHLC-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM N#Cc1ccc(CCC(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC001631187710 1078359053 /nfs/dbraw/zinc/35/90/53/1078359053.db2.gz FUGVBMOICSQHGY-UHFFFAOYSA-N -1 3 318.340 2.310 20 30 DEEDHM N#Cc1ccc(CCC(=O)Nc2ccccc2-c2nn[n-]n2)cc1 ZINC001631187710 1078359058 /nfs/dbraw/zinc/35/90/58/1078359058.db2.gz FUGVBMOICSQHGY-UHFFFAOYSA-N -1 3 318.340 2.310 20 30 DEEDHM O=C(/C=C/c1ccc(F)cc1)C(=O)Nc1ccc(O)cc1[O-] ZINC001637010889 1078498802 /nfs/dbraw/zinc/49/88/02/1078498802.db2.gz CXLBWPOKKHKFEP-FPYGCLRLSA-N -1 3 301.273 2.458 20 30 DEEDHM C=C[C@H](C)O[N-]C(=O)c1ccc(=O)n(-c2cccc(F)c2)c1 ZINC001639678440 1078623755 /nfs/dbraw/zinc/62/37/55/1078623755.db2.gz ZNMJPQHCZRLFDS-NSHDSACASA-N -1 3 302.305 2.213 20 30 DEEDHM C=C(C)Cn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001515030704 1068829349 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C=CCCn1cc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)nn1 ZINC001585853337 1076374289 /nfs/dbraw/zinc/37/42/89/1076374289.db2.gz LHUFRDKFVALXMN-UHFFFAOYSA-N -1 3 319.296 2.462 20 30 DEEDHM C#C[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588325891 1076440231 /nfs/dbraw/zinc/44/02/31/1076440231.db2.gz YRXFPNIWKFNGHC-SSDOTTSWSA-N -1 3 324.157 2.226 20 30 DEEDHM C#C[C@@H](C)N(C)c1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588325891 1076440232 /nfs/dbraw/zinc/44/02/32/1076440232.db2.gz YRXFPNIWKFNGHC-SSDOTTSWSA-N -1 3 324.157 2.226 20 30 DEEDHM C#CCC1(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC001588334685 1076442035 /nfs/dbraw/zinc/44/20/35/1076442035.db2.gz GMKYRBSIUUGCOP-UHFFFAOYSA-N -1 3 323.400 2.457 20 30 DEEDHM C#CCC1(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC001588334685 1076442037 /nfs/dbraw/zinc/44/20/37/1076442037.db2.gz GMKYRBSIUUGCOP-UHFFFAOYSA-N -1 3 323.400 2.457 20 30 DEEDHM C#CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCCCC1 ZINC001588348606 1076443090 /nfs/dbraw/zinc/44/30/90/1076443090.db2.gz DFWCOCUTPBWYPK-UHFFFAOYSA-N -1 3 309.373 2.275 20 30 DEEDHM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCCCC1 ZINC001588348606 1076443091 /nfs/dbraw/zinc/44/30/91/1076443091.db2.gz DFWCOCUTPBWYPK-UHFFFAOYSA-N -1 3 309.373 2.275 20 30 DEEDHM C#Cc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001588375177 1076444511 /nfs/dbraw/zinc/44/45/11/1076444511.db2.gz IGMRHMTZBSTETL-ZHACJKMWSA-N -1 3 315.336 2.500 20 30 DEEDHM C#Cc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001588375177 1076444514 /nfs/dbraw/zinc/44/45/14/1076444514.db2.gz IGMRHMTZBSTETL-ZHACJKMWSA-N -1 3 315.336 2.500 20 30 DEEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc2c1OCO2 ZINC001588381951 1076445231 /nfs/dbraw/zinc/44/52/31/1076445231.db2.gz YEGVPRBDIUHPHX-UHFFFAOYSA-N -1 3 308.301 2.041 20 30 DEEDHM C=C(Br)COc1ccc(-c2nnn[n-]2)cc1OC ZINC001588392347 1076446658 /nfs/dbraw/zinc/44/66/58/1076446658.db2.gz YORVLWTVKHIMPE-UHFFFAOYSA-N -1 3 311.139 2.163 20 30 DEEDHM C=C(Br)COc1ccc(-c2nn[n-]n2)cc1OC ZINC001588392347 1076446659 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C=CC(C)(C)C(=O)OCc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588481223 1076450768 /nfs/dbraw/zinc/45/07/68/1076450768.db2.gz IQJPCKVOHQBBND-UHFFFAOYSA-N -1 3 317.305 2.030 20 30 DEEDHM C=CC[C@@H]1CCN1C(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588564569 1076455304 /nfs/dbraw/zinc/45/53/04/1076455304.db2.gz ONFHLNMEDOQJFG-CQSZACIVSA-N -1 3 311.389 2.203 20 30 DEEDHM C=CC[C@@H]1CCN1C(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588564569 1076455306 /nfs/dbraw/zinc/45/53/06/1076455306.db2.gz ONFHLNMEDOQJFG-CQSZACIVSA-N -1 3 311.389 2.203 20 30 DEEDHM C=CCCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588595143 1076456058 /nfs/dbraw/zinc/45/60/58/1076456058.db2.gz ZOLOULBHBWUCJN-JTQLQIEISA-N -1 3 300.366 2.045 20 30 DEEDHM C=CCCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588595143 1076456063 /nfs/dbraw/zinc/45/60/63/1076456063.db2.gz ZOLOULBHBWUCJN-JTQLQIEISA-N -1 3 300.366 2.045 20 30 DEEDHM C=CCCC[C@@H](C)NC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588594442 1076456576 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C=C[C@@H]1OCCC[C@H]1Nc1cc(C)cc(F)c1-c1nnn[n-]1 ZINC001588718278 1076461721 /nfs/dbraw/zinc/46/17/21/1076461721.db2.gz FYDMRTIDMWAEJW-YPMHNXCESA-N -1 3 303.341 2.460 20 30 DEEDHM C=C[C@@H]1OCCC[C@H]1Nc1cc(C)cc(F)c1-c1nn[n-]n1 ZINC001588718278 1076461722 /nfs/dbraw/zinc/46/17/22/1076461722.db2.gz FYDMRTIDMWAEJW-YPMHNXCESA-N -1 3 303.341 2.460 20 30 DEEDHM CC#CCCCC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001588745683 1076462111 /nfs/dbraw/zinc/46/21/11/1076462111.db2.gz AWHNLRNPXBNICZ-UHFFFAOYSA-N -1 3 302.309 2.243 20 30 DEEDHM CC#CCCCC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001588745683 1076462114 /nfs/dbraw/zinc/46/21/14/1076462114.db2.gz AWHNLRNPXBNICZ-UHFFFAOYSA-N -1 3 302.309 2.243 20 30 DEEDHM CC(C)(C)C#CC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001589068370 1076473700 /nfs/dbraw/zinc/47/37/00/1076473700.db2.gz QLGZSDSNMVKWCE-UHFFFAOYSA-N -1 3 311.389 2.268 20 30 DEEDHM CC(C)(C)C#CC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001589068370 1076473703 /nfs/dbraw/zinc/47/37/03/1076473703.db2.gz 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COc1ccc(C#N)cc1NCc1ccccc1-c1nnn[n-]1 ZINC001591570367 1076759828 /nfs/dbraw/zinc/75/98/28/1076759828.db2.gz KTGDVNSLRGQTGF-UHFFFAOYSA-N -1 3 306.329 2.359 20 30 DEEDHM COc1ccc(C#N)cc1NCc1ccccc1-c1nn[n-]n1 ZINC001591570367 1076759829 /nfs/dbraw/zinc/75/98/29/1076759829.db2.gz KTGDVNSLRGQTGF-UHFFFAOYSA-N -1 3 306.329 2.359 20 30 DEEDHM COc1ccc(C=CC(=O)c2cncc(C)c2)cc1-c1nnn[n-]1 ZINC001591582617 1076760472 /nfs/dbraw/zinc/76/04/72/1076760472.db2.gz FMEJASKKLFRPLJ-HYXAFXHYSA-N -1 3 321.340 2.475 20 30 DEEDHM COc1ccc(C=CC(=O)c2cncc(C)c2)cc1-c1nn[n-]n1 ZINC001591582617 1076760474 /nfs/dbraw/zinc/76/04/74/1076760474.db2.gz FMEJASKKLFRPLJ-HYXAFXHYSA-N -1 3 321.340 2.475 20 30 DEEDHM COc1ccccc1CON=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591650361 1076769741 /nfs/dbraw/zinc/76/97/41/1076769741.db2.gz LXOGIADHJPKYKA-UHFFFAOYSA-N -1 3 309.329 2.426 20 30 DEEDHM COc1ccccc1CON=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591650361 1076769742 /nfs/dbraw/zinc/76/97/42/1076769742.db2.gz LXOGIADHJPKYKA-UHFFFAOYSA-N -1 3 309.329 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C=CCOCC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823926053 608342920 /nfs/dbraw/zinc/34/29/20/608342920.db2.gz XKJYBXSDLNZDET-UHFFFAOYSA-N -1 3 321.768 2.076 20 30 DEEDHM C=CC[C@@H](CO)CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000823888742 608411395 /nfs/dbraw/zinc/41/13/95/608411395.db2.gz VDMZGGDGRAQOSN-LLVKDONJSA-N -1 3 310.361 2.011 20 30 DEEDHM C=CC[C@@H](CO)CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000823888742 608411396 /nfs/dbraw/zinc/41/13/96/608411396.db2.gz VDMZGGDGRAQOSN-LLVKDONJSA-N -1 3 310.361 2.011 20 30 DEEDHM Cn1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(C(C)(C)C)n1 ZINC000826360254 608752503 /nfs/dbraw/zinc/75/25/03/608752503.db2.gz CVKZLEOWVIBVQO-UHFFFAOYSA-N -1 3 324.392 2.344 20 30 DEEDHM C=CCOc1ccccc1CNc1cnccc1-c1nnn[n-]1 ZINC000823931817 608783340 /nfs/dbraw/zinc/78/33/40/608783340.db2.gz GFRKXMUKLGDJNH-UHFFFAOYSA-N -1 3 308.345 2.439 20 30 DEEDHM C=CCOc1ccccc1CNc1cnccc1-c1nn[n-]n1 ZINC000823931817 608783341 /nfs/dbraw/zinc/78/33/41/608783341.db2.gz GFRKXMUKLGDJNH-UHFFFAOYSA-N -1 3 308.345 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C=C1CCC(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2N)CC1 ZINC001588462057 1076449391 /nfs/dbraw/zinc/44/93/91/1076449391.db2.gz BUCBWTYNHVFFFQ-UHFFFAOYSA-N -1 3 316.340 2.273 20 30 DEEDHM C=CCC(C)(C)C(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001588532419 1076452675 /nfs/dbraw/zinc/45/26/75/1076452675.db2.gz VJCHXEWEQOKDNR-UHFFFAOYSA-N -1 3 313.405 2.470 20 30 DEEDHM C=CCC(C)(C)C(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001588532419 1076452677 /nfs/dbraw/zinc/45/26/77/1076452677.db2.gz VJCHXEWEQOKDNR-UHFFFAOYSA-N -1 3 313.405 2.470 20 30 DEEDHM C=CC[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588539742 1076453060 /nfs/dbraw/zinc/45/30/60/1076453060.db2.gz XPGBYIOEHNRBEY-QWRGUYRKSA-N -1 3 302.334 2.142 20 30 DEEDHM C=CC[C@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588539742 1076453061 /nfs/dbraw/zinc/45/30/61/1076453061.db2.gz XPGBYIOEHNRBEY-QWRGUYRKSA-N -1 3 302.334 2.142 20 30 DEEDHM C=CCC(F)(F)C(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001588545551 1076454029 /nfs/dbraw/zinc/45/40/29/1076454029.db2.gz 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1076456333 /nfs/dbraw/zinc/45/63/33/1076456333.db2.gz ISNLZJJZYXULDP-GFCCVEGCSA-N -1 3 315.377 2.107 20 30 DEEDHM C=CCCCCNC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588596130 1076456335 /nfs/dbraw/zinc/45/63/35/1076456335.db2.gz ISNLZJJZYXULDP-GFCCVEGCSA-N -1 3 315.377 2.107 20 30 DEEDHM C=CCCO[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001588610439 1076456834 /nfs/dbraw/zinc/45/68/34/1076456834.db2.gz FIRHPYVTWBIVSK-MRVPVSSYSA-N -1 3 323.303 2.065 20 30 DEEDHM C=CCCO[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001588610439 1076456839 /nfs/dbraw/zinc/45/68/39/1076456839.db2.gz FIRHPYVTWBIVSK-MRVPVSSYSA-N -1 3 323.303 2.065 20 30 DEEDHM C=CCCCCNC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c12 ZINC001588596527 1076457375 /nfs/dbraw/zinc/45/73/75/1076457375.db2.gz RQQUXKHNRBQUSX-UHFFFAOYSA-N -1 3 310.361 2.434 20 30 DEEDHM C=CCCCCNC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c12 ZINC001588596527 1076457378 /nfs/dbraw/zinc/45/73/78/1076457378.db2.gz RQQUXKHNRBQUSX-UHFFFAOYSA-N -1 3 310.361 2.434 20 30 DEEDHM C=CCNC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588658579 1076459978 /nfs/dbraw/zinc/45/99/78/1076459978.db2.gz QHULOHSRJNITOW-NSHDSACASA-N -1 3 300.366 2.145 20 30 DEEDHM C=CCNC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588658579 1076459982 /nfs/dbraw/zinc/45/99/82/1076459982.db2.gz QHULOHSRJNITOW-NSHDSACASA-N -1 3 300.366 2.145 20 30 DEEDHM C=CCO[C@H]1CCN(c2cc(C)cc(F)c2-c2nnn[n-]2)C1 ZINC001588666042 1076460778 /nfs/dbraw/zinc/46/07/78/1076460778.db2.gz XSSHWQOJXIDNMX-NSHDSACASA-N -1 3 303.341 2.096 20 30 DEEDHM C=CCO[C@H]1CCN(c2cc(C)cc(F)c2-c2nn[n-]n2)C1 ZINC001588666042 1076460782 /nfs/dbraw/zinc/46/07/82/1076460782.db2.gz XSSHWQOJXIDNMX-NSHDSACASA-N -1 3 303.341 2.096 20 30 DEEDHM CC(=NNCCC(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588777223 1076465070 /nfs/dbraw/zinc/46/50/70/1076465070.db2.gz IYUQRMCMHPJKSD-UHFFFAOYSA-N -1 3 316.262 2.272 20 30 DEEDHM CC(=NNCCC(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588777223 1076465073 /nfs/dbraw/zinc/46/50/73/1076465073.db2.gz 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ZINC001589542295 1076497667 /nfs/dbraw/zinc/49/76/67/1076497667.db2.gz WVUMCFUUPKGHLD-HNNXBMFYSA-N -1 3 316.340 2.064 20 30 DEEDHM C[C@@H](NC(=O)c1cscc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589950608 1076532761 /nfs/dbraw/zinc/53/27/61/1076532761.db2.gz HUZTUNORNYAZFR-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@@H](NC(=O)c1cscc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589950608 1076532762 /nfs/dbraw/zinc/53/27/62/1076532762.db2.gz HUZTUNORNYAZFR-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM CC1(C)C[C@@H](NN=Cc2csc(-c3nnn[n-]3)c2)C(C)(C)O1 ZINC001590083977 1076558110 /nfs/dbraw/zinc/55/81/10/1076558110.db2.gz QUQLVZVEJCRTRK-LLVKDONJSA-N -1 3 320.422 2.198 20 30 DEEDHM CC1(C)CCCN(C(=O)c2cc(-c3nnn[n-]3)cs2)[C@H]1C#N ZINC001590095912 1076562631 /nfs/dbraw/zinc/56/26/31/1076562631.db2.gz CNLNIFUNSOSXST-NSHDSACASA-N -1 3 316.390 2.083 20 30 DEEDHM CC1(C)CCCN(C(=O)c2cc(-c3nn[n-]n3)cs2)[C@H]1C#N ZINC001590095912 1076562636 /nfs/dbraw/zinc/56/26/36/1076562636.db2.gz CNLNIFUNSOSXST-NSHDSACASA-N -1 3 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/nfs/dbraw/zinc/64/15/99/1076641599.db2.gz LHIPBTJTKJMYGP-SNVBAGLBSA-N -1 3 306.757 2.487 20 30 DEEDHM CCCCCCCNS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590594443 1076657906 /nfs/dbraw/zinc/65/79/06/1076657906.db2.gz LMRYFZGTHQIGRC-UHFFFAOYSA-N -1 3 323.422 2.115 20 30 DEEDHM CCCCCCCNS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590594443 1076657909 /nfs/dbraw/zinc/65/79/09/1076657909.db2.gz LMRYFZGTHQIGRC-UHFFFAOYSA-N -1 3 323.422 2.115 20 30 DEEDHM COc1cc(CNc2ccc(F)cc2C#N)ccc1-c1nnn[n-]1 ZINC001591535968 1076755420 /nfs/dbraw/zinc/75/54/20/1076755420.db2.gz PJASVYIZKOOXQI-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1cc(CNc2ccc(F)cc2C#N)ccc1-c1nn[n-]n1 ZINC001591535968 1076755426 /nfs/dbraw/zinc/75/54/26/1076755426.db2.gz PJASVYIZKOOXQI-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM CS[C@H]1CCCC(N=Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001591689604 1076772493 /nfs/dbraw/zinc/77/24/93/1076772493.db2.gz FYBMHPNTQZQPRW-NSHDSACASA-N -1 3 303.395 2.335 20 30 DEEDHM CS[C@H]1CCCC(N=Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001591689604 1076772498 /nfs/dbraw/zinc/77/24/98/1076772498.db2.gz FYBMHPNTQZQPRW-NSHDSACASA-N -1 3 303.395 2.335 20 30 DEEDHM Cc1cc(NCCCCC#N)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592048305 1076838634 /nfs/dbraw/zinc/83/86/34/1076838634.db2.gz ZSGZHYLXCGWKDB-UHFFFAOYSA-N -1 3 301.310 2.189 20 30 DEEDHM Cc1cc(NCCCCC#N)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592048305 1076838638 /nfs/dbraw/zinc/83/86/38/1076838638.db2.gz ZSGZHYLXCGWKDB-UHFFFAOYSA-N -1 3 301.310 2.189 20 30 DEEDHM Cc1ccnc(N(C)Cc2cc(C#N)cs2)c1-c1nnn[n-]1 ZINC001592274180 1076887691 /nfs/dbraw/zinc/88/76/91/1076887691.db2.gz NDVNYWVHLCEHIC-UHFFFAOYSA-N -1 3 311.374 2.140 20 30 DEEDHM Cc1ccnc(N(C)Cc2cc(C#N)cs2)c1-c1nn[n-]n1 ZINC001592274180 1076887694 /nfs/dbraw/zinc/88/76/94/1076887694.db2.gz NDVNYWVHLCEHIC-UHFFFAOYSA-N -1 3 311.374 2.140 20 30 DEEDHM Cc1ccnc(NCCc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC001592275074 1076889047 /nfs/dbraw/zinc/88/90/47/1076889047.db2.gz YIDUARXUTHMMHH-UHFFFAOYSA-N -1 3 305.345 2.096 20 30 DEEDHM Cc1ccnc(NCCc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC001592275074 1076889052 /nfs/dbraw/zinc/88/90/52/1076889052.db2.gz YIDUARXUTHMMHH-UHFFFAOYSA-N -1 3 305.345 2.096 20 30 DEEDHM Cc1coc(C)c1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001592307677 1076894647 /nfs/dbraw/zinc/89/46/47/1076894647.db2.gz LYMYRGDWMXFSJP-UHFFFAOYSA-N -1 3 308.301 2.201 20 30 DEEDHM Cc1coc(C)c1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001592307677 1076894651 /nfs/dbraw/zinc/89/46/51/1076894651.db2.gz LYMYRGDWMXFSJP-UHFFFAOYSA-N -1 3 308.301 2.201 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1cc2ccccc2o1 ZINC001592341439 1076900852 /nfs/dbraw/zinc/90/08/52/1076900852.db2.gz YKCBQNINECZITH-UHFFFAOYSA-N -1 3 305.301 2.038 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1cc2ccccc2o1 ZINC001592341439 1076900856 /nfs/dbraw/zinc/90/08/56/1076900856.db2.gz YKCBQNINECZITH-UHFFFAOYSA-N -1 3 305.301 2.038 20 30 DEEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NOCCC(F)(F)F ZINC001592633854 1076937622 /nfs/dbraw/zinc/93/76/22/1076937622.db2.gz DDDSENRDQYHDKB-UHFFFAOYSA-N 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C=CCOCCCC(=O)N[C@H]1CC[C@H](c2nccc(=O)[n-]2)CC1 ZINC001647563080 1074947149 /nfs/dbraw/zinc/94/71/49/1074947149.db2.gz WWOQJZWZCXVTPJ-HDJSIYSDSA-N -1 3 319.405 2.307 20 30 DEEDHM Cc1cc(C#N)cc(NC(=O)c2cc(C)c(-c3nnn[n-]3)cn2)c1 ZINC001580768578 1075990931 /nfs/dbraw/zinc/99/09/31/1075990931.db2.gz CHKJBQJPOWUQAX-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(C#N)cc(NC(=O)c2cc(C)c(-c3nn[n-]n3)cn2)c1 ZINC001580768578 1075990934 /nfs/dbraw/zinc/99/09/34/1075990934.db2.gz CHKJBQJPOWUQAX-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(C(=O)Nc2ccc(C#N)cn2)cc(C)c1-c1nnn[n-]1 ZINC001580886573 1076013655 /nfs/dbraw/zinc/01/36/55/1076013655.db2.gz IGWSGUMIDOYYRV-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(C(=O)Nc2ccc(C#N)cn2)cc(C)c1-c1nn[n-]n1 ZINC001580886573 1076013663 /nfs/dbraw/zinc/01/36/63/1076013663.db2.gz IGWSGUMIDOYYRV-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(C(=O)Nc2cc(C#N)ccn2)cc(C)c1-c1nnn[n-]1 ZINC001580885106 1076013890 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Cc1ccnc(N(C)CCc2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC001581278650 1076061494 /nfs/dbraw/zinc/06/14/94/1076061494.db2.gz ASSNLLLXAFCDKX-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM Cc1ccnc(N(C)CCc2cccc(C#N)c2)c1-c1nn[n-]n1 ZINC001581278650 1076061497 /nfs/dbraw/zinc/06/14/97/1076061497.db2.gz ASSNLLLXAFCDKX-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM C#CC1CCN(C(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC001588330962 1076441304 /nfs/dbraw/zinc/44/13/04/1076441304.db2.gz MMPRQOXMYBJDGU-UHFFFAOYSA-N -1 3 315.764 2.006 20 30 DEEDHM C#CC1CCN(C(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC001588330962 1076441307 /nfs/dbraw/zinc/44/13/07/1076441307.db2.gz MMPRQOXMYBJDGU-UHFFFAOYSA-N -1 3 315.764 2.006 20 30 DEEDHM C#CCCCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588336367 1076442010 /nfs/dbraw/zinc/44/20/10/1076442010.db2.gz NQNULPHJTMMMCP-UHFFFAOYSA-N -1 3 303.753 2.286 20 30 DEEDHM C#CCCCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588336367 1076442014 /nfs/dbraw/zinc/44/20/14/1076442014.db2.gz 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C=C1CN(c2nc3c(c(C#N)c2-c2nn[n-]n2)CCCCCC3)C1 ZINC001588462484 1076449438 /nfs/dbraw/zinc/44/94/38/1076449438.db2.gz IQGAEEYVNNESJT-UHFFFAOYSA-N -1 3 321.388 2.169 20 30 DEEDHM C=C(Cl)COC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588448285 1076449471 /nfs/dbraw/zinc/44/94/71/1076449471.db2.gz UIHRVUXRZDQNHZ-UHFFFAOYSA-N -1 3 304.737 2.194 20 30 DEEDHM C=C(Cl)COC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588448285 1076449473 /nfs/dbraw/zinc/44/94/73/1076449473.db2.gz UIHRVUXRZDQNHZ-UHFFFAOYSA-N -1 3 304.737 2.194 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1NC ZINC001588497329 1076450228 /nfs/dbraw/zinc/45/02/28/1076450228.db2.gz ZQLCOTFLIPZXEI-HNNXBMFYSA-N -1 3 300.366 2.449 20 30 DEEDHM C=CC(C)(C)COC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001588488486 1076450234 /nfs/dbraw/zinc/45/02/34/1076450234.db2.gz ITUISYXRYCSGRW-UHFFFAOYSA-N -1 3 302.334 2.001 20 30 DEEDHM C=CC(C)(C)COC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001588488486 1076450238 /nfs/dbraw/zinc/45/02/38/1076450238.db2.gz 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/nfs/dbraw/zinc/45/38/77/1076453877.db2.gz BTJIHOJDRIOZTE-UHFFFAOYSA-N -1 3 311.267 2.464 20 30 DEEDHM C=CCCCCN[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588596438 1076456483 /nfs/dbraw/zinc/45/64/83/1076456483.db2.gz QLSUIDDBDZFTBE-CQSZACIVSA-N -1 3 315.377 2.027 20 30 DEEDHM C=CCCCCN[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 ZINC001588596438 1076456485 /nfs/dbraw/zinc/45/64/85/1076456485.db2.gz QLSUIDDBDZFTBE-CQSZACIVSA-N -1 3 315.377 2.027 20 30 DEEDHM C=CCCOCC(=O)N(C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588611610 1076457411 /nfs/dbraw/zinc/45/74/11/1076457411.db2.gz UYGLSFVKAORSLW-UHFFFAOYSA-N -1 3 321.768 2.076 20 30 DEEDHM C=CCCOCC(=O)N(C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588611610 1076457412 /nfs/dbraw/zinc/45/74/12/1076457412.db2.gz UYGLSFVKAORSLW-UHFFFAOYSA-N -1 3 321.768 2.076 20 30 DEEDHM C=CCN(CC=C)c1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001588631978 1076458546 /nfs/dbraw/zinc/45/85/46/1076458546.db2.gz PDBTUYQECGHBCC-UHFFFAOYSA-N -1 3 321.182 2.203 20 30 DEEDHM C=CCN(CC=C)c1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001588631978 1076458553 /nfs/dbraw/zinc/45/85/53/1076458553.db2.gz PDBTUYQECGHBCC-UHFFFAOYSA-N -1 3 321.182 2.203 20 30 DEEDHM C=CCSCCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001588695457 1076462008 /nfs/dbraw/zinc/46/20/08/1076462008.db2.gz WIKWDUQBVCMQIB-UHFFFAOYSA-N -1 3 306.351 2.106 20 30 DEEDHM C=CCSCCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001588695457 1076462015 /nfs/dbraw/zinc/46/20/15/1076462015.db2.gz WIKWDUQBVCMQIB-UHFFFAOYSA-N -1 3 306.351 2.106 20 30 DEEDHM CC(N=Nc1ccc(Cl)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC001588780835 1076464649 /nfs/dbraw/zinc/46/46/49/1076464649.db2.gz PPSAYFNWSNHTNK-UHFFFAOYSA-N -1 3 314.740 2.146 20 30 DEEDHM CC(N=Nc1ccc(Cl)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC001588780835 1076464653 /nfs/dbraw/zinc/46/46/53/1076464653.db2.gz PPSAYFNWSNHTNK-UHFFFAOYSA-N -1 3 314.740 2.146 20 30 DEEDHM C[C@H](C#N)CNC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588934629 1076470588 /nfs/dbraw/zinc/47/05/88/1076470588.db2.gz 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1076488107 /nfs/dbraw/zinc/48/81/07/1076488107.db2.gz BZSFDOILRQEBFI-UHFFFAOYSA-N -1 3 301.379 2.164 20 30 DEEDHM CC(C)=CCCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001589375389 1076488108 /nfs/dbraw/zinc/48/81/08/1076488108.db2.gz BZSFDOILRQEBFI-UHFFFAOYSA-N -1 3 301.379 2.164 20 30 DEEDHM CCC(C#N)(CC)C(=O)OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590367374 1076615917 /nfs/dbraw/zinc/61/59/17/1076615917.db2.gz OUISHQVLPPZYIT-UHFFFAOYSA-N -1 3 317.324 2.379 20 30 DEEDHM CCC(C#N)(CC)C(=O)OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001590367374 1076615919 /nfs/dbraw/zinc/61/59/19/1076615919.db2.gz OUISHQVLPPZYIT-UHFFFAOYSA-N -1 3 317.324 2.379 20 30 DEEDHM CC[C@@H](OCCn1cnc(C#N)c1-c1nnn[n-]1)c1ccccc1 ZINC001590479004 1076637905 /nfs/dbraw/zinc/63/79/05/1076637905.db2.gz JRELTBHPYKXSLQ-CQSZACIVSA-N -1 3 323.360 2.103 20 30 DEEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)CCCC#N ZINC001590629803 1076662453 /nfs/dbraw/zinc/66/24/53/1076662453.db2.gz HOQATQFCANXVER-UHFFFAOYSA-N -1 3 312.377 2.299 20 30 DEEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)CCCC#N ZINC001590629803 1076662457 /nfs/dbraw/zinc/66/24/57/1076662457.db2.gz HOQATQFCANXVER-UHFFFAOYSA-N -1 3 312.377 2.299 20 30 DEEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)C1(C#N)CCCC1 ZINC001590878237 1076688410 /nfs/dbraw/zinc/68/84/10/1076688410.db2.gz PYPDPSYDWCHOGM-UHFFFAOYSA-N -1 3 311.345 2.418 20 30 DEEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)C1(C#N)CCCC1 ZINC001590878237 1076688415 /nfs/dbraw/zinc/68/84/15/1076688415.db2.gz PYPDPSYDWCHOGM-UHFFFAOYSA-N -1 3 311.345 2.418 20 30 DEEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1cccc(C#N)c1 ZINC001591127664 1076710067 /nfs/dbraw/zinc/71/00/67/1076710067.db2.gz HCNIVSXNKQZEKQ-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1cccc(C#N)c1 ZINC001591127664 1076710069 /nfs/dbraw/zinc/71/00/69/1076710069.db2.gz HCNIVSXNKQZEKQ-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM COC(=O)c1coc(C=CC(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC001591307901 1076720185 /nfs/dbraw/zinc/72/01/85/1076720185.db2.gz 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ZINC001591838363 1076791456 /nfs/dbraw/zinc/79/14/56/1076791456.db2.gz COHVVUARELGHLC-UHFFFAOYSA-N -1 3 324.388 2.297 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)NCC1(C#N)CCCC1 ZINC001591838363 1076791458 /nfs/dbraw/zinc/79/14/58/1076791458.db2.gz COHVVUARELGHLC-UHFFFAOYSA-N -1 3 324.388 2.297 20 30 DEEDHM Cc1cc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)cc(C)c1-c1nnn[n-]1 ZINC001591935794 1076808783 /nfs/dbraw/zinc/80/87/83/1076808783.db2.gz CHUFMWBGUAYMQH-DGCLKSJQSA-N -1 3 311.345 2.333 20 30 DEEDHM Cc1cc(C(=O)O[C@@H]2CC[C@@H](C#N)C2)cc(C)c1-c1nn[n-]n1 ZINC001591935794 1076808787 /nfs/dbraw/zinc/80/87/87/1076808787.db2.gz CHUFMWBGUAYMQH-DGCLKSJQSA-N -1 3 311.345 2.333 20 30 DEEDHM Cc1ccc(C(=O)OCc2ccccc2-c2nnn[n-]2)cc1C#N ZINC001592133731 1076855408 /nfs/dbraw/zinc/85/54/08/1076855408.db2.gz VVXZFOLMIZVSSO-UHFFFAOYSA-N -1 3 319.324 2.404 20 30 DEEDHM Cc1ccc(C(=O)OCc2ccccc2-c2nn[n-]n2)cc1C#N ZINC001592133731 1076855411 /nfs/dbraw/zinc/85/54/11/1076855411.db2.gz VVXZFOLMIZVSSO-UHFFFAOYSA-N -1 3 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ZINC000819729799 606766223 /nfs/dbraw/zinc/76/62/23/606766223.db2.gz MWRXUHXIQHHFDF-VIFPVBQESA-N -1 3 303.370 2.119 20 30 DEEDHM C=CC1CCN(c2nnc(CC)c(CC)c2-c2nnn[n-]2)CC1 ZINC000819729728 606933343 /nfs/dbraw/zinc/93/33/43/606933343.db2.gz LNAWAOAHGHTXQN-UHFFFAOYSA-N -1 3 313.409 2.184 20 30 DEEDHM C=CC1CCN(c2nnc(CC)c(CC)c2-c2nn[n-]n2)CC1 ZINC000819729728 606933345 /nfs/dbraw/zinc/93/33/45/606933345.db2.gz LNAWAOAHGHTXQN-UHFFFAOYSA-N -1 3 313.409 2.184 20 30 DEEDHM C#CCCCCNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819692707 606952770 /nfs/dbraw/zinc/95/27/70/606952770.db2.gz HGEBUNXRYQRVCU-GFCCVEGCSA-N -1 3 312.377 2.030 20 30 DEEDHM C#CCCCCNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819692707 606952771 /nfs/dbraw/zinc/95/27/71/606952771.db2.gz HGEBUNXRYQRVCU-GFCCVEGCSA-N -1 3 312.377 2.030 20 30 DEEDHM C(=NNCc1ccccc1)c1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000819718721 607146629 /nfs/dbraw/zinc/14/66/29/607146629.db2.gz OLRSGOFLIOZTMA-UHFFFAOYSA-N -1 3 317.356 2.472 20 30 DEEDHM C(=NNCc1ccccc1)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000819718721 607146630 /nfs/dbraw/zinc/14/66/30/607146630.db2.gz OLRSGOFLIOZTMA-UHFFFAOYSA-N -1 3 317.356 2.472 20 30 DEEDHM N#Cc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000822825337 607245483 /nfs/dbraw/zinc/24/54/83/607245483.db2.gz BNJOLILZZBBIKX-UHFFFAOYSA-N -1 3 315.289 2.158 20 30 DEEDHM N#Cc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000822825337 607245484 /nfs/dbraw/zinc/24/54/84/607245484.db2.gz BNJOLILZZBBIKX-UHFFFAOYSA-N -1 3 315.289 2.158 20 30 DEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cc(O)cc(O)c1 ZINC000826399846 607808248 /nfs/dbraw/zinc/80/82/48/607808248.db2.gz HSRZSKOKUAGYAL-IWQZZHSRSA-N -1 3 314.326 2.236 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@H](O)c1ccc(C#N)cc1 ZINC000826254987 607875759 /nfs/dbraw/zinc/87/57/59/607875759.db2.gz HZLYODKPIXTHEE-HNNXBMFYSA-N -1 3 321.340 2.159 20 30 DEEDHM C#CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823838357 607956530 /nfs/dbraw/zinc/95/65/30/607956530.db2.gz OOXLNGIIFUHRRK-INIZCTEOSA-N -1 3 317.352 2.361 20 30 DEEDHM C#CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823838357 607956531 /nfs/dbraw/zinc/95/65/31/607956531.db2.gz OOXLNGIIFUHRRK-INIZCTEOSA-N -1 3 317.352 2.361 20 30 DEEDHM C#CCCCNc1ccc(-c2nn[n-]n2)cc1Br ZINC000823841918 608050668 /nfs/dbraw/zinc/05/06/68/608050668.db2.gz VHNZHXKEWGREIE-UHFFFAOYSA-N -1 3 306.167 2.455 20 30 DEEDHM C=CCN(c1nc(C(F)(F)F)ccc1-c1nnn[n-]1)C1CC1 ZINC000823919470 608243371 /nfs/dbraw/zinc/24/33/71/608243371.db2.gz HAXFCYFOQZEDEO-UHFFFAOYSA-N -1 3 310.283 2.435 20 30 DEEDHM C=CCN(c1nc(C(F)(F)F)ccc1-c1nn[n-]n1)C1CC1 ZINC000823919470 608243373 /nfs/dbraw/zinc/24/33/73/608243373.db2.gz HAXFCYFOQZEDEO-UHFFFAOYSA-N -1 3 310.283 2.435 20 30 DEEDHM C[C@@H](C#N)CN(C)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000824035321 608367116 /nfs/dbraw/zinc/36/71/16/608367116.db2.gz WXBDBCVMFRLORV-QMMMGPOBSA-N -1 3 310.283 2.481 20 30 DEEDHM C[C@@H](C#N)CN(C)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000824035321 608367118 /nfs/dbraw/zinc/36/71/18/608367118.db2.gz WXBDBCVMFRLORV-QMMMGPOBSA-N -1 3 310.283 2.481 20 30 DEEDHM Cc1cc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nn1CCC#N ZINC000826270575 608488459 /nfs/dbraw/zinc/48/84/59/608488459.db2.gz FVMQXXAHTCPORH-LBPRGKRZSA-N -1 3 322.376 2.458 20 30 DEEDHM Cc1cc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nn1CCC#N ZINC000826270575 608488460 /nfs/dbraw/zinc/48/84/60/608488460.db2.gz FVMQXXAHTCPORH-LBPRGKRZSA-N -1 3 322.376 2.458 20 30 DEEDHM CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1cccc(C#N)c1 ZINC000825976815 608525413 /nfs/dbraw/zinc/52/54/13/608525413.db2.gz QZOYUZSPLDDFOA-UHFFFAOYSA-N -1 3 310.386 2.432 20 30 DEEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cncc(F)c1 ZINC000826400863 608880748 /nfs/dbraw/zinc/88/07/48/608880748.db2.gz JZXYXQMOGGRCHQ-RQOWECAXSA-N -1 3 313.267 2.436 20 30 DEEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cncc(F)c1 ZINC000826400863 608880751 /nfs/dbraw/zinc/88/07/51/608880751.db2.gz JZXYXQMOGGRCHQ-RQOWECAXSA-N -1 3 313.267 2.436 20 30 DEEDHM N#CCc1ccccc1CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000777287572 609139026 /nfs/dbraw/zinc/13/90/26/609139026.db2.gz MJCSDBKYLUHLGI-UHFFFAOYSA-N -1 3 318.340 2.114 20 30 DEEDHM N#CCc1ccccc1CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000777287572 609139028 /nfs/dbraw/zinc/13/90/28/609139028.db2.gz MJCSDBKYLUHLGI-UHFFFAOYSA-N -1 3 318.340 2.114 20 30 DEEDHM O=C(C=Cc1nccs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402734 609273195 /nfs/dbraw/zinc/27/31/95/609273195.db2.gz AOXKWUZNJOVKJX-ARJAWSKDSA-N -1 3 301.306 2.358 20 30 DEEDHM O=C(C=Cc1nccs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402734 609273197 /nfs/dbraw/zinc/27/31/97/609273197.db2.gz AOXKWUZNJOVKJX-ARJAWSKDSA-N -1 3 301.306 2.358 20 30 DEEDHM COc1cc(C)c(C=NNc2ccc(-c3nn[n-]n3)cc2)c(C)n1 ZINC000826178216 609374332 /nfs/dbraw/zinc/37/43/32/609374332.db2.gz OHJRZFGDNJLTHL-UHFFFAOYSA-N -1 3 323.360 2.333 20 30 DEEDHM C=C(C)CN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000823874375 609377329 /nfs/dbraw/zinc/37/73/29/609377329.db2.gz VPULMWCLDYYWRA-UHFFFAOYSA-N -1 3 316.365 2.305 20 30 DEEDHM C=C(C)CN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000823874375 609377333 /nfs/dbraw/zinc/37/73/33/609377333.db2.gz VPULMWCLDYYWRA-UHFFFAOYSA-N -1 3 316.365 2.305 20 30 DEEDHM N#Cc1ccc(NC(=O)C23CCC(CC2)C3)cc1-c1nnn[n-]1 ZINC000826385679 609503304 /nfs/dbraw/zinc/50/33/04/609503304.db2.gz WUPSWHRSKIHRCF-UHFFFAOYSA-N -1 3 308.345 2.257 20 30 DEEDHM N#Cc1ccc(NC(=O)C23CCC(CC2)C3)cc1-c1nn[n-]n1 ZINC000826385679 609503306 /nfs/dbraw/zinc/50/33/06/609503306.db2.gz WUPSWHRSKIHRCF-UHFFFAOYSA-N -1 3 308.345 2.257 20 30 DEEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)[C@@H]1CCCOC1 ZINC000823953646 609519018 /nfs/dbraw/zinc/51/90/18/609519018.db2.gz KAANVQGBPANSON-SECBINFHSA-N -1 3 321.772 2.130 20 30 DEEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)[C@@H]1CCCOC1 ZINC000823953646 609519021 /nfs/dbraw/zinc/51/90/21/609519021.db2.gz KAANVQGBPANSON-SECBINFHSA-N -1 3 321.772 2.130 20 30 DEEDHM Cc1cnc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826317856 609584870 /nfs/dbraw/zinc/58/48/70/609584870.db2.gz OTDLTHONXJILFL-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cnc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826317856 609584871 /nfs/dbraw/zinc/58/48/71/609584871.db2.gz OTDLTHONXJILFL-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM N#CCCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000826381488 609588893 /nfs/dbraw/zinc/58/88/93/609588893.db2.gz NQQMLTCIYVQUGB-UHFFFAOYSA-N -1 3 315.287 2.409 20 30 DEEDHM N#CCCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000826381488 609588895 /nfs/dbraw/zinc/58/88/95/609588895.db2.gz NQQMLTCIYVQUGB-UHFFFAOYSA-N -1 3 315.287 2.409 20 30 DEEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC000891474422 624211004 /nfs/dbraw/zinc/21/10/04/624211004.db2.gz UVDGXRYBAFCXOF-HNNXBMFYSA-N -1 3 319.340 2.173 20 30 DEEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC000891474422 624211005 /nfs/dbraw/zinc/21/10/05/624211005.db2.gz UVDGXRYBAFCXOF-HNNXBMFYSA-N -1 3 319.340 2.173 20 30 DEEDHM C#CCOc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000161459277 625084871 /nfs/dbraw/zinc/08/48/71/625084871.db2.gz CICFOUMJHGBVDR-UHFFFAOYSA-N -1 3 310.235 2.088 20 30 DEEDHM C#CCOc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000161459277 625084874 /nfs/dbraw/zinc/08/48/74/625084874.db2.gz CICFOUMJHGBVDR-UHFFFAOYSA-N -1 3 310.235 2.088 20 30 DEEDHM C#CCCC[N-]S(=O)(=O)c1cc2nc(Cl)ncc2s1 ZINC000866885880 625141558 /nfs/dbraw/zinc/14/15/58/625141558.db2.gz NHEOSTNZYKYTKT-UHFFFAOYSA-N -1 3 315.807 2.036 20 30 DEEDHM COc1cc(C=Nn2ccccc2=O)cc(Br)c1[O-] ZINC000776783358 625734327 /nfs/dbraw/zinc/73/43/27/625734327.db2.gz ABNHNACLBSMFTD-UHFFFAOYSA-N -1 3 323.146 2.207 20 30 DEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H]1CCOC[C@H]1C ZINC000835783398 649988849 /nfs/dbraw/zinc/98/88/49/649988849.db2.gz LIBWYKPIUUVZGQ-BMIGLBTASA-N -1 3 318.373 2.177 20 30 DEEDHM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cn1 ZINC000125274609 633519068 /nfs/dbraw/zinc/51/90/68/633519068.db2.gz WSTHTGNASVNLGF-CYBMUJFWSA-N -1 3 324.340 2.225 20 30 DEEDHM O=c1nc(C=N[O-])ccn1CCCOc1ccc(Cl)cc1 ZINC000736302194 633593492 /nfs/dbraw/zinc/59/34/92/633593492.db2.gz HWNDRIZISNVVMS-UHFFFAOYSA-N -1 3 307.737 2.174 20 30 DEEDHM O=C1[C@@H](NCc2c(F)cccc2OC(F)(F)F)CCCN1[O-] ZINC000895159541 637690869 /nfs/dbraw/zinc/69/08/69/637690869.db2.gz VWPWUBGBKNFNQC-JTQLQIEISA-N -1 3 322.258 2.194 20 30 DEEDHM CCc1cc2c(CN(CC#N)CCOC)cc(=O)oc2cc1[O-] ZINC000839084685 637774246 /nfs/dbraw/zinc/77/42/46/637774246.db2.gz CAJKXJZEPLPCGG-UHFFFAOYSA-N -1 3 316.357 2.033 20 30 DEEDHM Cc1nc(C([O-])=C(C#N)C(=O)NC2CCCC2)c2ccccn12 ZINC000744037691 638186637 /nfs/dbraw/zinc/18/66/37/638186637.db2.gz BUQWKPPEMJCFMW-CYBMUJFWSA-N -1 3 310.357 2.024 20 30 DEEDHM COc1cc(C=NOCc2cccnc2)c([N+](=O)[O-])cc1[O-] ZINC000746587787 638359582 /nfs/dbraw/zinc/35/95/82/638359582.db2.gz RMSYALIHSHVITL-UHFFFAOYSA-N -1 3 303.274 2.255 20 30 DEEDHM Cc1ccc([N+](=O)[O-])cc1NN=C1c2ccc([O-])cc2NC1=O ZINC000747060195 638403890 /nfs/dbraw/zinc/40/38/90/638403890.db2.gz KZZBZOOJTQXVNB-UHFFFAOYSA-N -1 3 312.285 2.377 20 30 DEEDHM COC(=O)c1ccc(/C=C/C(=O)c2ccc([O-])c(OC)c2)[nH]1 ZINC000748442330 638556250 /nfs/dbraw/zinc/55/62/50/638556250.db2.gz ZZFCQXLLXZCQKB-VMPITWQZSA-N -1 3 301.298 2.412 20 30 DEEDHM CC(C)c1cc(=O)[n-]c(N2CC[C@@H](Nc3cccc(C#N)n3)C2)n1 ZINC000896975934 639104123 /nfs/dbraw/zinc/10/41/23/639104123.db2.gz QMLKTOWDAPBXLW-CYBMUJFWSA-N -1 3 324.388 2.263 20 30 DEEDHM CC(C)c1cc(=O)[n-]c(N2CC[C@H](Nc3cccc(C#N)n3)C2)n1 ZINC000896975935 639104239 /nfs/dbraw/zinc/10/42/39/639104239.db2.gz QMLKTOWDAPBXLW-ZDUSSCGKSA-N -1 3 324.388 2.263 20 30 DEEDHM Fc1cc2c(c(F)c1)CCC2=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000752726330 639211922 /nfs/dbraw/zinc/21/19/22/639211922.db2.gz GOUCPYWNSSCXKN-UHFFFAOYSA-N -1 3 300.272 2.394 20 30 DEEDHM COc1ccc(NC(=S)NN=Cc2ccc([O-])cn2)cc1 ZINC000755504354 639556258 /nfs/dbraw/zinc/55/62/58/639556258.db2.gz CFQGGUOGDUFGQL-UHFFFAOYSA-N -1 3 302.359 2.116 20 30 DEEDHM CC(=NNC(=S)N(C)C)c1ccc(Br)cc1[O-] ZINC000756827754 639698922 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1076105006 /nfs/dbraw/zinc/10/50/06/1076105006.db2.gz HYXLXFAHMHJBJG-UHFFFAOYSA-N -1 3 320.331 2.393 20 30 DEEDHM N#Cc1ccc(F)c(NC(=O)c2csc(-c3nnn[n-]3)c2)c1 ZINC001581871103 1076106503 /nfs/dbraw/zinc/10/65/03/1076106503.db2.gz HCJOWXQFGZJKJX-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1cccc(CC(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001581874696 1076106866 /nfs/dbraw/zinc/10/68/66/1076106866.db2.gz CSIQKHWERMFGHC-UHFFFAOYSA-N -1 3 322.303 2.059 20 30 DEEDHM N#Cc1cccc(CC(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001581874696 1076106868 /nfs/dbraw/zinc/10/68/68/1076106868.db2.gz CSIQKHWERMFGHC-UHFFFAOYSA-N -1 3 322.303 2.059 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2cc(O)ccc2C1 ZINC001581874204 1076106903 /nfs/dbraw/zinc/10/69/03/1076106903.db2.gz IEBZSMHCAFGJQS-UHFFFAOYSA-N -1 3 318.340 2.007 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2cc(O)ccc2C1 ZINC001581874204 1076106905 /nfs/dbraw/zinc/10/69/05/1076106905.db2.gz IEBZSMHCAFGJQS-UHFFFAOYSA-N -1 3 318.340 2.007 20 30 DEEDHM N#Cc1cccc2c1CCN2C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001581875852 1076106991 /nfs/dbraw/zinc/10/69/91/1076106991.db2.gz TZKQDBZJFRFNJV-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM N#Cc1cccc2c1CCN2C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001581875852 1076106996 /nfs/dbraw/zinc/10/69/96/1076106996.db2.gz TZKQDBZJFRFNJV-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM N#Cc1ccsc1NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001581877153 1076107234 /nfs/dbraw/zinc/10/72/34/1076107234.db2.gz TUUATFQVZHMESA-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM C#C[C@@H](CCC)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588327213 1076439816 /nfs/dbraw/zinc/43/98/16/1076439816.db2.gz DUGUCNLVOKHUDD-VIFPVBQESA-N -1 3 318.768 2.444 20 30 DEEDHM C#C[C@@H](CCC)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588327213 1076439818 /nfs/dbraw/zinc/43/98/18/1076439818.db2.gz DUGUCNLVOKHUDD-VIFPVBQESA-N -1 3 318.768 2.444 20 30 DEEDHM C#C[C@H](NC(=O)Nc1cc(-c2nnn[n-]2)ccc1C)C(C)(C)C ZINC001588330228 1076441515 /nfs/dbraw/zinc/44/15/15/1076441515.db2.gz XOASLWWCTJPZQZ-ZDUSSCGKSA-N -1 3 312.377 2.345 20 30 DEEDHM C#C[C@H](NC(=O)Nc1cc(-c2nn[n-]n2)ccc1C)C(C)(C)C ZINC001588330228 1076441517 /nfs/dbraw/zinc/44/15/17/1076441517.db2.gz XOASLWWCTJPZQZ-ZDUSSCGKSA-N -1 3 312.377 2.345 20 30 DEEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)CCC2 ZINC001588381882 1076445497 /nfs/dbraw/zinc/44/54/97/1076445497.db2.gz VSEHYGSGORDUAA-UHFFFAOYSA-N -1 3 318.384 2.479 20 30 DEEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)CCC2 ZINC001588381882 1076445498 /nfs/dbraw/zinc/44/54/98/1076445498.db2.gz VSEHYGSGORDUAA-UHFFFAOYSA-N -1 3 318.384 2.479 20 30 DEEDHM C(=NNCC1CCCC1)c1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC001588381649 1076445794 /nfs/dbraw/zinc/44/57/94/1076445794.db2.gz NJPGKBUMNOGRPW-UHFFFAOYSA-N -1 3 309.377 2.462 20 30 DEEDHM C(=NNCC1CCCC1)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC001588381649 1076445796 /nfs/dbraw/zinc/44/57/96/1076445796.db2.gz NJPGKBUMNOGRPW-UHFFFAOYSA-N -1 3 309.377 2.462 20 30 DEEDHM C=C(C)[C@@H](CO)Sc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001588400685 1076446186 /nfs/dbraw/zinc/44/61/86/1076446186.db2.gz DPIGNMUAKOUNAX-CYBMUJFWSA-N -1 3 317.418 2.170 20 30 DEEDHM C=C(C)[C@@H](CO)Sc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001588400685 1076446188 /nfs/dbraw/zinc/44/61/88/1076446188.db2.gz DPIGNMUAKOUNAX-CYBMUJFWSA-N -1 3 317.418 2.170 20 30 DEEDHM C=C(C)C[C@H](C)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588405797 1076446583 /nfs/dbraw/zinc/44/65/83/1076446583.db2.gz PTUIWCOEIPEQCZ-LBPRGKRZSA-N -1 3 316.361 2.391 20 30 DEEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(F)cc1-c1nnn[n-]1 ZINC001588400799 1076446698 /nfs/dbraw/zinc/44/66/98/1076446698.db2.gz GIGVDVILRFSUQT-HZMBPMFUSA-N -1 3 303.341 2.399 20 30 DEEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ccc(F)cc1-c1nn[n-]n1 ZINC001588400799 1076446700 /nfs/dbraw/zinc/44/67/00/1076446700.db2.gz GIGVDVILRFSUQT-HZMBPMFUSA-N -1 3 303.341 2.399 20 30 DEEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588402599 1076446798 /nfs/dbraw/zinc/44/67/98/1076446798.db2.gz IUMWCHDIRWBMJN-UHFFFAOYSA-N -1 3 301.350 2.416 20 30 DEEDHM C=C(C)C(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588402599 1076446799 /nfs/dbraw/zinc/44/67/99/1076446799.db2.gz IUMWCHDIRWBMJN-UHFFFAOYSA-N -1 3 301.350 2.416 20 30 DEEDHM C=C(C)CCc1noc(COc2cccc(-c3nnn[n-]3)c2)n1 ZINC001588425874 1076447895 /nfs/dbraw/zinc/44/78/95/1076447895.db2.gz YIUOJQVSRPKBLG-UHFFFAOYSA-N -1 3 312.333 2.337 20 30 DEEDHM C=C(C)CCc1noc(COc2cccc(-c3nn[n-]n3)c2)n1 ZINC001588425874 1076447896 /nfs/dbraw/zinc/44/78/96/1076447896.db2.gz YIUOJQVSRPKBLG-UHFFFAOYSA-N -1 3 312.333 2.337 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588494825 1076450079 /nfs/dbraw/zinc/45/00/79/1076450079.db2.gz XICNTJCBAHLIDS-INIZCTEOSA-N -1 3 315.377 2.094 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588494825 1076450080 /nfs/dbraw/zinc/45/00/80/1076450080.db2.gz XICNTJCBAHLIDS-INIZCTEOSA-N -1 3 315.377 2.094 20 30 DEEDHM C=CC(C)(C)CC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588482389 1076450641 /nfs/dbraw/zinc/45/06/41/1076450641.db2.gz VHUHXGAMZFIQQN-UHFFFAOYSA-N -1 3 305.407 2.489 20 30 DEEDHM C=CC(C)(C)CC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588482389 1076450643 /nfs/dbraw/zinc/45/06/43/1076450643.db2.gz VHUHXGAMZFIQQN-UHFFFAOYSA-N -1 3 305.407 2.489 20 30 DEEDHM C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588527590 1076451692 /nfs/dbraw/zinc/45/16/92/1076451692.db2.gz PMZWIAWCOBFLRN-JKSUJKDBSA-N -1 3 323.400 2.395 20 30 DEEDHM C=CC1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588527590 1076451695 /nfs/dbraw/zinc/45/16/95/1076451695.db2.gz PMZWIAWCOBFLRN-JKSUJKDBSA-N -1 3 323.400 2.395 20 30 DEEDHM C=C[C@H](C)ONC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588518550 1076451727 /nfs/dbraw/zinc/45/17/27/1076451727.db2.gz GCDSDQYCHGVSMD-ZETCQYMHSA-N -1 3 308.729 2.148 20 30 DEEDHM C=C[C@H](C)ONC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588518550 1076451730 /nfs/dbraw/zinc/45/17/30/1076451730.db2.gz GCDSDQYCHGVSMD-ZETCQYMHSA-N -1 3 308.729 2.148 20 30 DEEDHM C=C[C@@H](CC)CC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588526438 1076451760 /nfs/dbraw/zinc/45/17/60/1076451760.db2.gz WLZNKCFTGRMINO-JTQLQIEISA-N -1 3 301.350 2.416 20 30 DEEDHM C=C[C@@H](CC)CC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588526438 1076451761 /nfs/dbraw/zinc/45/17/61/1076451761.db2.gz WLZNKCFTGRMINO-JTQLQIEISA-N -1 3 301.350 2.416 20 30 DEEDHM C=CC[C@H](CC)NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001588540760 1076452915 /nfs/dbraw/zinc/45/29/15/1076452915.db2.gz FFQNQSQOHIQVJY-NSHDSACASA-N -1 3 310.361 2.433 20 30 DEEDHM C=CC[C@H](CC)NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001588540760 1076452919 /nfs/dbraw/zinc/45/29/19/1076452919.db2.gz FFQNQSQOHIQVJY-NSHDSACASA-N -1 3 310.361 2.433 20 30 DEEDHM C=CC[C@@H](CC)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001588542150 1076454080 /nfs/dbraw/zinc/45/40/80/1076454080.db2.gz WZZVFEPESDWLGN-GFCCVEGCSA-N -1 3 317.418 2.430 20 30 DEEDHM C=CC[C@@H](CC)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001588542150 1076454083 /nfs/dbraw/zinc/45/40/83/1076454083.db2.gz WZZVFEPESDWLGN-GFCCVEGCSA-N -1 3 317.418 2.430 20 30 DEEDHM C=CCN(CCC#N)C(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001588632019 1076458404 /nfs/dbraw/zinc/45/84/04/1076458404.db2.gz QDRPTHPCAZSHCM-UHFFFAOYSA-N -1 3 310.361 2.025 20 30 DEEDHM C=CCN(CCC#N)C(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001588632019 1076458405 /nfs/dbraw/zinc/45/84/05/1076458405.db2.gz QDRPTHPCAZSHCM-UHFFFAOYSA-N -1 3 310.361 2.025 20 30 DEEDHM C=CCOCCCC(=O)Oc1ccc(-c2nnn[n-]2)cc1CC ZINC001588683163 1076460321 /nfs/dbraw/zinc/46/03/21/1076460321.db2.gz YVOXVFYNVNXNPB-UHFFFAOYSA-N -1 3 316.361 2.317 20 30 DEEDHM C=CCOCCCC(=O)Oc1ccc(-c2nn[n-]n2)cc1CC ZINC001588683163 1076460325 /nfs/dbraw/zinc/46/03/25/1076460325.db2.gz YVOXVFYNVNXNPB-UHFFFAOYSA-N -1 3 316.361 2.317 20 30 DEEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(CO)c1 ZINC001588780741 1076464602 /nfs/dbraw/zinc/46/46/02/1076464602.db2.gz LUGFBCNGXZZLNF-UHFFFAOYSA-N -1 3 308.345 2.195 20 30 DEEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001589085801 1076474252 /nfs/dbraw/zinc/47/42/52/1076474252.db2.gz IYCLQNYFEQTFJI-CYBMUJFWSA-N -1 3 323.360 2.016 20 30 DEEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001589085801 1076474258 /nfs/dbraw/zinc/47/42/58/1076474258.db2.gz IYCLQNYFEQTFJI-CYBMUJFWSA-N -1 3 323.360 2.016 20 30 DEEDHM CC(C)C[C@@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001589550562 1076497758 /nfs/dbraw/zinc/49/77/58/1076497758.db2.gz LNTOENMAISSFGT-MRVPVSSYSA-N -1 3 303.395 2.242 20 30 DEEDHM CC(C)C[C@@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001589550562 1076497760 /nfs/dbraw/zinc/49/77/60/1076497760.db2.gz LNTOENMAISSFGT-MRVPVSSYSA-N -1 3 303.395 2.242 20 30 DEEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)CCCC#N ZINC001589753577 1076509475 /nfs/dbraw/zinc/50/94/75/1076509475.db2.gz ZYOMSRQGYXSAQK-UHFFFAOYSA-N -1 3 314.349 2.286 20 30 DEEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCC#N ZINC001589753577 1076509479 /nfs/dbraw/zinc/50/94/79/1076509479.db2.gz ZYOMSRQGYXSAQK-UHFFFAOYSA-N -1 3 314.349 2.286 20 30 DEEDHM C[C@H](CC#N)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC001589788471 1076515895 /nfs/dbraw/zinc/51/58/95/1076515895.db2.gz WYYITDJGGUAIPK-MRVPVSSYSA-N -1 3 316.390 2.295 20 30 DEEDHM C[C@H](CC#N)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC001589788471 1076515900 /nfs/dbraw/zinc/51/59/00/1076515900.db2.gz WYYITDJGGUAIPK-MRVPVSSYSA-N -1 3 316.390 2.295 20 30 DEEDHM C[C@@H](NC(=O)c1cscc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001589950899 1076532285 /nfs/dbraw/zinc/53/22/85/1076532285.db2.gz LVSFKWOKHHUHRK-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@@H](NC(=O)c1cscc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001589950899 1076532288 /nfs/dbraw/zinc/53/22/88/1076532288.db2.gz LVSFKWOKHHUHRK-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM CC1(C)CC(=O)C(=CNc2ccccc2-c2nnn[n-]2)C(=O)C1 ZINC001590079532 1076556845 /nfs/dbraw/zinc/55/68/45/1076556845.db2.gz FAKWHARBNCGHQQ-UHFFFAOYSA-N -1 3 311.345 2.121 20 30 DEEDHM CC1(C)CC(=O)C(=CNc2ccccc2-c2nn[n-]n2)C(=O)C1 ZINC001590079532 1076556846 /nfs/dbraw/zinc/55/68/46/1076556846.db2.gz FAKWHARBNCGHQQ-UHFFFAOYSA-N -1 3 311.345 2.121 20 30 DEEDHM CCC(=NN[C@@H]1CCCSC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590358723 1076615136 /nfs/dbraw/zinc/61/51/36/1076615136.db2.gz DVVQEQCTERIEBJ-CYBMUJFWSA-N -1 3 316.434 2.466 20 30 DEEDHM CCC(=NN[C@@H]1CCCSC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590358723 1076615139 /nfs/dbraw/zinc/61/51/39/1076615139.db2.gz DVVQEQCTERIEBJ-CYBMUJFWSA-N -1 3 316.434 2.466 20 30 DEEDHM CCC(C#N)(CC)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001590367685 1076616529 /nfs/dbraw/zinc/61/65/29/1076616529.db2.gz WHIGHVDILFAIBE-UHFFFAOYSA-N -1 3 315.333 2.111 20 30 DEEDHM CCC(C#N)(CC)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001590367685 1076616530 /nfs/dbraw/zinc/61/65/30/1076616530.db2.gz WHIGHVDILFAIBE-UHFFFAOYSA-N -1 3 315.333 2.111 20 30 DEEDHM CCOCCON=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001590816124 1076680064 /nfs/dbraw/zinc/68/00/64/1076680064.db2.gz ATHCZJKWPRPDRW-UHFFFAOYSA-N -1 3 315.377 2.350 20 30 DEEDHM CCOCCON=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001590816124 1076680066 /nfs/dbraw/zinc/68/00/66/1076680066.db2.gz ATHCZJKWPRPDRW-UHFFFAOYSA-N -1 3 315.377 2.350 20 30 DEEDHM CN(C)c1ccc(C=[NH+][N-]c2ccc(-c3nn[n-]n3)cc2)s1 ZINC001591031564 1076704529 /nfs/dbraw/zinc/70/45/29/1076704529.db2.gz NZKXJHOCORRRBD-UHFFFAOYSA-N -1 3 313.390 2.440 20 30 DEEDHM COC(=O)c1coc(C=CC(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC001591307899 1076719995 /nfs/dbraw/zinc/71/99/95/1076719995.db2.gz SKHWAKHXFXFGNU-SREVYHEPSA-N -1 3 324.296 2.142 20 30 DEEDHM COC(=O)c1coc(C=CC(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001591307899 1076719998 /nfs/dbraw/zinc/71/99/98/1076719998.db2.gz SKHWAKHXFXFGNU-SREVYHEPSA-N -1 3 324.296 2.142 20 30 DEEDHM COC1CCC(C=NNCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591347734 1076730551 /nfs/dbraw/zinc/73/05/51/1076730551.db2.gz JCOLSASGBRIADA-UHFFFAOYSA-N -1 3 314.393 2.147 20 30 DEEDHM COC1CCC(C=NNCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591347734 1076730555 /nfs/dbraw/zinc/73/05/55/1076730555.db2.gz JCOLSASGBRIADA-UHFFFAOYSA-N -1 3 314.393 2.147 20 30 DEEDHM COc1cc(C=NN[C@H]2CCCC2(C)C)ccc1-c1nnn[n-]1 ZINC001591522172 1076753839 /nfs/dbraw/zinc/75/38/39/1076753839.db2.gz CAIMZUNAEXVAAC-AWEZNQCLSA-N -1 3 314.393 2.378 20 30 DEEDHM COc1cc(C=NN[C@H]2CCCC2(C)C)ccc1-c1nn[n-]n1 ZINC001591522172 1076753843 /nfs/dbraw/zinc/75/38/43/1076753843.db2.gz CAIMZUNAEXVAAC-AWEZNQCLSA-N -1 3 314.393 2.378 20 30 DEEDHM COc1ccc(-c2nn[n-]n2)cc1CSc1cccnc1C#N ZINC001591564587 1076758517 /nfs/dbraw/zinc/75/85/17/1076758517.db2.gz HZRGSINXBXKGCG-UHFFFAOYSA-N -1 3 324.369 2.434 20 30 DEEDHM COc1cccc(C=NCc2ccc(-c3nnn[n-]3)cc2)c1O ZINC001591634451 1076767113 /nfs/dbraw/zinc/76/71/13/1076767113.db2.gz FEINTKVEADEZSV-YVLHZVERSA-N -1 3 309.329 2.200 20 30 DEEDHM COc1cccc(C=NCc2ccc(-c3nn[n-]n3)cc2)c1O ZINC001591634451 1076767115 /nfs/dbraw/zinc/76/71/15/1076767115.db2.gz FEINTKVEADEZSV-YVLHZVERSA-N -1 3 309.329 2.200 20 30 DEEDHM Cc1c(C(=O)Nc2ccc(CC#N)cc2)cccc1-c1nnn[n-]1 ZINC001591812154 1076787495 /nfs/dbraw/zinc/78/74/95/1076787495.db2.gz FQNNZHOJADGMCK-UHFFFAOYSA-N -1 3 318.340 2.494 20 30 DEEDHM Cc1c(C(=O)Nc2ccc(CC#N)cc2)cccc1-c1nn[n-]n1 ZINC001591812154 1076787496 /nfs/dbraw/zinc/78/74/96/1076787496.db2.gz FQNNZHOJADGMCK-UHFFFAOYSA-N -1 3 318.340 2.494 20 30 DEEDHM Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC001592122791 1076852576 /nfs/dbraw/zinc/85/25/76/1076852576.db2.gz GGGQXMWAJVSIPM-PIGZYNQJSA-N -1 3 324.388 2.377 20 30 DEEDHM Cc1ccc(C(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1-c1nn[n-]n1 ZINC001592122791 1076852580 /nfs/dbraw/zinc/85/25/80/1076852580.db2.gz GGGQXMWAJVSIPM-PIGZYNQJSA-N -1 3 324.388 2.377 20 30 DEEDHM Cc1cccnc1N=NC1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001592264107 1076884593 /nfs/dbraw/zinc/88/45/93/1076884593.db2.gz NINUDFOTGSOAAV-UHFFFAOYSA-N -1 3 320.360 2.118 20 30 DEEDHM Cc1cccnc1N=NCc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC001592263587 1076885653 /nfs/dbraw/zinc/88/56/53/1076885653.db2.gz BMKJMRCSDCEMGI-UHFFFAOYSA-N -1 3 318.344 2.497 20 30 DEEDHM Cc1csc(NC(=O)NCC2(C#N)CCC2)c1-c1nnn[n-]1 ZINC001592318758 1076895642 /nfs/dbraw/zinc/89/56/42/1076895642.db2.gz JDVCYQLIMLUMEA-UHFFFAOYSA-N -1 3 317.378 2.052 20 30 DEEDHM Cc1csc(NC(=O)NCC2(C#N)CCC2)c1-c1nn[n-]n1 ZINC001592318758 1076895646 /nfs/dbraw/zinc/89/56/46/1076895646.db2.gz JDVCYQLIMLUMEA-UHFFFAOYSA-N -1 3 317.378 2.052 20 30 DEEDHM Cc1nc(Oc2cccnc2C#N)c(Cl)cc1-c1nnn[n-]1 ZINC001592397233 1076909775 /nfs/dbraw/zinc/90/97/75/1076909775.db2.gz KSWJXOHULAOCCO-UHFFFAOYSA-N -1 3 313.708 2.283 20 30 DEEDHM Cc1nc(Oc2cccnc2C#N)c(Cl)cc1-c1nn[n-]n1 ZINC001592397233 1076909778 /nfs/dbraw/zinc/90/97/78/1076909778.db2.gz KSWJXOHULAOCCO-UHFFFAOYSA-N -1 3 313.708 2.283 20 30 DEEDHM Cc1nnc(N[C@@H](C)c2ccc(C#N)cc2)c(-c2nnn[n-]2)c1C ZINC001592447803 1076914773 /nfs/dbraw/zinc/91/47/73/1076914773.db2.gz WJGIFCYHBJIDNL-NSHDSACASA-N -1 3 320.360 2.318 20 30 DEEDHM Cc1nnc(N[C@@H](C)c2ccc(C#N)cc2)c(-c2nn[n-]n2)c1C ZINC001592447803 1076914778 /nfs/dbraw/zinc/91/47/78/1076914778.db2.gz WJGIFCYHBJIDNL-NSHDSACASA-N -1 3 320.360 2.318 20 30 DEEDHM Fc1cc(-c2nnn[n-]2)cc(F)c1C=NO[C@@H]1CCCCO1 ZINC001592634796 1076938159 /nfs/dbraw/zinc/93/81/59/1076938159.db2.gz IARVWCQBIHAOBS-GFCCVEGCSA-N -1 3 309.276 2.022 20 30 DEEDHM Fc1cc(-c2nn[n-]n2)cc(F)c1C=NO[C@@H]1CCCCO1 ZINC001592634796 1076938161 /nfs/dbraw/zinc/93/81/61/1076938161.db2.gz IARVWCQBIHAOBS-GFCCVEGCSA-N -1 3 309.276 2.022 20 30 DEEDHM N#C[C@H]1CCC[C@H](OC(=O)c2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001592672409 1076949028 /nfs/dbraw/zinc/94/90/28/1076949028.db2.gz HPXGTUMJMCUILQ-ONGXEEELSA-N -1 3 315.308 2.245 20 30 DEEDHM N#C[C@H]1CCC[C@H](OC(=O)c2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001592672409 1076949030 /nfs/dbraw/zinc/94/90/30/1076949030.db2.gz HPXGTUMJMCUILQ-ONGXEEELSA-N -1 3 315.308 2.245 20 30 DEEDHM N#CC1(CNc2cccc(-n3cccc3)c2-c2nnn[n-]2)CC1 ZINC001592669821 1076949286 /nfs/dbraw/zinc/94/92/86/1076949286.db2.gz NYZUYBIIVSDZBX-UHFFFAOYSA-N -1 3 305.345 2.373 20 30 DEEDHM N#CC1(CNc2cccc(-n3cccc3)c2-c2nn[n-]n2)CC1 ZINC001592669821 1076949287 /nfs/dbraw/zinc/94/92/87/1076949287.db2.gz NYZUYBIIVSDZBX-UHFFFAOYSA-N -1 3 305.345 2.373 20 30 DEEDHM N#CCC[C@@H](C#N)COc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001592675059 1076950242 /nfs/dbraw/zinc/95/02/42/1076950242.db2.gz PYAGXEFTLJPGMT-VIFPVBQESA-N -1 3 302.725 2.342 20 30 DEEDHM N#CCC[C@@H](C#N)COc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001592675059 1076950245 /nfs/dbraw/zinc/95/02/45/1076950245.db2.gz PYAGXEFTLJPGMT-VIFPVBQESA-N -1 3 302.725 2.342 20 30 DEEDHM N#CCCCCC(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592675545 1076951061 /nfs/dbraw/zinc/95/10/61/1076951061.db2.gz WWGBBENHTBOUSR-UHFFFAOYSA-N -1 3 310.361 2.230 20 30 DEEDHM N#CCCCCC(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592675545 1076951064 /nfs/dbraw/zinc/95/10/64/1076951064.db2.gz WWGBBENHTBOUSR-UHFFFAOYSA-N -1 3 310.361 2.230 20 30 DEEDHM N#Cc1cc(COc2cc(Cl)cc(-c3nnn[n-]3)c2)ccn1 ZINC001592688329 1076952888 /nfs/dbraw/zinc/95/28/88/1076952888.db2.gz RERMPWFHZFYKQD-UHFFFAOYSA-N -1 3 312.720 2.366 20 30 DEEDHM N#Cc1cc(COc2cc(Cl)cc(-c3nn[n-]n3)c2)ccn1 ZINC001592688329 1076952892 /nfs/dbraw/zinc/95/28/92/1076952892.db2.gz RERMPWFHZFYKQD-UHFFFAOYSA-N -1 3 312.720 2.366 20 30 DEEDHM N#Cc1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)nc1 ZINC001592694437 1076953210 /nfs/dbraw/zinc/95/32/10/1076953210.db2.gz SQVFGGILJSWQIM-UHFFFAOYSA-N -1 3 312.720 2.366 20 30 DEEDHM N#Cc1ccc(COc2ccc(-c3nn[n-]n3)cc2Cl)nc1 ZINC001592694437 1076953214 /nfs/dbraw/zinc/95/32/14/1076953214.db2.gz SQVFGGILJSWQIM-UHFFFAOYSA-N -1 3 312.720 2.366 20 30 DEEDHM N#Cc1ccc(CNc2cc(-c3nnn[n-]3)ccn2)cc1Cl ZINC001592694442 1076953339 /nfs/dbraw/zinc/95/33/39/1076953339.db2.gz TXUGXXIMJOALAY-UHFFFAOYSA-N -1 3 311.736 2.399 20 30 DEEDHM N#Cc1ccc(CNc2cc(-c3nn[n-]n3)ccn2)cc1Cl ZINC001592694442 1076953343 /nfs/dbraw/zinc/95/33/43/1076953343.db2.gz TXUGXXIMJOALAY-UHFFFAOYSA-N -1 3 311.736 2.399 20 30 DEEDHM N#Cc1cc(N[C@@H]2CCCc3cc(-c4nnn[n-]4)ccc32)ncn1 ZINC001592689899 1076953655 /nfs/dbraw/zinc/95/36/55/1076953655.db2.gz FVSLQZVVKUMUIZ-CQSZACIVSA-N -1 3 318.344 2.018 20 30 DEEDHM N#Cc1cc(N[C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)ncn1 ZINC001592689899 1076953660 /nfs/dbraw/zinc/95/36/60/1076953660.db2.gz FVSLQZVVKUMUIZ-CQSZACIVSA-N -1 3 318.344 2.018 20 30 DEEDHM N#Cc1ccc(OCc2cc(-c3nnn[n-]3)ccn2)cc1Cl ZINC001592695791 1076954669 /nfs/dbraw/zinc/95/46/69/1076954669.db2.gz LWCFOYBXEMEOCG-UHFFFAOYSA-N -1 3 312.720 2.366 20 30 DEEDHM N#Cc1ccc(OCc2cc(-c3nn[n-]n3)ccn2)cc1Cl ZINC001592695791 1076954674 /nfs/dbraw/zinc/95/46/74/1076954674.db2.gz LWCFOYBXEMEOCG-UHFFFAOYSA-N -1 3 312.720 2.366 20 30 DEEDHM N#Cc1ccccc1COC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592701878 1076955763 /nfs/dbraw/zinc/95/57/63/1076955763.db2.gz QSILXNPVEFDOSC-UHFFFAOYSA-N -1 3 319.324 2.024 20 30 DEEDHM N#Cc1ccccc1COC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592701878 1076955766 /nfs/dbraw/zinc/95/57/66/1076955766.db2.gz QSILXNPVEFDOSC-UHFFFAOYSA-N -1 3 319.324 2.024 20 30 DEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001609051276 1077748571 /nfs/dbraw/zinc/74/85/71/1077748571.db2.gz UQRBFUZAGWGNDJ-BXKDBHETSA-N -1 3 320.784 2.308 20 30 DEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001609051276 1077748576 /nfs/dbraw/zinc/74/85/76/1077748576.db2.gz UQRBFUZAGWGNDJ-BXKDBHETSA-N -1 3 320.784 2.308 20 30 DEEDHM C=C[C@H](C)OC(=O)C1(c2cc(F)cc(-c3nnn[n-]3)c2)CC1 ZINC001609052644 1077749307 /nfs/dbraw/zinc/74/93/07/1077749307.db2.gz LKHQXIWENDRZKN-VIFPVBQESA-N -1 3 302.309 2.155 20 30 DEEDHM C=C[C@H](C)OC(=O)C1(c2cc(F)cc(-c3nn[n-]n3)c2)CC1 ZINC001609052644 1077749312 /nfs/dbraw/zinc/74/93/12/1077749312.db2.gz LKHQXIWENDRZKN-VIFPVBQESA-N -1 3 302.309 2.155 20 30 DEEDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1N1CCC[C@@](C)(C#N)C1 ZINC001609066629 1077753797 /nfs/dbraw/zinc/75/37/97/1077753797.db2.gz JTCCTUYCLNWCBR-INIZCTEOSA-N -1 3 310.361 2.199 20 30 DEEDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1N1CCC[C@@](C)(C#N)C1 ZINC001609066629 1077753801 /nfs/dbraw/zinc/75/38/01/1077753801.db2.gz JTCCTUYCLNWCBR-INIZCTEOSA-N -1 3 310.361 2.199 20 30 DEEDHM COc1cc(OCc2cccc(C#N)c2)cc(-c2nnn[n-]2)c1 ZINC001609348051 1077837945 /nfs/dbraw/zinc/83/79/45/1077837945.db2.gz BJYSCUKSGCAGEU-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM COc1cc(OCc2cccc(C#N)c2)cc(-c2nn[n-]n2)c1 ZINC001609348051 1077837947 /nfs/dbraw/zinc/83/79/47/1077837947.db2.gz BJYSCUKSGCAGEU-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM COc1cc(OCC#Cc2ccccc2)cc(-c2nnn[n-]2)c1 ZINC001609347907 1077838007 /nfs/dbraw/zinc/83/80/07/1077838007.db2.gz UIGFWWAOJBXZHD-UHFFFAOYSA-N -1 3 306.325 2.306 20 30 DEEDHM COc1cc(OCC#Cc2ccccc2)cc(-c2nn[n-]n2)c1 ZINC001609347907 1077838014 /nfs/dbraw/zinc/83/80/14/1077838014.db2.gz UIGFWWAOJBXZHD-UHFFFAOYSA-N -1 3 306.325 2.306 20 30 DEEDHM Cc1c(C#N)cccc1C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001609379920 1077845633 /nfs/dbraw/zinc/84/56/33/1077845633.db2.gz XPYOGYAKFVTPSA-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1c(C#N)cccc1C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001609379920 1077845637 /nfs/dbraw/zinc/84/56/37/1077845637.db2.gz XPYOGYAKFVTPSA-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM N#CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001609495387 1077870289 /nfs/dbraw/zinc/87/02/89/1077870289.db2.gz JSKQRHIHJIPMKS-UHFFFAOYSA-N -1 3 304.313 2.037 20 30 DEEDHM N#CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001609495387 1077870291 /nfs/dbraw/zinc/87/02/91/1077870291.db2.gz JSKQRHIHJIPMKS-UHFFFAOYSA-N -1 3 304.313 2.037 20 30 DEEDHM N#CCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001609494325 1077870509 /nfs/dbraw/zinc/87/05/09/1077870509.db2.gz BMDLACRGYDIXFW-UHFFFAOYSA-N -1 3 311.349 2.073 20 30 DEEDHM N#Cc1ccc(CNc2cnccc2-c2nnn[n-]2)cc1Cl ZINC001609498778 1077871134 /nfs/dbraw/zinc/87/11/34/1077871134.db2.gz ZRXBJGANDSUELC-UHFFFAOYSA-N -1 3 311.736 2.399 20 30 DEEDHM N#Cc1ccc(CNc2cnccc2-c2nn[n-]n2)cc1Cl ZINC001609498778 1077871137 /nfs/dbraw/zinc/87/11/37/1077871137.db2.gz ZRXBJGANDSUELC-UHFFFAOYSA-N -1 3 311.736 2.399 20 30 DEEDHM N#Cc1ccc2c(c1)N(Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC001609499452 1077871430 /nfs/dbraw/zinc/87/14/30/1077871430.db2.gz QRMHGVQJIXGEPG-UHFFFAOYSA-N -1 3 320.331 2.440 20 30 DEEDHM N#Cc1ccc2c(c1)N(Cc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC001609499452 1077871435 /nfs/dbraw/zinc/87/14/35/1077871435.db2.gz QRMHGVQJIXGEPG-UHFFFAOYSA-N -1 3 320.331 2.440 20 30 DEEDHM C=CCn1cc(CNCc2cccc([O-])c2Br)nn1 ZINC001651239179 1079797279 /nfs/dbraw/zinc/79/72/79/1079797279.db2.gz IZYLRTZYYHLPEV-UHFFFAOYSA-N -1 3 323.194 2.222 20 30 DEEDHM C[C@@H](NC(=O)C#Cc1cccs1)c1nc(C(F)(F)F)n[n-]1 ZINC001652799584 1079897400 /nfs/dbraw/zinc/89/74/00/1079897400.db2.gz TZAYRATUDOEOCG-SSDOTTSWSA-N -1 3 314.292 2.114 20 30 DEEDHM N#Cc1cccnc1NC/C=C/CNC(=O)c1ccccc1[O-] ZINC001107047069 1080558966 /nfs/dbraw/zinc/55/89/66/1080558966.db2.gz LINQHDLHLCIQEN-ONEGZZNKSA-N -1 3 308.341 2.057 20 30 DEEDHM N#CC1(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)CCC1 ZINC001625786662 1081934722 /nfs/dbraw/zinc/93/47/22/1081934722.db2.gz LITVHAWOVORPCZ-UHFFFAOYSA-N -1 3 301.733 2.358 20 30 DEEDHM C#CC1([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)CCCC1 ZINC001671139302 1083405876 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STWVLOQSZBZEFG-UHFFFAOYSA-N -1 3 300.366 2.471 20 30 DEEDHM COCC(N=Nc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC001591364140 1076734531 /nfs/dbraw/zinc/73/45/31/1076734531.db2.gz STWVLOQSZBZEFG-UHFFFAOYSA-N -1 3 300.366 2.471 20 30 DEEDHM COc1cc(CNc2cccc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001591535287 1076754657 /nfs/dbraw/zinc/75/46/57/1076754657.db2.gz CJGICWRWNSSJGU-UHFFFAOYSA-N -1 3 306.329 2.359 20 30 DEEDHM COc1cc(CNc2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001591535287 1076754660 /nfs/dbraw/zinc/75/46/60/1076754660.db2.gz CJGICWRWNSSJGU-UHFFFAOYSA-N -1 3 306.329 2.359 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(N(C)CCc2cccc(C#N)c2)n1 ZINC001591855239 1076795707 /nfs/dbraw/zinc/79/57/07/1076795707.db2.gz SJICLNWDSVLVKT-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(N(C)CCc2cccc(C#N)c2)n1 ZINC001591855239 1076795710 /nfs/dbraw/zinc/79/57/10/1076795710.db2.gz SJICLNWDSVLVKT-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(NCC3(C#N)CCC3)c2c1 ZINC001592208938 1076876687 /nfs/dbraw/zinc/87/66/87/1076876687.db2.gz OWKNSBJCQLVXRU-UHFFFAOYSA-N -1 3 319.372 2.251 20 30 DEEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(NCC3(C#N)CCC3)c2c1 ZINC001592208938 1076876689 /nfs/dbraw/zinc/87/66/89/1076876689.db2.gz OWKNSBJCQLVXRU-UHFFFAOYSA-N -1 3 319.372 2.251 20 30 DEEDHM Cc1cccc(CCNc2c(C#N)cccc2-c2nnn[n-]2)n1 ZINC001592229984 1076878928 /nfs/dbraw/zinc/87/89/28/1076878928.db2.gz VWWPSQLKLNTVAM-UHFFFAOYSA-N -1 3 305.345 2.096 20 30 DEEDHM Cc1cccc(CCNc2c(C#N)cccc2-c2nn[n-]n2)n1 ZINC001592229984 1076878934 /nfs/dbraw/zinc/87/89/34/1076878934.db2.gz VWWPSQLKLNTVAM-UHFFFAOYSA-N -1 3 305.345 2.096 20 30 DEEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592427625 1076911720 /nfs/dbraw/zinc/91/17/20/1076911720.db2.gz LRQWVTOYHANYPD-TWGQIWQCSA-N -1 3 308.345 2.113 20 30 DEEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592427625 1076911721 /nfs/dbraw/zinc/91/17/21/1076911721.db2.gz LRQWVTOYHANYPD-TWGQIWQCSA-N -1 3 308.345 2.113 20 30 DEEDHM Cc1nocc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001592465309 1076915569 /nfs/dbraw/zinc/91/55/69/1076915569.db2.gz JZKHFBLWFFSMPB-UHFFFAOYSA-N -1 3 303.713 2.263 20 30 DEEDHM Cc1nocc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001592465309 1076915572 /nfs/dbraw/zinc/91/55/72/1076915572.db2.gz JZKHFBLWFFSMPB-UHFFFAOYSA-N -1 3 303.713 2.263 20 30 DEEDHM N#CC1(CNc2ccc(-c3nn[n-]n3)cc2Cl)CCOCC1 ZINC001592669946 1076949412 /nfs/dbraw/zinc/94/94/12/1076949412.db2.gz PHHGONRLQBQJFP-UHFFFAOYSA-N -1 3 318.768 2.252 20 30 DEEDHM N#CCCCCCC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001592675452 1076950467 /nfs/dbraw/zinc/95/04/67/1076950467.db2.gz UEGKJNGINUYIQF-UHFFFAOYSA-N -1 3 302.313 2.418 20 30 DEEDHM N#CCCCCCC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001592675452 1076950470 /nfs/dbraw/zinc/95/04/70/1076950470.db2.gz UEGKJNGINUYIQF-UHFFFAOYSA-N -1 3 302.313 2.418 20 30 DEEDHM N#CCCCOc1ccc(Br)c(-c2nnn[n-]2)c1 ZINC001592676174 1076952038 /nfs/dbraw/zinc/95/20/38/1076952038.db2.gz CVOAQUMDCBAZLQ-UHFFFAOYSA-N -1 3 308.139 2.312 20 30 DEEDHM N#CCCCOc1ccc(Br)c(-c2nn[n-]n2)c1 ZINC001592676174 1076952042 /nfs/dbraw/zinc/95/20/42/1076952042.db2.gz CVOAQUMDCBAZLQ-UHFFFAOYSA-N -1 3 308.139 2.312 20 30 DEEDHM N#CCc1ccnc(NCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001592681263 1076952290 /nfs/dbraw/zinc/95/22/90/1076952290.db2.gz ZIMCFCRVGSOGRA-UHFFFAOYSA-N -1 3 309.308 2.079 20 30 DEEDHM N#CCc1ccnc(NCc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001592681263 1076952293 /nfs/dbraw/zinc/95/22/93/1076952293.db2.gz ZIMCFCRVGSOGRA-UHFFFAOYSA-N -1 3 309.308 2.079 20 30 DEEDHM N#Cc1cc(NCc2cccc(-c3nnn[n-]3)c2)nc(C2CC2)n1 ZINC001592690168 1076953075 /nfs/dbraw/zinc/95/30/75/1076953075.db2.gz NWQUPFWOUSUOGS-UHFFFAOYSA-N -1 3 318.344 2.018 20 30 DEEDHM N#Cc1cc(NCc2cccc(-c3nn[n-]n3)c2)nc(C2CC2)n1 ZINC001592690168 1076953078 /nfs/dbraw/zinc/95/30/78/1076953078.db2.gz NWQUPFWOUSUOGS-UHFFFAOYSA-N -1 3 318.344 2.018 20 30 DEEDHM N#Cc1ccc2c(c1)CCC[C@H]2Nc1ncncc1-c1nnn[n-]1 ZINC001592697716 1076953940 /nfs/dbraw/zinc/95/39/40/1076953940.db2.gz OWLZNUINBPUGSI-CQSZACIVSA-N -1 3 318.344 2.018 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC(C(F)F)CC1 ZINC001592698103 1076954799 /nfs/dbraw/zinc/95/47/99/1076954799.db2.gz IBMXOGXTMBVSNO-UHFFFAOYSA-N -1 3 304.304 2.220 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC(C(F)F)CC1 ZINC001592698103 1076954802 /nfs/dbraw/zinc/95/48/02/1076954802.db2.gz IBMXOGXTMBVSNO-UHFFFAOYSA-N -1 3 304.304 2.220 20 30 DEEDHM N#Cc1ccnc(N[C@H]2CCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001592702750 1076955675 /nfs/dbraw/zinc/95/56/75/1076955675.db2.gz YMVUTRZAAZRVIK-AWEZNQCLSA-N -1 3 303.329 2.233 20 30 DEEDHM N#Cc1ccnc(N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001592702750 1076955677 /nfs/dbraw/zinc/95/56/77/1076955677.db2.gz YMVUTRZAAZRVIK-AWEZNQCLSA-N -1 3 303.329 2.233 20 30 DEEDHM O=C(C=Cc1cc(F)ncc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001592791352 1076959526 /nfs/dbraw/zinc/95/95/26/1076959526.db2.gz JOJXUJCQIOFDPD-AATRIKPKSA-N -1 3 313.267 2.436 20 30 DEEDHM O=C(C=Cc1cc(F)ncc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001592791352 1076959530 /nfs/dbraw/zinc/95/95/30/1076959530.db2.gz JOJXUJCQIOFDPD-AATRIKPKSA-N -1 3 313.267 2.436 20 30 DEEDHM N#CCOc1cccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001601075173 1077331447 /nfs/dbraw/zinc/33/14/47/1077331447.db2.gz CCMHMTCCTGGXQD-KRWDZBQOSA-N -1 3 321.336 2.376 20 30 DEEDHM N#CC(C(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc2c(cccc2Cl)[nH]1 ZINC001608169843 1077602443 /nfs/dbraw/zinc/60/24/43/1077602443.db2.gz DLHDEAQZJXWTRL-XLPZGREQSA-N -1 3 303.705 2.113 20 30 DEEDHM C#CCN(C(=O)c1sccc1-c1nnn[n-]1)C1CCCCC1 ZINC001609021045 1077742301 /nfs/dbraw/zinc/74/23/01/1077742301.db2.gz ZMIWMYZCLWRKSJ-UHFFFAOYSA-N -1 3 315.402 2.336 20 30 DEEDHM C#CCN(C(=O)c1sccc1-c1nn[n-]n1)C1CCCCC1 ZINC001609021045 1077742305 /nfs/dbraw/zinc/74/23/05/1077742305.db2.gz ZMIWMYZCLWRKSJ-UHFFFAOYSA-N -1 3 315.402 2.336 20 30 DEEDHM C=C(Br)CNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001609051383 1077748717 /nfs/dbraw/zinc/74/87/17/1077748717.db2.gz XNQVXZLKRDRNER-UHFFFAOYSA-N -1 3 309.171 2.199 20 30 DEEDHM C=C(Br)CNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001609051383 1077748720 /nfs/dbraw/zinc/74/87/20/1077748720.db2.gz XNQVXZLKRDRNER-UHFFFAOYSA-N -1 3 309.171 2.199 20 30 DEEDHM C=C[C@H]1CCCCN1C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609053034 1077749749 /nfs/dbraw/zinc/74/97/49/1077749749.db2.gz ZRTSYUFDRYOXOZ-NSHDSACASA-N -1 3 301.325 2.187 20 30 DEEDHM C=C[C@H]1CCCCN1C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609053034 1077749753 /nfs/dbraw/zinc/74/97/53/1077749753.db2.gz ZRTSYUFDRYOXOZ-NSHDSACASA-N -1 3 301.325 2.187 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001609052387 1077750145 /nfs/dbraw/zinc/75/01/45/1077750145.db2.gz ZYEFYSSMMNIMSP-HNNXBMFYSA-N -1 3 302.334 2.383 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001609052387 1077750147 /nfs/dbraw/zinc/75/01/47/1077750147.db2.gz ZYEFYSSMMNIMSP-HNNXBMFYSA-N -1 3 302.334 2.383 20 30 DEEDHM C=CCN(CCC#N)CCCOc1cccc(-c2nnn[n-]2)c1 ZINC001609055594 1077750712 /nfs/dbraw/zinc/75/07/12/1077750712.db2.gz KVKOAAZOXGXNPO-UHFFFAOYSA-N -1 3 312.377 2.037 20 30 DEEDHM C=CCN(CCC#N)CCCOc1cccc(-c2nn[n-]n2)c1 ZINC001609055594 1077750717 /nfs/dbraw/zinc/75/07/17/1077750717.db2.gz KVKOAAZOXGXNPO-UHFFFAOYSA-N -1 3 312.377 2.037 20 30 DEEDHM CCC(=NNC[C@@H]1CCSC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609180898 1077786347 /nfs/dbraw/zinc/78/63/47/1077786347.db2.gz PYBTTYUJKHZAIH-NSHDSACASA-N -1 3 316.434 2.324 20 30 DEEDHM CCC(=NNC[C@@H]1CCSC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609180898 1077786352 /nfs/dbraw/zinc/78/63/52/1077786352.db2.gz PYBTTYUJKHZAIH-NSHDSACASA-N -1 3 316.434 2.324 20 30 DEEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)o1 ZINC001609230378 1077808107 /nfs/dbraw/zinc/80/81/07/1077808107.db2.gz GDDFPXCABAFJJQ-UHFFFAOYSA-N -1 3 323.316 2.015 20 30 DEEDHM COC(=O)c1occc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001609306950 1077828099 /nfs/dbraw/zinc/82/80/99/1077828099.db2.gz JCLFSDFCPONEOP-VOTSOKGWSA-N -1 3 324.296 2.142 20 30 DEEDHM COC(=O)c1occc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001609306950 1077828101 /nfs/dbraw/zinc/82/81/01/1077828101.db2.gz JCLFSDFCPONEOP-VOTSOKGWSA-N -1 3 324.296 2.142 20 30 DEEDHM Cc1cc(COC(=O)C#Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC001609402237 1077851588 /nfs/dbraw/zinc/85/15/88/1077851588.db2.gz VBSSWEKNCLWVRH-UHFFFAOYSA-N -1 3 318.336 2.270 20 30 DEEDHM Cc1cc(COC(=O)C#Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC001609402237 1077851589 /nfs/dbraw/zinc/85/15/89/1077851589.db2.gz VBSSWEKNCLWVRH-UHFFFAOYSA-N -1 3 318.336 2.270 20 30 DEEDHM Cc1cc(N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)cc(C#N)n1 ZINC001609408829 1077852981 /nfs/dbraw/zinc/85/29/81/1077852981.db2.gz NADLRIOKUYLXSI-NSHDSACASA-N -1 3 305.345 2.037 20 30 DEEDHM Cc1cc(N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)cc(C#N)n1 ZINC001609408829 1077852983 /nfs/dbraw/zinc/85/29/83/1077852983.db2.gz NADLRIOKUYLXSI-NSHDSACASA-N -1 3 305.345 2.037 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CCCCS1 ZINC001609500007 1077871625 /nfs/dbraw/zinc/87/16/25/1077871625.db2.gz URCFKFBSVHTNBB-LLVKDONJSA-N -1 3 300.391 2.436 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CCCCS1 ZINC001609500007 1077871629 /nfs/dbraw/zinc/87/16/29/1077871629.db2.gz URCFKFBSVHTNBB-LLVKDONJSA-N -1 3 300.391 2.436 20 30 DEEDHM N#Cc1ccccc1CN1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001609500370 1077872101 /nfs/dbraw/zinc/87/21/01/1077872101.db2.gz VCWVSZXEOMYSIO-UHFFFAOYSA-N -1 3 302.341 2.301 20 30 DEEDHM N#Cc1ccccc1CN1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001609500370 1077872102 /nfs/dbraw/zinc/87/21/02/1077872102.db2.gz VCWVSZXEOMYSIO-UHFFFAOYSA-N -1 3 302.341 2.301 20 30 DEEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCO2 ZINC001609517826 1077872801 /nfs/dbraw/zinc/87/28/01/1077872801.db2.gz QDJIPGYXPHSPNB-XQRVVYSFSA-N -1 3 320.308 2.492 20 30 DEEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCO2 ZINC001609517826 1077872804 /nfs/dbraw/zinc/87/28/04/1077872804.db2.gz QDJIPGYXPHSPNB-XQRVVYSFSA-N -1 3 320.308 2.492 20 30 DEEDHM C=CCS(=O)(=O)[N-]c1ccc(Br)cc1OC ZINC000710957895 1081181286 /nfs/dbraw/zinc/18/12/86/1081181286.db2.gz GRFVPBMFJTTZHJ-UHFFFAOYSA-N -1 3 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N#CCc1cccc(NC(=O)c2c[n-]c3ccccc3c2=O)n1 ZINC001583314594 1076254999 /nfs/dbraw/zinc/25/49/99/1076254999.db2.gz YQIZODYGLIYCKE-UHFFFAOYSA-N -1 3 304.309 2.241 20 30 DEEDHM C#C[C@@H](C)NC(=O)c1sc2ccc(-c3nnn[n-]3)cc2c1C ZINC001588326766 1076440364 /nfs/dbraw/zinc/44/03/64/1076440364.db2.gz UOYPVQBTCUGZBJ-MRVPVSSYSA-N -1 3 311.370 2.141 20 30 DEEDHM C#C[C@@H](C)NC(=O)c1sc2ccc(-c3nn[n-]n3)cc2c1C ZINC001588326766 1076440366 /nfs/dbraw/zinc/44/03/66/1076440366.db2.gz UOYPVQBTCUGZBJ-MRVPVSSYSA-N -1 3 311.370 2.141 20 30 DEEDHM C#CCC(C)(C)C(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001588330468 1076441554 /nfs/dbraw/zinc/44/15/54/1076441554.db2.gz DMJWXGASBBUULI-UHFFFAOYSA-N -1 3 317.324 2.002 20 30 DEEDHM C#CCC(C)(C)C(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001588330468 1076441557 /nfs/dbraw/zinc/44/15/57/1076441557.db2.gz DMJWXGASBBUULI-UHFFFAOYSA-N -1 3 317.324 2.002 20 30 DEEDHM C#CC[C@H]1CCN(c2nc(C(C)(C)C)ccc2-c2nnn[n-]2)C1 ZINC001588336522 1076442624 /nfs/dbraw/zinc/44/26/24/1076442624.db2.gz BQCBSMFSMJMVDM-LBPRGKRZSA-N -1 3 310.405 2.409 20 30 DEEDHM C#CC[C@H]1CCN(c2nc(C(C)(C)C)ccc2-c2nn[n-]n2)C1 ZINC001588336522 1076442626 /nfs/dbraw/zinc/44/26/26/1076442626.db2.gz BQCBSMFSMJMVDM-LBPRGKRZSA-N -1 3 310.405 2.409 20 30 DEEDHM C#CCCCCNC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001588345675 1076443464 /nfs/dbraw/zinc/44/34/64/1076443464.db2.gz IHIMFXHHCUMTAP-UHFFFAOYSA-N -1 3 316.340 2.239 20 30 DEEDHM C#CCCCCNC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001588345675 1076443466 /nfs/dbraw/zinc/44/34/66/1076443466.db2.gz IHIMFXHHCUMTAP-UHFFFAOYSA-N -1 3 316.340 2.239 20 30 DEEDHM C=C1CCC(C(=O)N[C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001588461303 1076449560 /nfs/dbraw/zinc/44/95/60/1076449560.db2.gz MNJCXQRKKADLLI-MRXNPFEDSA-N -1 3 323.400 2.197 20 30 DEEDHM C=C1CCC(C(=O)N[C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001588461303 1076449564 /nfs/dbraw/zinc/44/95/64/1076449564.db2.gz MNJCXQRKKADLLI-MRXNPFEDSA-N -1 3 323.400 2.197 20 30 DEEDHM C=CC(C)(C)COC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588488009 1076450703 /nfs/dbraw/zinc/45/07/03/1076450703.db2.gz DRXNCEWKHGGADQ-NSHDSACASA-N -1 3 316.361 2.389 20 30 DEEDHM C=CC(C)(C)COC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588488009 1076450705 /nfs/dbraw/zinc/45/07/05/1076450705.db2.gz DRXNCEWKHGGADQ-NSHDSACASA-N -1 3 316.361 2.389 20 30 DEEDHM C=CC[C@@H](CC)NC(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588540623 1076452591 /nfs/dbraw/zinc/45/25/91/1076452591.db2.gz CZZOWCZPKGQLNZ-CQSZACIVSA-N -1 3 312.377 2.247 20 30 DEEDHM C=CC[C@@H](CC)NC(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588540623 1076452595 /nfs/dbraw/zinc/45/25/95/1076452595.db2.gz CZZOWCZPKGQLNZ-CQSZACIVSA-N -1 3 312.377 2.247 20 30 DEEDHM C=CCCC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001588578637 1076454738 /nfs/dbraw/zinc/45/47/38/1076454738.db2.gz CXJJLSOQTVFSJP-UHFFFAOYSA-N -1 3 314.393 2.451 20 30 DEEDHM C=CCCC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001588578637 1076454740 /nfs/dbraw/zinc/45/47/40/1076454740.db2.gz CXJJLSOQTVFSJP-UHFFFAOYSA-N -1 3 314.393 2.451 20 30 DEEDHM C=CCCCC(=O)NCc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588590767 1076456601 /nfs/dbraw/zinc/45/66/01/1076456601.db2.gz WIVRDLLXPWRYEX-UHFFFAOYSA-N -1 3 305.769 2.493 20 30 DEEDHM C=CCCCC(=O)NCc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588590767 1076456603 /nfs/dbraw/zinc/45/66/03/1076456603.db2.gz WIVRDLLXPWRYEX-UHFFFAOYSA-N -1 3 305.769 2.493 20 30 DEEDHM C=CCONC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001588689348 1076460919 /nfs/dbraw/zinc/46/09/19/1076460919.db2.gz KEOQULSXCRTZDH-UHFFFAOYSA-N -1 3 321.340 2.381 20 30 DEEDHM C=CCONC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001588689348 1076460922 /nfs/dbraw/zinc/46/09/22/1076460922.db2.gz KEOQULSXCRTZDH-UHFFFAOYSA-N -1 3 321.340 2.381 20 30 DEEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(-c2nnn[n-]2)s1 ZINC001588776389 1076464236 /nfs/dbraw/zinc/46/42/36/1076464236.db2.gz KWKXEUGPAGLVAV-JTQLQIEISA-N -1 3 320.422 2.199 20 30 DEEDHM C[C@H](C#N)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588930645 1076470157 /nfs/dbraw/zinc/47/01/57/1076470157.db2.gz CHIGPXZBIPOTLA-SECBINFHSA-N -1 3 314.349 2.142 20 30 DEEDHM C[C@H](C#N)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588930645 1076470163 /nfs/dbraw/zinc/47/01/63/1076470163.db2.gz CHIGPXZBIPOTLA-SECBINFHSA-N -1 3 314.349 2.142 20 30 DEEDHM C[C@H](C#N)CN(Cc1ccc(-c2nnn[n-]2)c(F)c1)C1CC1 ZINC001588934604 1076470277 /nfs/dbraw/zinc/47/02/77/1076470277.db2.gz QDKSRGMGAJQUOK-SNVBAGLBSA-N -1 3 300.341 2.130 20 30 DEEDHM C[C@H](C#N)CN(Cc1ccc(-c2nn[n-]n2)c(F)c1)C1CC1 ZINC001588934604 1076470280 /nfs/dbraw/zinc/47/02/80/1076470280.db2.gz QDKSRGMGAJQUOK-SNVBAGLBSA-N -1 3 300.341 2.130 20 30 DEEDHM CC(C)(C#N)CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589034016 1076472595 /nfs/dbraw/zinc/47/25/95/1076472595.db2.gz OXWAONRAHVFAOV-UHFFFAOYSA-N -1 3 304.741 2.398 20 30 DEEDHM CC(C)(C#N)CC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589034016 1076472598 /nfs/dbraw/zinc/47/25/98/1076472598.db2.gz OXWAONRAHVFAOV-UHFFFAOYSA-N -1 3 304.741 2.398 20 30 DEEDHM CC(C)(NC(=O)CCCCC#N)c1cccc(-c2nnn[n-]2)c1 ZINC001589314127 1076485962 /nfs/dbraw/zinc/48/59/62/1076485962.db2.gz NKXDQDRBSAAQAV-UHFFFAOYSA-N -1 3 312.377 2.302 20 30 DEEDHM CC(C)(NC(=O)CCCCC#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589314127 1076485966 /nfs/dbraw/zinc/48/59/66/1076485966.db2.gz NKXDQDRBSAAQAV-UHFFFAOYSA-N -1 3 312.377 2.302 20 30 DEEDHM C[C@@H](CC#N)NCc1ccc(-c2nn[n-]n2)cc1Br ZINC001589787343 1076515884 /nfs/dbraw/zinc/51/58/84/1076515884.db2.gz JWCJXSFOBGDOAD-QMMMGPOBSA-N -1 3 321.182 2.021 20 30 DEEDHM C[C@@H](CC#N)NCc1ccc(-c2nnn[n-]2)cc1Br ZINC001589787343 1076515878 /nfs/dbraw/zinc/51/58/78/1076515878.db2.gz JWCJXSFOBGDOAD-QMMMGPOBSA-N -1 3 321.182 2.021 20 30 DEEDHM C[C@@H](CSc1nc(N)c(-c2nnn[n-]2)cc1C#N)C(C)(C)C ZINC001589892898 1076525611 /nfs/dbraw/zinc/52/56/11/1076525611.db2.gz ZWZUHTMHHHUOBA-QMMMGPOBSA-N -1 3 317.422 2.490 20 30 DEEDHM C[C@@H](CSc1nc(N)c(-c2nn[n-]n2)cc1C#N)C(C)(C)C ZINC001589892898 1076525612 /nfs/dbraw/zinc/52/56/12/1076525612.db2.gz ZWZUHTMHHHUOBA-QMMMGPOBSA-N -1 3 317.422 2.490 20 30 DEEDHM C[C@H](NC(=O)c1cscc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001589950578 1076531739 /nfs/dbraw/zinc/53/17/39/1076531739.db2.gz HSMOWBVMGAJYPU-VIFPVBQESA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@H](NC(=O)c1cscc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001589950578 1076531741 /nfs/dbraw/zinc/53/17/41/1076531741.db2.gz HSMOWBVMGAJYPU-VIFPVBQESA-N -1 3 324.369 2.291 20 30 DEEDHM CC1(C)C[C@H](NN=Cc2cccc(-c3nnn[n-]3)c2)C(C)(C)O1 ZINC001590083241 1076557869 /nfs/dbraw/zinc/55/78/69/1076557869.db2.gz BRBBOAQZDHPCHZ-ZDUSSCGKSA-N -1 3 314.393 2.136 20 30 DEEDHM CC1(C)C[C@H](NN=Cc2cccc(-c3nn[n-]n3)c2)C(C)(C)O1 ZINC001590083241 1076557872 /nfs/dbraw/zinc/55/78/72/1076557872.db2.gz BRBBOAQZDHPCHZ-ZDUSSCGKSA-N -1 3 314.393 2.136 20 30 DEEDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001590222557 1076589431 /nfs/dbraw/zinc/58/94/31/1076589431.db2.gz KONNDSBFPVNRKE-CZFOOCMKSA-N -1 3 322.372 2.359 20 30 DEEDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001590222557 1076589436 /nfs/dbraw/zinc/58/94/36/1076589436.db2.gz KONNDSBFPVNRKE-CZFOOCMKSA-N -1 3 322.372 2.359 20 30 DEEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cscc2-c2nnn[n-]2)C1 ZINC001590241981 1076595983 /nfs/dbraw/zinc/59/59/83/1076595983.db2.gz ZYVUYWXHUBEGAV-LKFCYVNXSA-N -1 3 316.390 2.130 20 30 DEEDHM C[C@H]1CCC[C@@](C#N)(NC(=O)c2cscc2-c2nn[n-]n2)C1 ZINC001590241981 1076595986 /nfs/dbraw/zinc/59/59/86/1076595986.db2.gz ZYVUYWXHUBEGAV-LKFCYVNXSA-N -1 3 316.390 2.130 20 30 DEEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@@H](C)S1 ZINC001590311925 1076608673 /nfs/dbraw/zinc/60/86/73/1076608673.db2.gz FHWSCUWTPUXJIO-NXEZZACHSA-N -1 3 300.391 2.069 20 30 DEEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@@H](C)S1 ZINC001590311925 1076608675 /nfs/dbraw/zinc/60/86/75/1076608675.db2.gz FHWSCUWTPUXJIO-NXEZZACHSA-N -1 3 300.391 2.069 20 30 DEEDHM C[C@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CCC1(F)F ZINC001590313307 1076610468 /nfs/dbraw/zinc/61/04/68/1076610468.db2.gz NUHUQBDNYLIBOG-VIFPVBQESA-N -1 3 304.304 2.220 20 30 DEEDHM C[C@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CCC1(F)F ZINC001590313307 1076610469 /nfs/dbraw/zinc/61/04/69/1076610469.db2.gz NUHUQBDNYLIBOG-VIFPVBQESA-N -1 3 304.304 2.220 20 30 DEEDHM CCC(=NOC[C@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC001590360332 1076615154 /nfs/dbraw/zinc/61/51/54/1076615154.db2.gz VVJZIYLXHJOBON-NSHDSACASA-N -1 3 301.350 2.034 20 30 DEEDHM CCC(=NOC[C@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC001590360332 1076615157 /nfs/dbraw/zinc/61/51/57/1076615157.db2.gz VVJZIYLXHJOBON-NSHDSACASA-N -1 3 301.350 2.034 20 30 DEEDHM CCC(=NOC[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359729 1076615420 /nfs/dbraw/zinc/61/54/20/1076615420.db2.gz MEMWOMQJXACQOE-LLVKDONJSA-N -1 3 301.350 2.034 20 30 DEEDHM CCC(=NOC[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359729 1076615422 /nfs/dbraw/zinc/61/54/22/1076615422.db2.gz MEMWOMQJXACQOE-LLVKDONJSA-N -1 3 301.350 2.034 20 30 DEEDHM CCOc1cccc(C=NNc2cccc(-c3nnn[n-]3)c2)c1O ZINC001590841849 1076683393 /nfs/dbraw/zinc/68/33/93/1076683393.db2.gz ABNPJKWJESKYPG-UHFFFAOYSA-N -1 3 324.344 2.417 20 30 DEEDHM CCOc1cccc(C=NNc2cccc(-c3nn[n-]n3)c2)c1O ZINC001590841849 1076683397 /nfs/dbraw/zinc/68/33/97/1076683397.db2.gz ABNPJKWJESKYPG-UHFFFAOYSA-N -1 3 324.344 2.417 20 30 DEEDHM CN(C(=O)c1ccc(F)c(C#N)c1)c1ccccc1-c1nnn[n-]1 ZINC001590994819 1076702161 /nfs/dbraw/zinc/70/21/61/1076702161.db2.gz ZIASMKSEZXSTHW-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM CN(C(=O)c1ccc(F)c(C#N)c1)c1ccccc1-c1nn[n-]n1 ZINC001590994819 1076702164 /nfs/dbraw/zinc/70/21/64/1076702164.db2.gz ZIASMKSEZXSTHW-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM CN(C(=O)c1csc(-c2nnn[n-]2)c1)c1ccccc1C#N ZINC001590998103 1076702773 /nfs/dbraw/zinc/70/27/73/1076702773.db2.gz CGYPETXUAQZQTH-UHFFFAOYSA-N -1 3 310.342 2.076 20 30 DEEDHM CN(C(=O)c1sccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001590997804 1076702992 /nfs/dbraw/zinc/70/29/92/1076702992.db2.gz DCQUYELNOIAEDI-UHFFFAOYSA-N -1 3 310.342 2.076 20 30 DEEDHM CN(C(=O)c1sccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001590997804 1076702995 /nfs/dbraw/zinc/70/29/95/1076702995.db2.gz DCQUYELNOIAEDI-UHFFFAOYSA-N -1 3 310.342 2.076 20 30 DEEDHM COCC[C@@H]1CCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001591402728 1076741362 /nfs/dbraw/zinc/74/13/62/1076741362.db2.gz OADSGUSVSARKBY-ZDUSSCGKSA-N -1 3 314.393 2.149 20 30 DEEDHM COCC[C@@H]1CCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001591402728 1076741363 /nfs/dbraw/zinc/74/13/63/1076741363.db2.gz OADSGUSVSARKBY-ZDUSSCGKSA-N -1 3 314.393 2.149 20 30 DEEDHM COc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)ccc1F ZINC001591522328 1076753569 /nfs/dbraw/zinc/75/35/69/1076753569.db2.gz FGRKYBITHQHLDH-UHFFFAOYSA-N -1 3 312.308 2.460 20 30 DEEDHM COc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)ccc1F ZINC001591522328 1076753573 /nfs/dbraw/zinc/75/35/73/1076753573.db2.gz FGRKYBITHQHLDH-UHFFFAOYSA-N -1 3 312.308 2.460 20 30 DEEDHM COc1ccc(CNc2ccc(C#N)c(C)n2)cc1-c1nnn[n-]1 ZINC001591601395 1076763743 /nfs/dbraw/zinc/76/37/43/1076763743.db2.gz QOQPLRTVOHQRRV-UHFFFAOYSA-N -1 3 321.344 2.063 20 30 DEEDHM COc1ccc(CNc2ccc(C#N)c(C)n2)cc1-c1nn[n-]n1 ZINC001591601395 1076763746 /nfs/dbraw/zinc/76/37/46/1076763746.db2.gz QOQPLRTVOHQRRV-UHFFFAOYSA-N -1 3 321.344 2.063 20 30 DEEDHM COc1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)cc1O ZINC001591600939 1076763917 /nfs/dbraw/zinc/76/39/17/1076763917.db2.gz CPPMHVJRDRCPPJ-UHFFFAOYSA-N -1 3 322.328 2.065 20 30 DEEDHM COc1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)cc1O ZINC001591600939 1076763919 /nfs/dbraw/zinc/76/39/19/1076763919.db2.gz CPPMHVJRDRCPPJ-UHFFFAOYSA-N -1 3 322.328 2.065 20 30 DEEDHM COc1ccc(O)c(C=NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001591618787 1076766344 /nfs/dbraw/zinc/76/63/44/1076766344.db2.gz PVNUDAJWISKNIJ-YVLHZVERSA-N -1 3 309.329 2.200 20 30 DEEDHM COc1ccc(O)c(C=NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591618787 1076766347 /nfs/dbraw/zinc/76/63/47/1076766347.db2.gz PVNUDAJWISKNIJ-YVLHZVERSA-N -1 3 309.329 2.200 20 30 DEEDHM COc1ccccc1CON=Cc1ccccc1-c1nnn[n-]1 ZINC001591650516 1076769871 /nfs/dbraw/zinc/76/98/71/1076769871.db2.gz VEKOXORJHXVWMU-UHFFFAOYSA-N -1 3 309.329 2.426 20 30 DEEDHM COc1ccccc1CON=Cc1ccccc1-c1nn[n-]n1 ZINC001591650516 1076769873 /nfs/dbraw/zinc/76/98/73/1076769873.db2.gz VEKOXORJHXVWMU-UHFFFAOYSA-N -1 3 309.329 2.426 20 30 DEEDHM Cc1cc(C(=O)NCC(C)(C)CC#N)cc(C)c1-c1nnn[n-]1 ZINC001591923152 1076807948 /nfs/dbraw/zinc/80/79/48/1076807948.db2.gz NVSFAXDBCHWMJA-UHFFFAOYSA-N -1 3 312.377 2.153 20 30 DEEDHM Cc1cc(C(=O)NCC(C)(C)CC#N)cc(C)c1-c1nn[n-]n1 ZINC001591923152 1076807954 /nfs/dbraw/zinc/80/79/54/1076807954.db2.gz NVSFAXDBCHWMJA-UHFFFAOYSA-N -1 3 312.377 2.153 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1c(C)cc(C)cc1C ZINC001591949241 1076813909 /nfs/dbraw/zinc/81/39/09/1076813909.db2.gz YPXNPHIGTADGEX-UHFFFAOYSA-N -1 3 307.361 2.217 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1c(C)cc(C)cc1C ZINC001591949241 1076813912 /nfs/dbraw/zinc/81/39/12/1076813912.db2.gz YPXNPHIGTADGEX-UHFFFAOYSA-N -1 3 307.361 2.217 20 30 DEEDHM Cc1ccc(C#N)cc1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001592113539 1076850487 /nfs/dbraw/zinc/85/04/87/1076850487.db2.gz PCCUOQBZVZDAOG-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@H](C#N)C1 ZINC001592242049 1076880824 /nfs/dbraw/zinc/88/08/24/1076880824.db2.gz PEFQCHGUABALPE-GFCCVEGCSA-N -1 3 319.372 2.463 20 30 DEEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@H](C#N)C1 ZINC001592242049 1076880827 /nfs/dbraw/zinc/88/08/27/1076880827.db2.gz PEFQCHGUABALPE-GFCCVEGCSA-N -1 3 319.372 2.463 20 30 DEEDHM Cc1nc(N2CCC[C@](C)(C#N)C2)c(Cl)cc1-c1nnn[n-]1 ZINC001592369287 1076904141 /nfs/dbraw/zinc/90/41/41/1076904141.db2.gz NVSRSDOGAWVAEE-CQSZACIVSA-N -1 3 317.784 2.354 20 30 DEEDHM Cc1nc(N2CCC[C@](C)(C#N)C2)c(Cl)cc1-c1nn[n-]n1 ZINC001592369287 1076904144 /nfs/dbraw/zinc/90/41/44/1076904144.db2.gz NVSRSDOGAWVAEE-CQSZACIVSA-N -1 3 317.784 2.354 20 30 DEEDHM Cc1nc(N2CCC[C@@](C)(C#N)C2)c(Cl)cc1-c1nnn[n-]1 ZINC001592369286 1076904841 /nfs/dbraw/zinc/90/48/41/1076904841.db2.gz NVSRSDOGAWVAEE-AWEZNQCLSA-N -1 3 317.784 2.354 20 30 DEEDHM 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CC(=NNCCOC(C)C)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588777401 1076465177 /nfs/dbraw/zinc/46/51/77/1076465177.db2.gz SHNZENQHXXYTRR-UHFFFAOYSA-N -1 3 322.800 2.259 20 30 DEEDHM CC(=NNCCOC(C)C)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588777401 1076465180 /nfs/dbraw/zinc/46/51/80/1076465180.db2.gz SHNZENQHXXYTRR-UHFFFAOYSA-N -1 3 322.800 2.259 20 30 DEEDHM CC(C)(C#N)CCCOC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001589034083 1076472715 /nfs/dbraw/zinc/47/27/15/1076472715.db2.gz QWGYBOYHMFQFHD-UHFFFAOYSA-N -1 3 313.361 2.282 20 30 DEEDHM CC(C)(C#N)CCCOC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001589034083 1076472720 /nfs/dbraw/zinc/47/27/20/1076472720.db2.gz QWGYBOYHMFQFHD-UHFFFAOYSA-N -1 3 313.361 2.282 20 30 DEEDHM CC(C)(CC(F)F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001589269839 1076482717 /nfs/dbraw/zinc/48/27/17/1076482717.db2.gz IFOSBYZGSMWINK-UHFFFAOYSA-N -1 3 320.303 2.358 20 30 DEEDHM CC(C)(CC(F)F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001589269839 1076482718 /nfs/dbraw/zinc/48/27/18/1076482718.db2.gz IFOSBYZGSMWINK-UHFFFAOYSA-N -1 3 320.303 2.358 20 30 DEEDHM CC(C)COCCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589645860 1076504485 /nfs/dbraw/zinc/50/44/85/1076504485.db2.gz NMGBGSNMPKULLM-UHFFFAOYSA-N -1 3 300.366 2.213 20 30 DEEDHM CC(C)COCCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589645860 1076504487 /nfs/dbraw/zinc/50/44/87/1076504487.db2.gz NMGBGSNMPKULLM-UHFFFAOYSA-N -1 3 300.366 2.213 20 30 DEEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)C#CC1CC1 ZINC001589750937 1076509770 /nfs/dbraw/zinc/50/97/70/1076509770.db2.gz JIVHPZVSWIFYLY-UHFFFAOYSA-N -1 3 311.345 2.006 20 30 DEEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)C#CC1CC1 ZINC001589750937 1076509774 /nfs/dbraw/zinc/50/97/74/1076509774.db2.gz JIVHPZVSWIFYLY-UHFFFAOYSA-N -1 3 311.345 2.006 20 30 DEEDHM C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OC1(C#N)CCC1 ZINC001589894960 1076525476 /nfs/dbraw/zinc/52/54/76/1076525476.db2.gz OLNPTBPAAKSHAF-NSHDSACASA-N -1 3 311.345 2.035 20 30 DEEDHM C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OC1(C#N)CCC1 ZINC001589894960 1076525482 /nfs/dbraw/zinc/52/54/82/1076525482.db2.gz OLNPTBPAAKSHAF-NSHDSACASA-N -1 3 311.345 2.035 20 30 DEEDHM C[C@H](NC(=O)C1(C#N)CC2(CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001589920060 1076529763 /nfs/dbraw/zinc/52/97/63/1076529763.db2.gz XHIZSDLYDLIGBP-NSHDSACASA-N -1 3 322.372 2.128 20 30 DEEDHM C[C@H](NC(=O)C1(C#N)CC2(CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589920060 1076529765 /nfs/dbraw/zinc/52/97/65/1076529765.db2.gz XHIZSDLYDLIGBP-NSHDSACASA-N -1 3 322.372 2.128 20 30 DEEDHM C[C@@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCO[C@@H]1C1CC1 ZINC001590133432 1076570489 /nfs/dbraw/zinc/57/04/89/1076570489.db2.gz CHWCXNBKYGECNF-WBVHZDCISA-N -1 3 324.388 2.355 20 30 DEEDHM C[C@@]1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCO[C@@H]1C1CC1 ZINC001590133432 1076570491 /nfs/dbraw/zinc/57/04/91/1076570491.db2.gz CHWCXNBKYGECNF-WBVHZDCISA-N -1 3 324.388 2.355 20 30 DEEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cscc2-c2nnn[n-]2)C1 ZINC001590241986 1076595898 /nfs/dbraw/zinc/59/58/98/1076595898.db2.gz ZYVUYWXHUBEGAV-OTYXRUKQSA-N -1 3 316.390 2.130 20 30 DEEDHM C[C@@H]1CCC[C@](C#N)(NC(=O)c2cscc2-c2nn[n-]n2)C1 ZINC001590241986 1076595904 /nfs/dbraw/zinc/59/59/04/1076595904.db2.gz ZYVUYWXHUBEGAV-OTYXRUKQSA-N -1 3 316.390 2.130 20 30 DEEDHM CCC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCOC1 ZINC001590358816 1076615921 /nfs/dbraw/zinc/61/59/21/1076615921.db2.gz GORBEVLDUUFYDO-GFCCVEGCSA-N -1 3 300.366 2.471 20 30 DEEDHM CCC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC001590358816 1076615923 /nfs/dbraw/zinc/61/59/23/1076615923.db2.gz GORBEVLDUUFYDO-GFCCVEGCSA-N -1 3 300.366 2.471 20 30 DEEDHM CC[C@@](C)(CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)OC ZINC001590380040 1076617425 /nfs/dbraw/zinc/61/74/25/1076617425.db2.gz MXXDLIZSXXPOSW-LBPRGKRZSA-N -1 3 309.761 2.128 20 30 DEEDHM CC[C@@](C)(CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)OC ZINC001590380040 1076617428 /nfs/dbraw/zinc/61/74/28/1076617428.db2.gz MXXDLIZSXXPOSW-LBPRGKRZSA-N -1 3 309.761 2.128 20 30 DEEDHM CCCCCCCC(=O)OCc1ncc(-c2nnn[n-]2)cn1 ZINC001590593119 1076657559 /nfs/dbraw/zinc/65/75/59/1076657559.db2.gz XIIMAJLDWGYPCR-UHFFFAOYSA-N -1 3 304.354 2.060 20 30 DEEDHM CCCCCCCC(=O)OCc1ncc(-c2nn[n-]n2)cn1 ZINC001590593119 1076657560 /nfs/dbraw/zinc/65/75/60/1076657560.db2.gz XIIMAJLDWGYPCR-UHFFFAOYSA-N -1 3 304.354 2.060 20 30 DEEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1coc(C#N)c1 ZINC001590876633 1076688188 /nfs/dbraw/zinc/68/81/88/1076688188.db2.gz MIUGWXHMFYEPAI-UHFFFAOYSA-N -1 3 309.285 2.113 20 30 DEEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1coc(C#N)c1 ZINC001590876633 1076688191 /nfs/dbraw/zinc/68/81/91/1076688191.db2.gz MIUGWXHMFYEPAI-UHFFFAOYSA-N -1 3 309.285 2.113 20 30 DEEDHM COC(=O)c1ccccc1NN=Cc1ccccc1-c1nnn[n-]1 ZINC001591304365 1076719729 /nfs/dbraw/zinc/71/97/29/1076719729.db2.gz TWSOFHHISMQKRT-UHFFFAOYSA-N -1 3 322.328 2.099 20 30 DEEDHM COC(=O)c1ccccc1NN=Cc1ccccc1-c1nn[n-]n1 ZINC001591304365 1076719732 /nfs/dbraw/zinc/71/97/32/1076719732.db2.gz TWSOFHHISMQKRT-UHFFFAOYSA-N -1 3 322.328 2.099 20 30 DEEDHM CO[C@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)C1CCCC1 ZINC001591327953 1076724661 /nfs/dbraw/zinc/72/46/61/1076724661.db2.gz YKDZUWDOCYZBAR-OAHLLOKOSA-N -1 3 314.393 2.147 20 30 DEEDHM CO[C@H](C=NNCc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC001591327953 1076724666 /nfs/dbraw/zinc/72/46/66/1076724666.db2.gz YKDZUWDOCYZBAR-OAHLLOKOSA-N -1 3 314.393 2.147 20 30 DEEDHM COc1cc(C=CC(=O)c2cncc(C)c2)ccc1-c1nnn[n-]1 ZINC001591523533 1076753400 /nfs/dbraw/zinc/75/34/00/1076753400.db2.gz WQZXAQFTRBXPQO-GQCTYLIASA-N -1 3 321.340 2.475 20 30 DEEDHM COc1cc(C=CC(=O)c2cncc(C)c2)ccc1-c1nn[n-]n1 ZINC001591523533 1076753402 /nfs/dbraw/zinc/75/34/02/1076753402.db2.gz WQZXAQFTRBXPQO-GQCTYLIASA-N -1 3 321.340 2.475 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=NNC1CCSCC1 ZINC001591840309 1076791188 /nfs/dbraw/zinc/79/11/88/1076791188.db2.gz GSGSGOLCOQCDGC-UHFFFAOYSA-N -1 3 316.434 2.303 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=NNC1CCSCC1 ZINC001591840309 1076791191 /nfs/dbraw/zinc/79/11/91/1076791191.db2.gz GSGSGOLCOQCDGC-UHFFFAOYSA-N -1 3 316.434 2.303 20 30 DEEDHM Cc1cc(CN=Nc2ccc(-c3nnn[n-]3)cn2)c(C)n1C1CC1 ZINC001591958710 1076815298 /nfs/dbraw/zinc/81/52/98/1076815298.db2.gz KWXMUAHCKPMEOF-UHFFFAOYSA-N -1 3 322.376 2.461 20 30 DEEDHM Cc1cc(CN=Nc2ccc(-c3nn[n-]n3)cn2)c(C)n1C1CC1 ZINC001591958710 1076815305 /nfs/dbraw/zinc/81/53/05/1076815305.db2.gz KWXMUAHCKPMEOF-UHFFFAOYSA-N -1 3 322.376 2.461 20 30 DEEDHM Cc1cc(N=NCc2ccc(-c3nn[n-]n3)c(C)c2)nc(C)n1 ZINC001592053511 1076840883 /nfs/dbraw/zinc/84/08/83/1076840883.db2.gz GUCYGEUIJUGBEG-UHFFFAOYSA-N -1 3 308.349 2.028 20 30 DEEDHM Cc1cc(OC(=O)c2cc(-c3nnn[n-]3)cs2)ccc1C#N ZINC001592058632 1076842196 /nfs/dbraw/zinc/84/21/96/1076842196.db2.gz ZIJXZGMVKGRQGD-UHFFFAOYSA-N -1 3 311.326 2.328 20 30 DEEDHM Cc1cc(OC(=O)c2cc(-c3nn[n-]n3)cs2)ccc1C#N ZINC001592058632 1076842202 /nfs/dbraw/zinc/84/22/02/1076842202.db2.gz ZIJXZGMVKGRQGD-UHFFFAOYSA-N -1 3 311.326 2.328 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)NC1(C#N)CCCCC1 ZINC001592097582 1076846404 /nfs/dbraw/zinc/84/64/04/1076846404.db2.gz NEUNSSSHZAJEIA-UHFFFAOYSA-N -1 3 310.361 2.131 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)NC1(C#N)CCCCC1 ZINC001592097582 1076846409 /nfs/dbraw/zinc/84/64/09/1076846409.db2.gz NEUNSSSHZAJEIA-UHFFFAOYSA-N -1 3 310.361 2.131 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)OCC1(C#N)CCCC1 ZINC001592100467 1076847846 /nfs/dbraw/zinc/84/78/46/1076847846.db2.gz YHNDAQUKNCOKHM-UHFFFAOYSA-N -1 3 311.345 2.416 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)OCC1(C#N)CCCC1 ZINC001592100467 1076847853 /nfs/dbraw/zinc/84/78/53/1076847853.db2.gz YHNDAQUKNCOKHM-UHFFFAOYSA-N -1 3 311.345 2.416 20 30 DEEDHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)cc1C#N ZINC001592115912 1076852008 /nfs/dbraw/zinc/85/20/08/1076852008.db2.gz FTOPOBCEZPYIRU-UHFFFAOYSA-N -1 3 318.340 2.323 20 30 DEEDHM Cc1ccc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)cc1C#N ZINC001592115912 1076852012 /nfs/dbraw/zinc/85/20/12/1076852012.db2.gz FTOPOBCEZPYIRU-UHFFFAOYSA-N -1 3 318.340 2.323 20 30 DEEDHM Cc1nnc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)c(C#N)c1C ZINC001592447799 1076913944 /nfs/dbraw/zinc/91/39/44/1076913944.db2.gz WGDMKBTYSJBQKY-LLVKDONJSA-N -1 3 320.360 2.318 20 30 DEEDHM Cc1nnc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)c(C#N)c1C ZINC001592447799 1076913946 /nfs/dbraw/zinc/91/39/46/1076913946.db2.gz WGDMKBTYSJBQKY-LLVKDONJSA-N -1 3 320.360 2.318 20 30 DEEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001592672407 1076948909 /nfs/dbraw/zinc/94/89/09/1076948909.db2.gz HPXGTUMJMCUILQ-KOLCDFICSA-N -1 3 315.308 2.245 20 30 DEEDHM N#C[C@@H]1CCC[C@H](OC(=O)c2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001592672407 1076948914 /nfs/dbraw/zinc/94/89/14/1076948914.db2.gz HPXGTUMJMCUILQ-KOLCDFICSA-N -1 3 315.308 2.245 20 30 DEEDHM N#C[C@@H]1CCC[C@@H](OC(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001592672378 1076949339 /nfs/dbraw/zinc/94/93/39/1076949339.db2.gz GYQDPJHAKYJTJR-TZMCWYRMSA-N -1 3 311.345 2.035 20 30 DEEDHM N#C[C@@H]1CCC[C@@H](OC(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001592672378 1076949344 /nfs/dbraw/zinc/94/93/44/1076949344.db2.gz GYQDPJHAKYJTJR-TZMCWYRMSA-N -1 3 311.345 2.035 20 30 DEEDHM N#CCCCC(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001592675019 1076950196 /nfs/dbraw/zinc/95/01/96/1076950196.db2.gz ORTXQESPMUKWKI-UHFFFAOYSA-N -1 3 310.361 2.056 20 30 DEEDHM N#CCCCC(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001592675019 1076950200 /nfs/dbraw/zinc/95/02/00/1076950200.db2.gz ORTXQESPMUKWKI-UHFFFAOYSA-N -1 3 310.361 2.056 20 30 DEEDHM N#CCCCC(=O)N(c1cccc(-c2nnn[n-]2)c1)C1CCC1 ZINC001592674667 1076950391 /nfs/dbraw/zinc/95/03/91/1076950391.db2.gz IGEVXODQVZRNQM-UHFFFAOYSA-N -1 3 310.361 2.446 20 30 DEEDHM N#CCCCC(=O)N(c1cccc(-c2nn[n-]n2)c1)C1CCC1 ZINC001592674667 1076950394 /nfs/dbraw/zinc/95/03/94/1076950394.db2.gz IGEVXODQVZRNQM-UHFFFAOYSA-N -1 3 310.361 2.446 20 30 DEEDHM N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592682235 1076952476 /nfs/dbraw/zinc/95/24/76/1076952476.db2.gz RYASLQMQNLAWMS-GWCFXTLKSA-N -1 3 311.349 2.071 20 30 DEEDHM N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592682235 1076952480 /nfs/dbraw/zinc/95/24/80/1076952480.db2.gz RYASLQMQNLAWMS-GWCFXTLKSA-N -1 3 311.349 2.071 20 30 DEEDHM N#Cc1ccc(F)c(COC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592693525 1076952783 /nfs/dbraw/zinc/95/27/83/1076952783.db2.gz JGQLOTZMXMPRPW-UHFFFAOYSA-N -1 3 323.287 2.234 20 30 DEEDHM N#Cc1ccc(F)c(COC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592693525 1076952789 /nfs/dbraw/zinc/95/27/89/1076952789.db2.gz JGQLOTZMXMPRPW-UHFFFAOYSA-N -1 3 323.287 2.234 20 30 DEEDHM N#Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC001592691026 1076953199 /nfs/dbraw/zinc/95/31/99/1076953199.db2.gz BGWVVCOMSDAECN-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM N#Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC001592691026 1076953202 /nfs/dbraw/zinc/95/32/02/1076953202.db2.gz BGWVVCOMSDAECN-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM N#Cc1ccc2c(c1)N(Cc1ccc(F)cc1-c1nnn[n-]1)CC2 ZINC001592698107 1076954330 /nfs/dbraw/zinc/95/43/30/1076954330.db2.gz IEWUTGPOQDSFPH-UHFFFAOYSA-N -1 3 320.331 2.440 20 30 DEEDHM N#Cc1ccc2c(c1)N(Cc1ccc(F)cc1-c1nn[n-]n1)CC2 ZINC001592698107 1076954332 /nfs/dbraw/zinc/95/43/32/1076954332.db2.gz IEWUTGPOQDSFPH-UHFFFAOYSA-N -1 3 320.331 2.440 20 30 DEEDHM N#Cc1ccsc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001592702640 1076955844 /nfs/dbraw/zinc/95/58/44/1076955844.db2.gz ROMNKFFTPQMXPK-UHFFFAOYSA-N -1 3 302.344 2.114 20 30 DEEDHM N#Cc1ccsc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001592702640 1076955848 /nfs/dbraw/zinc/95/58/48/1076955848.db2.gz ROMNKFFTPQMXPK-UHFFFAOYSA-N -1 3 302.344 2.114 20 30 DEEDHM N#Cc1csc(CN2CCCc3c(-c4nnn[n-]4)cccc32)n1 ZINC001592706223 1076956457 /nfs/dbraw/zinc/95/64/57/1076956457.db2.gz OUPUVOWIUFPKKI-UHFFFAOYSA-N -1 3 323.385 2.148 20 30 DEEDHM N#Cc1csc(CN2CCCc3c(-c4nn[n-]n4)cccc32)n1 ZINC001592706223 1076956461 /nfs/dbraw/zinc/95/64/61/1076956461.db2.gz OUPUVOWIUFPKKI-UHFFFAOYSA-N -1 3 323.385 2.148 20 30 DEEDHM Oc1cccc(C=N[C@@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1O ZINC001593540348 1077019607 /nfs/dbraw/zinc/01/96/07/1077019607.db2.gz UAGOWNAKBYDNFM-BBSXFRJVSA-N -1 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324.369 2.239 20 30 DEEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC001606105077 1071043388 /nfs/dbraw/zinc/04/33/88/1071043388.db2.gz NSHSSCVAZWHDTL-BQYQJAHWSA-N -1 3 308.345 2.113 20 30 DEEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC001606105077 1071043395 /nfs/dbraw/zinc/04/33/95/1071043395.db2.gz NSHSSCVAZWHDTL-BQYQJAHWSA-N -1 3 308.345 2.113 20 30 DEEDHM N#CCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001606348489 1071130653 /nfs/dbraw/zinc/13/06/53/1071130653.db2.gz WFSOIKPQDWMGLT-UHFFFAOYSA-N -1 3 311.349 2.169 20 30 DEEDHM N#CCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001606348489 1071130669 /nfs/dbraw/zinc/13/06/69/1071130669.db2.gz WFSOIKPQDWMGLT-UHFFFAOYSA-N -1 3 311.349 2.169 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCOc1cccc(F)c1 ZINC001606380426 1071136929 /nfs/dbraw/zinc/13/69/29/1071136929.db2.gz YMLKZIDOANEKSF-UHFFFAOYSA-N -1 3 324.319 2.368 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCOc1cccc(F)c1 ZINC001606380426 1071136931 /nfs/dbraw/zinc/13/69/31/1071136931.db2.gz YMLKZIDOANEKSF-UHFFFAOYSA-N -1 3 324.319 2.368 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H](C1CCC1)[C@H]1CCCO1 ZINC001606380146 1071137051 /nfs/dbraw/zinc/13/70/51/1071137051.db2.gz QVQYYNQKJNZHBM-GDBMZVCRSA-N -1 3 324.388 2.498 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H](C1CCC1)[C@H]1CCCO1 ZINC001606380146 1071137055 /nfs/dbraw/zinc/13/70/55/1071137055.db2.gz QVQYYNQKJNZHBM-GDBMZVCRSA-N -1 3 324.388 2.498 20 30 DEEDHM N#Cc1cccc(CN2Cc3cccc(-c4nnn[n-]4)c3C2)c1F ZINC001606380168 1071137343 /nfs/dbraw/zinc/13/73/43/1071137343.db2.gz TYUXWHMXWYQGDS-UHFFFAOYSA-N -1 3 320.331 2.393 20 30 DEEDHM N#Cc1cccc(CN2Cc3cccc(-c4nn[n-]n4)c3C2)c1F ZINC001606380168 1071137347 /nfs/dbraw/zinc/13/73/47/1071137347.db2.gz TYUXWHMXWYQGDS-UHFFFAOYSA-N -1 3 320.331 2.393 20 30 DEEDHM Cc1cc(-n2ccnc2)ccc1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001607559775 1071476776 /nfs/dbraw/zinc/47/67/76/1071476776.db2.gz BIVSYBHDTBZIQM-UHFFFAOYSA-N -1 3 324.384 2.371 20 30 DEEDHM N#CC[C@H](C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1)c1ccccc1 ZINC001452725903 1057137433 /nfs/dbraw/zinc/13/74/33/1057137433.db2.gz KVGGWPDYYNQSRQ-KBPBESRZSA-N -1 3 310.357 2.129 20 30 DEEDHM Cc1nc2c(c(=O)[n-]1)CN(c1ncc(C#N)c3ccsc31)C2 ZINC001458515652 1058067800 /nfs/dbraw/zinc/06/78/00/1058067800.db2.gz SSOHGBBYBDAOHC-UHFFFAOYSA-N -1 3 309.354 2.492 20 30 DEEDHM N#Cc1cnc(N2Cc3nc(C4CC4)[n-]c(=O)c3C2)c(Cl)c1 ZINC001458572211 1058071582 /nfs/dbraw/zinc/07/15/82/1058071582.db2.gz LERCTSSMXPIZGS-UHFFFAOYSA-N -1 3 313.748 2.500 20 30 DEEDHM COC(=O)c1nc(C(=O)[N-]c2cnc(Cl)cc2C#N)cs1 ZINC001459711995 1058206350 /nfs/dbraw/zinc/20/63/50/1058206350.db2.gz NBDHOQMHMHZNOM-UHFFFAOYSA-N -1 3 322.733 2.102 20 30 DEEDHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1cnc(OC)s1 ZINC001475562048 1061013944 /nfs/dbraw/zinc/01/39/44/1061013944.db2.gz UDRXVCYYCMUMLH-UHFFFAOYSA-N -1 3 304.437 2.422 20 30 DEEDHM C=C(C)CN1CCC(NC(=O)c2cc(C)cc(C=O)c2[O-])CC1 ZINC001632862709 1078392498 /nfs/dbraw/zinc/39/24/98/1078392498.db2.gz IKVFLOHCPRWUQD-UHFFFAOYSA-N -1 3 316.401 2.283 20 30 DEEDHM Cc1ccc(C#N)cc1C(=O)Nc1[n-]nc2cc(C)n(C)c(=O)c21 ZINC001639710509 1078625334 /nfs/dbraw/zinc/62/53/34/1078625334.db2.gz MJVAMQLEXFBDTK-UHFFFAOYSA-N -1 3 321.340 2.002 20 30 DEEDHM O=C(NCC(=O)N([O-])Cc1ccccc1Cl)c1ccccc1 ZINC001641857787 1078730954 /nfs/dbraw/zinc/73/09/54/1078730954.db2.gz GXYXMLDHULJPAU-UHFFFAOYSA-N -1 3 318.760 2.488 20 30 DEEDHM CCCCCCN([O-])C(=O)c1nnn(Cc2cc(C)on2)c1C ZINC001641867367 1078732831 /nfs/dbraw/zinc/73/28/31/1078732831.db2.gz CXTKVCAAFIRLOF-UHFFFAOYSA-N -1 3 321.381 2.343 20 30 DEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N(C)[C@H](C)CCSC ZINC001520404765 1069134298 /nfs/dbraw/zinc/13/42/98/1069134298.db2.gz YRCDNNONIJGECW-SNVBAGLBSA-N -1 3 323.422 2.403 20 30 DEEDHM COCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccco1 ZINC001645664472 1078954530 /nfs/dbraw/zinc/95/45/30/1078954530.db2.gz UMBITQWTFUNPBA-LBPRGKRZSA-N -1 3 320.370 2.096 20 30 DEEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)cc(C)n1 ZINC001649775684 1079207495 /nfs/dbraw/zinc/20/74/95/1079207495.db2.gz OBHSTUYMJSHTJP-UHFFFAOYSA-N -1 3 301.371 2.101 20 30 DEEDHM COCc1ccc(C(=O)[N-]c2n[nH]c(-c3cccc(C#N)c3)n2)o1 ZINC001559045746 1075111571 /nfs/dbraw/zinc/11/15/71/1075111571.db2.gz VHQZGSHVTZVXMI-UHFFFAOYSA-N -1 3 323.312 2.335 20 30 DEEDHM Cc1cc(C#N)cc(NC(=O)c2ccc(C)c(-c3nnn[n-]3)c2)n1 ZINC001580768597 1075990533 /nfs/dbraw/zinc/99/05/33/1075990533.db2.gz DJSXLLVBULGHJU-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(C#N)cc(NC(=O)c2ccc(C)c(-c3nn[n-]n3)c2)n1 ZINC001580768597 1075990540 /nfs/dbraw/zinc/99/05/40/1075990540.db2.gz DJSXLLVBULGHJU-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(OC(=O)c2cc(-c3nnn[n-]3)ccc2F)ccc1C#N ZINC001581041116 1076036100 /nfs/dbraw/zinc/03/61/00/1076036100.db2.gz IVJFGKVZXIQVRG-UHFFFAOYSA-N -1 3 323.287 2.405 20 30 DEEDHM Cc1cc(OC(=O)c2cc(-c3nn[n-]n3)ccc2F)ccc1C#N ZINC001581041116 1076036106 /nfs/dbraw/zinc/03/61/06/1076036106.db2.gz IVJFGKVZXIQVRG-UHFFFAOYSA-N -1 3 323.287 2.405 20 30 DEEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)co1 ZINC001581864589 1076104965 /nfs/dbraw/zinc/10/49/65/1076104965.db2.gz CRELXASHKKKUEG-UHFFFAOYSA-N -1 3 314.692 2.237 20 30 DEEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)co1 ZINC001581864589 1076104967 /nfs/dbraw/zinc/10/49/67/1076104967.db2.gz CRELXASHKKKUEG-UHFFFAOYSA-N -1 3 314.692 2.237 20 30 DEEDHM N#Cc1cc(C(=O)Nc2sccc2-c2nn[n-]n2)cs1 ZINC001581864614 1076105346 /nfs/dbraw/zinc/10/53/46/1076105346.db2.gz FBTBYPOTIMCLHR-UHFFFAOYSA-N -1 3 302.344 2.114 20 30 DEEDHM N#Cc1cc(C(=O)Nc2sccc2-c2nnn[n-]2)cs1 ZINC001581864614 1076105342 /nfs/dbraw/zinc/10/53/42/1076105342.db2.gz FBTBYPOTIMCLHR-UHFFFAOYSA-N -1 3 302.344 2.114 20 30 DEEDHM N#Cc1ccsc1NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001581877002 1076107188 /nfs/dbraw/zinc/10/71/88/1076107188.db2.gz OMDFBYQYPTWRQO-UHFFFAOYSA-N -1 3 302.344 2.114 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCc2cccnc21 ZINC001581874320 1076107413 /nfs/dbraw/zinc/10/74/13/1076107413.db2.gz MLKYCMBFSICYCR-ZDUSSCGKSA-N -1 3 317.356 2.275 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCc2cccnc21 ZINC001581874320 1076107416 /nfs/dbraw/zinc/10/74/16/1076107416.db2.gz MLKYCMBFSICYCR-ZDUSSCGKSA-N -1 3 317.356 2.275 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@]12C[C@H]1COC21CCC1 ZINC001581875211 1076107448 /nfs/dbraw/zinc/10/74/48/1076107448.db2.gz ZXYRFUSMEVQYEY-BLLLJJGKSA-N -1 3 322.372 2.109 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@]12C[C@H]1COC21CCC1 ZINC001581875211 1076107452 /nfs/dbraw/zinc/10/74/52/1076107452.db2.gz ZXYRFUSMEVQYEY-BLLLJJGKSA-N -1 3 322.372 2.109 20 30 DEEDHM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(Cl)cc2C#N)n1 ZINC001586199751 1076392930 /nfs/dbraw/zinc/39/29/30/1076392930.db2.gz JJTGXRCQUFLKBF-UHFFFAOYSA-N -1 3 305.681 2.106 20 30 DEEDHM C#C[C@@H](Nc1cc(C)c(-c2nnn[n-]2)cn1)c1ccc(F)cc1 ZINC001588328653 1076439984 /nfs/dbraw/zinc/43/99/84/1076439984.db2.gz MULRVARJONSWGS-CQSZACIVSA-N -1 3 308.320 2.496 20 30 DEEDHM C#C[C@@H](Nc1cc(C)c(-c2nn[n-]n2)cn1)c1ccc(F)cc1 ZINC001588328653 1076439985 /nfs/dbraw/zinc/43/99/85/1076439985.db2.gz MULRVARJONSWGS-CQSZACIVSA-N -1 3 308.320 2.496 20 30 DEEDHM C#C[C@](C)(CC)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588325382 1076440174 /nfs/dbraw/zinc/44/01/74/1076440174.db2.gz KGDPXMUDXVBXHH-CQSZACIVSA-N -1 3 318.768 2.444 20 30 DEEDHM C#C[C@](C)(CC)NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588325382 1076440175 /nfs/dbraw/zinc/44/01/75/1076440175.db2.gz KGDPXMUDXVBXHH-CQSZACIVSA-N -1 3 318.768 2.444 20 30 DEEDHM C#CCC(C)(C)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588330634 1076441046 /nfs/dbraw/zinc/44/10/46/1076441046.db2.gz BUIDMKJYXQAEIL-MDZDMXLPSA-N -1 3 310.357 2.473 20 30 DEEDHM C#CCC(C)(C)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588330634 1076441044 /nfs/dbraw/zinc/44/10/44/1076441044.db2.gz BUIDMKJYXQAEIL-MDZDMXLPSA-N -1 3 310.357 2.473 20 30 DEEDHM C#Cc1cccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])c1 ZINC001588374904 1076444554 /nfs/dbraw/zinc/44/45/54/1076444554.db2.gz VWVVUGJGVCECIL-UHFFFAOYSA-N -1 3 320.312 2.368 20 30 DEEDHM C#Cc1cccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])c1 ZINC001588374904 1076444557 /nfs/dbraw/zinc/44/45/57/1076444557.db2.gz VWVVUGJGVCECIL-UHFFFAOYSA-N -1 3 320.312 2.368 20 30 DEEDHM C=C(C)CN(CC)C(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588426031 1076447246 /nfs/dbraw/zinc/44/72/46/1076447246.db2.gz HMRDEOMPULOMNE-UHFFFAOYSA-N -1 3 314.393 2.283 20 30 DEEDHM C=C(C)CN(CC)C(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588426031 1076447248 /nfs/dbraw/zinc/44/72/48/1076447248.db2.gz HMRDEOMPULOMNE-UHFFFAOYSA-N -1 3 314.393 2.283 20 30 DEEDHM C=C(Cl)CN1CCC(Nc2ccccc2-c2nn[n-]n2)CC1 ZINC001588449545 1076449309 /nfs/dbraw/zinc/44/93/09/1076449309.db2.gz RQQQSMJHWNKIGB-UHFFFAOYSA-N -1 3 318.812 2.496 20 30 DEEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588498505 1076450246 /nfs/dbraw/zinc/45/02/46/1076450246.db2.gz AXOKCMDMCRQFFW-HNNXBMFYSA-N -1 3 319.340 2.173 20 30 DEEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588498505 1076450249 /nfs/dbraw/zinc/45/02/49/1076450249.db2.gz AXOKCMDMCRQFFW-HNNXBMFYSA-N -1 3 319.340 2.173 20 30 DEEDHM C=CC(C)(C)CCCNC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588488247 1076450863 /nfs/dbraw/zinc/45/08/63/1076450863.db2.gz YMSZOQGAGVTLIA-UHFFFAOYSA-N -1 3 315.381 2.376 20 30 DEEDHM C=CC(C)(C)CCCNC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588488247 1076450867 /nfs/dbraw/zinc/45/08/67/1076450867.db2.gz YMSZOQGAGVTLIA-UHFFFAOYSA-N -1 3 315.381 2.376 20 30 DEEDHM C=C[C@@H](C)ONC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588518675 1076451604 /nfs/dbraw/zinc/45/16/04/1076451604.db2.gz ITTNLDMLRDEGSM-SSDOTTSWSA-N -1 3 308.729 2.148 20 30 DEEDHM C=C[C@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)OC ZINC001588525476 1076451997 /nfs/dbraw/zinc/45/19/97/1076451997.db2.gz HRQHYRDAMWIRLA-QMMMGPOBSA-N -1 3 310.766 2.340 20 30 DEEDHM C=C[C@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)OC ZINC001588525476 1076451999 /nfs/dbraw/zinc/45/19/99/1076451999.db2.gz HRQHYRDAMWIRLA-QMMMGPOBSA-N -1 3 310.766 2.340 20 30 DEEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001588559408 1076453785 /nfs/dbraw/zinc/45/37/85/1076453785.db2.gz JXQQPTMDOANRFR-NSHDSACASA-N -1 3 315.352 2.434 20 30 DEEDHM C=CC[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588559408 1076453788 /nfs/dbraw/zinc/45/37/88/1076453788.db2.gz JXQQPTMDOANRFR-NSHDSACASA-N -1 3 315.352 2.434 20 30 DEEDHM C=CC[C@H](CC)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001588542157 1076454208 /nfs/dbraw/zinc/45/42/08/1076454208.db2.gz WZZVFEPESDWLGN-LBPRGKRZSA-N -1 3 317.418 2.430 20 30 DEEDHM C=CC[C@H](CC)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001588542157 1076454213 /nfs/dbraw/zinc/45/42/13/1076454213.db2.gz WZZVFEPESDWLGN-LBPRGKRZSA-N -1 3 317.418 2.430 20 30 DEEDHM C=CCCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588594121 1076455841 /nfs/dbraw/zinc/45/58/41/1076455841.db2.gz LPSBCNIKKFJTCN-NSHDSACASA-N -1 3 315.377 2.350 20 30 DEEDHM C=CCCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588594121 1076455845 /nfs/dbraw/zinc/45/58/45/1076455845.db2.gz LPSBCNIKKFJTCN-NSHDSACASA-N -1 3 315.377 2.350 20 30 DEEDHM C=CCC[C@@H]1CCCN1C(=O)c1sccc1-c1nnn[n-]1 ZINC001588582097 1076455968 /nfs/dbraw/zinc/45/59/68/1076455968.db2.gz GUWDFCIUHUHADD-SNVBAGLBSA-N -1 3 303.391 2.499 20 30 DEEDHM C=CCC[C@@H]1CCCN1C(=O)c1sccc1-c1nn[n-]n1 ZINC001588582097 1076455970 /nfs/dbraw/zinc/45/59/70/1076455970.db2.gz GUWDFCIUHUHADD-SNVBAGLBSA-N -1 3 303.391 2.499 20 30 DEEDHM C=CCCC[C@@H](C)OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588594755 1076456219 /nfs/dbraw/zinc/45/62/19/1076456219.db2.gz SCVBKDVNZUADRD-LLVKDONJSA-N -1 3 301.350 2.472 20 30 DEEDHM C=CCCC[C@@H](C)OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588594755 1076456222 /nfs/dbraw/zinc/45/62/22/1076456222.db2.gz SCVBKDVNZUADRD-LLVKDONJSA-N -1 3 301.350 2.472 20 30 DEEDHM C=CCCCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588602011 1076457370 /nfs/dbraw/zinc/45/73/70/1076457370.db2.gz YDOVBMSZQQUDRM-UHFFFAOYSA-N -1 3 316.365 2.305 20 30 DEEDHM C=CCCCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588602011 1076457372 /nfs/dbraw/zinc/45/73/72/1076457372.db2.gz YDOVBMSZQQUDRM-UHFFFAOYSA-N -1 3 316.365 2.305 20 30 DEEDHM C=CCCN(C)c1ncc(-c2nnn[n-]2)cc1Br ZINC001588603830 1076457645 /nfs/dbraw/zinc/45/76/45/1076457645.db2.gz XQFAULGPCBIYLO-UHFFFAOYSA-N -1 3 309.171 2.037 20 30 DEEDHM C=CCCN(C)c1ncc(-c2nn[n-]n2)cc1Br ZINC001588603830 1076457649 /nfs/dbraw/zinc/45/76/49/1076457649.db2.gz XQFAULGPCBIYLO-UHFFFAOYSA-N -1 3 309.171 2.037 20 30 DEEDHM C=CCN(C)c1cc(Br)c(-c2nnn[n-]2)cc1F ZINC001588626106 1076458466 /nfs/dbraw/zinc/45/84/66/1076458466.db2.gz CPJQDURFDQIGTI-UHFFFAOYSA-N -1 3 312.146 2.391 20 30 DEEDHM C=CCN(C)c1cc(Br)c(-c2nn[n-]n2)cc1F ZINC001588626106 1076458468 /nfs/dbraw/zinc/45/84/68/1076458468.db2.gz CPJQDURFDQIGTI-UHFFFAOYSA-N -1 3 312.146 2.391 20 30 DEEDHM C=CCN(CCc1ccco1)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588635842 1076459282 /nfs/dbraw/zinc/45/92/82/1076459282.db2.gz YHJBQQHQHGQUIL-UHFFFAOYSA-N -1 3 310.361 2.398 20 30 DEEDHM C=CCN(CCc1ccco1)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588635842 1076459284 /nfs/dbraw/zinc/45/92/84/1076459284.db2.gz YHJBQQHQHGQUIL-UHFFFAOYSA-N -1 3 310.361 2.398 20 30 DEEDHM C[C@H](C#N)CN(C)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001588931445 1076469995 /nfs/dbraw/zinc/46/99/95/1076469995.db2.gz ZJXRNYNPXBUHIA-MRVPVSSYSA-N -1 3 310.283 2.481 20 30 DEEDHM C[C@H](C#N)CN(C)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001588931445 1076469997 /nfs/dbraw/zinc/46/99/97/1076469997.db2.gz ZJXRNYNPXBUHIA-MRVPVSSYSA-N -1 3 310.283 2.481 20 30 DEEDHM CC(C)(CC#N)CNC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c21 ZINC001589267415 1076482227 /nfs/dbraw/zinc/48/22/27/1076482227.db2.gz WEIUDMJMXXWOJN-UHFFFAOYSA-N -1 3 323.360 2.018 20 30 DEEDHM CC(C)(CC#N)CNC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c21 ZINC001589267415 1076482230 /nfs/dbraw/zinc/48/22/30/1076482230.db2.gz WEIUDMJMXXWOJN-UHFFFAOYSA-N -1 3 323.360 2.018 20 30 DEEDHM CC(C)(CC#N)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589267364 1076482574 /nfs/dbraw/zinc/48/25/74/1076482574.db2.gz SINQJCWOQURUAJ-UHFFFAOYSA-N -1 3 317.328 2.067 20 30 DEEDHM CC(C)(CC#N)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001589267364 1076482575 /nfs/dbraw/zinc/48/25/75/1076482575.db2.gz SINQJCWOQURUAJ-UHFFFAOYSA-N -1 3 317.328 2.067 20 30 DEEDHM CC(CCCc1cccnc1)N=Nc1ccc(-c2nnn[n-]2)cn1 ZINC001589820276 1076518221 /nfs/dbraw/zinc/51/82/21/1076518221.db2.gz GZYQIAIMTHZFKI-UHFFFAOYSA-N -1 3 322.376 2.467 20 30 DEEDHM CC(CCCc1cccnc1)N=Nc1ccc(-c2nn[n-]n2)cn1 ZINC001589820276 1076518226 /nfs/dbraw/zinc/51/82/26/1076518226.db2.gz GZYQIAIMTHZFKI-UHFFFAOYSA-N -1 3 322.376 2.467 20 30 DEEDHM C[C@H](NC(=O)c1cscc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001589951014 1076532644 /nfs/dbraw/zinc/53/26/44/1076532644.db2.gz MZAJXVVYNVNDJD-VIFPVBQESA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@H](NC(=O)c1cscc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589951014 1076532648 /nfs/dbraw/zinc/53/26/48/1076532648.db2.gz MZAJXVVYNVNDJD-VIFPVBQESA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@H](OC(=O)c1ccnc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590015099 1076548054 /nfs/dbraw/zinc/54/80/54/1076548054.db2.gz 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Cn1cc(C=NOCC2CC2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001592567112 1076929852 /nfs/dbraw/zinc/92/98/52/1076929852.db2.gz RCDJWCYQFUWWQU-UHFFFAOYSA-N -1 3 323.360 2.028 20 30 DEEDHM Cn1cc(C=NOCC2CC2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592567112 1076929853 /nfs/dbraw/zinc/92/98/53/1076929853.db2.gz RCDJWCYQFUWWQU-UHFFFAOYSA-N -1 3 323.360 2.028 20 30 DEEDHM N#CC1(CCOC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCCC1 ZINC001592669262 1076949491 /nfs/dbraw/zinc/94/94/91/1076949491.db2.gz VDITWISORHVYSK-UHFFFAOYSA-N -1 3 314.349 2.216 20 30 DEEDHM N#CC1(CCOC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCCC1 ZINC001592669262 1076949494 /nfs/dbraw/zinc/94/94/94/1076949494.db2.gz VDITWISORHVYSK-UHFFFAOYSA-N -1 3 314.349 2.216 20 30 DEEDHM N#CC1CCC(CNc2ccc(-c3nn[n-]n3)cc2CO)CC1 ZINC001592672907 1076950983 /nfs/dbraw/zinc/95/09/83/1076950983.db2.gz PUUDBXKFBUIQSA-UHFFFAOYSA-N -1 3 312.377 2.101 20 30 DEEDHM N#Cc1c(F)cccc1N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592686006 1076951528 /nfs/dbraw/zinc/95/15/28/1076951528.db2.gz DNTQVKBATXQTSG-ZDUSSCGKSA-N -1 3 320.331 2.457 20 30 DEEDHM N#Cc1c(F)cccc1N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592686006 1076951530 /nfs/dbraw/zinc/95/15/30/1076951530.db2.gz DNTQVKBATXQTSG-ZDUSSCGKSA-N -1 3 320.331 2.457 20 30 DEEDHM N#Cc1ccc(CN2CCc3c2cccc3-c2nnn[n-]2)cc1F ZINC001592692756 1076953700 /nfs/dbraw/zinc/95/37/00/1076953700.db2.gz CXOYHXQBNCLXNN-UHFFFAOYSA-N -1 3 320.331 2.440 20 30 DEEDHM N#Cc1ccc(CN2CCc3c2cccc3-c2nn[n-]n2)cc1F ZINC001592692756 1076953702 /nfs/dbraw/zinc/95/37/02/1076953702.db2.gz CXOYHXQBNCLXNN-UHFFFAOYSA-N -1 3 320.331 2.440 20 30 DEEDHM Cc1ccc(CN2[C@@H]3C[C@@H](C(=O)[O-])O[C@H]3CC[C@H]2C)cc1C#N ZINC001600412132 1077196367 /nfs/dbraw/zinc/19/63/67/1077196367.db2.gz ZOJDGSWTVFHHOD-VZEFYGNVSA-N -1 3 314.385 2.462 20 30 DEEDHM N#Cc1nc(C(=O)[O-])ccc1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001601132559 1077346741 /nfs/dbraw/zinc/34/67/41/1077346741.db2.gz BSKAEHQNKFJHFS-CQSZACIVSA-N -1 3 322.368 2.338 20 30 DEEDHM C=CCCCCNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001609053375 1077749349 /nfs/dbraw/zinc/74/93/49/1077749349.db2.gz HJGVJAFGVSERAQ-UHFFFAOYSA-N -1 3 300.366 2.022 20 30 DEEDHM C=CCCCCNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001609053375 1077749354 /nfs/dbraw/zinc/74/93/54/1077749354.db2.gz HJGVJAFGVSERAQ-UHFFFAOYSA-N -1 3 300.366 2.022 20 30 DEEDHM C=C[C@H](OC(=O)COc1ccccc1-c1nnn[n-]1)C(C)(C)C ZINC001609052531 1077750244 /nfs/dbraw/zinc/75/02/44/1077750244.db2.gz GCHFTIANZYCLLY-ZDUSSCGKSA-N -1 3 316.361 2.389 20 30 DEEDHM C=C[C@H](OC(=O)COc1ccccc1-c1nn[n-]n1)C(C)(C)C ZINC001609052531 1077750249 /nfs/dbraw/zinc/75/02/49/1077750249.db2.gz GCHFTIANZYCLLY-ZDUSSCGKSA-N -1 3 316.361 2.389 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001609055101 1077751126 /nfs/dbraw/zinc/75/11/26/1077751126.db2.gz QIQGTCQJEYFIKI-RYUDHWBXSA-N -1 3 315.377 2.025 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001609055101 1077751132 /nfs/dbraw/zinc/75/11/32/1077751132.db2.gz QIQGTCQJEYFIKI-RYUDHWBXSA-N -1 3 315.377 2.025 20 30 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CC(=O)NCc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000041562861 354175255 /nfs/dbraw/zinc/17/52/55/354175255.db2.gz ZWIYTNOTFCPMEU-INIZCTEOSA-N -1 3 322.368 2.220 20 30 DEEDHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1ccccc1C#N ZINC000031617978 354138309 /nfs/dbraw/zinc/13/83/09/354138309.db2.gz VMYJVCKEOSKZNE-UHFFFAOYSA-N -1 3 315.354 2.029 20 30 DEEDHM CCCN(CC1CC1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000052819468 354413116 /nfs/dbraw/zinc/41/31/16/354413116.db2.gz HLIXWNXASYZJJM-UHFFFAOYSA-N -1 3 315.417 2.445 20 30 DEEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccc(C)o1 ZINC000080789189 192190877 /nfs/dbraw/zinc/19/08/77/192190877.db2.gz DAAUBXFUPCFAPR-AWEZNQCLSA-N -1 3 320.370 2.126 20 30 DEEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c(F)c1 ZINC000578075007 356757793 /nfs/dbraw/zinc/75/77/93/356757793.db2.gz PXPXZKVQXYZVSA-SNVBAGLBSA-N -1 3 318.320 2.411 20 30 DEEDHM CC(C)c1cc(C[N-]S(=O)(=O)Cc2ccc(C#N)cc2)on1 ZINC000588890889 357432408 /nfs/dbraw/zinc/43/24/08/357432408.db2.gz HRTLIOXVFKVXCA-UHFFFAOYSA-N -1 3 319.386 2.289 20 30 DEEDHM N#Cc1c(F)cccc1N1CCN(Cc2ncccc2[O-])CC1 ZINC000589160165 357448647 /nfs/dbraw/zinc/44/86/47/357448647.db2.gz YERFESIRQOYEMK-UHFFFAOYSA-N -1 3 312.348 2.120 20 30 DEEDHM C[N-]S(=O)(=O)c1ccc(CNc2ccc(C#N)cc2)s1 ZINC000590812807 357617686 /nfs/dbraw/zinc/61/76/86/357617686.db2.gz PAOCWRXAKHFCEE-UHFFFAOYSA-N -1 3 307.400 2.140 20 30 DEEDHM N#Cc1cnccc1NC([O-])=C(C[C@@H]1CCCO1)C(F)(F)F ZINC000593055502 357997072 /nfs/dbraw/zinc/99/70/72/357997072.db2.gz KWODWJQQEYKATG-QWRGUYRKSA-N -1 3 313.279 2.061 20 30 DEEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCS2)c(Cl)c1 ZINC000180128687 199119879 /nfs/dbraw/zinc/11/98/79/199119879.db2.gz MGZMMFXGMJSEIZ-SNVBAGLBSA-N -1 3 316.835 2.386 20 30 DEEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCOC1 ZINC000594765068 358334289 /nfs/dbraw/zinc/33/42/89/358334289.db2.gz IQBRVYMLBMIVEV-LLVKDONJSA-N -1 3 322.411 2.149 20 30 DEEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC(C)(C)O ZINC000594763228 358334488 /nfs/dbraw/zinc/33/44/88/358334488.db2.gz YHZYMYBARKDMHG-UHFFFAOYSA-N -1 3 324.427 2.131 20 30 DEEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1ccc(OC(F)F)c(OC)c1 ZINC000596022766 358595355 /nfs/dbraw/zinc/59/53/55/358595355.db2.gz SIMTVWDYVFDRHP-VIFPVBQESA-N -1 3 320.317 2.340 20 30 DEEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(F)c(F)c1 ZINC000428237780 237113511 /nfs/dbraw/zinc/11/35/11/237113511.db2.gz JSZIYTAXXHJEMI-VIFPVBQESA-N -1 3 323.324 2.271 20 30 DEEDHM C[C@H](CCCC(F)(F)F)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428368577 237142770 /nfs/dbraw/zinc/14/27/70/237142770.db2.gz FETXEYGGFMKIIN-SECBINFHSA-N -1 3 321.324 2.353 20 30 DEEDHM Cc1cc(F)cc(C#N)c1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000601407039 360032317 /nfs/dbraw/zinc/03/23/17/360032317.db2.gz VEHPRLFCJRGPQU-UHFFFAOYSA-N -1 3 318.320 2.329 20 30 DEEDHM CCC[C@@H](CCO)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000601485049 360053470 /nfs/dbraw/zinc/05/34/70/360053470.db2.gz XFACMSRCMGOLCW-NSHDSACASA-N -1 3 316.810 2.041 20 30 DEEDHM N#Cc1ccc(N2[N-]C(=O)[C@H]3CCC[C@H]3C2=O)cc1C(F)(F)F ZINC000601938805 360199797 /nfs/dbraw/zinc/19/97/97/360199797.db2.gz JPPJRBHZFVLNDL-WDEREUQCSA-N -1 3 323.274 2.371 20 30 DEEDHM N#CCSCC(=O)Nc1ccc(Br)cc1[O-] ZINC000603626711 360849826 /nfs/dbraw/zinc/84/98/26/360849826.db2.gz VCCWDOZVSLNQKI-UHFFFAOYSA-N -1 3 301.165 2.350 20 30 DEEDHM CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[O-] ZINC000671997845 541017332 /nfs/dbraw/zinc/01/73/32/541017332.db2.gz OYPSYXCRNBBBCX-SNVBAGLBSA-N -1 3 305.161 2.253 20 30 DEEDHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C#N)CC(C)C)cc1F ZINC000611113875 361528110 /nfs/dbraw/zinc/52/81/10/361528110.db2.gz OJXXMAGOZCAIMD-JTQLQIEISA-N -1 3 302.346 2.490 20 30 DEEDHM Cc1ncc(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)s1 ZINC000611106636 361527259 /nfs/dbraw/zinc/52/72/59/361527259.db2.gz OKVCQIJELKOUSC-VIFPVBQESA-N -1 3 307.400 2.363 20 30 DEEDHM Cc1cccc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1[O-] ZINC000611280040 361569789 /nfs/dbraw/zinc/56/97/89/361569789.db2.gz BMQKIGZVUWCGGT-OAHLLOKOSA-N -1 3 301.390 2.007 20 30 DEEDHM N#CCc1cccc(S(=O)(=O)[N-]c2c(F)cccc2CO)c1 ZINC000619463478 363804072 /nfs/dbraw/zinc/80/40/72/363804072.db2.gz GANYKXGQOCCNBN-UHFFFAOYSA-N -1 3 320.345 2.185 20 30 DEEDHM C=CCCOCc1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1 ZINC000680674239 542037919 /nfs/dbraw/zinc/03/79/19/542037919.db2.gz YIAATISOQSTTFX-UHFFFAOYSA-N -1 3 323.374 2.201 20 30 DEEDHM N#Cc1cccc(C2(NC(=O)/C=C\c3cncc([O-])c3)CC2)c1 ZINC000492799205 249142767 /nfs/dbraw/zinc/14/27/67/249142767.db2.gz VMZKYOPKQKDIMH-PLNGDYQASA-N -1 3 305.337 2.478 20 30 DEEDHM N#Cc1cccc(C[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000042007678 183228408 /nfs/dbraw/zinc/22/84/08/183228408.db2.gz JLEIPNGRWUMQRI-UHFFFAOYSA-N -1 3 308.309 2.315 20 30 DEEDHM COCCCn1ccc([N-]c2cc(C#N)ccc2[N+](=O)[O-])n1 ZINC000274265664 211469458 /nfs/dbraw/zinc/46/94/58/211469458.db2.gz PBTPIYVBHSBVEV-UHFFFAOYSA-N -1 3 301.306 2.443 20 30 DEEDHM CS[C@@H](C)C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000158009558 197234816 /nfs/dbraw/zinc/23/48/16/197234816.db2.gz JIZWIQADKZUVFT-QMMMGPOBSA-N -1 3 304.824 2.241 20 30 DEEDHM C#CCOc1ccc(F)cc1NC([O-])=NO[C@H]1CCCCO1 ZINC000156112263 197087957 /nfs/dbraw/zinc/08/79/57/197087957.db2.gz CSFCRQXVCLRYPE-AWEZNQCLSA-N -1 3 308.309 2.417 20 30 DEEDHM C#CCOc1ccc(F)cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC000156112263 197087959 /nfs/dbraw/zinc/08/79/59/197087959.db2.gz CSFCRQXVCLRYPE-AWEZNQCLSA-N -1 3 308.309 2.417 20 30 DEEDHM COC(=O)c1cc([N-]C(=O)c2cnccc2C#N)c(F)cc1F ZINC000340774059 132186173 /nfs/dbraw/zinc/18/61/73/132186173.db2.gz HFBRBIPICYSGIZ-UHFFFAOYSA-N -1 3 317.251 2.270 20 30 DEEDHM N#Cc1ccc(CNC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1F ZINC000563406449 292053991 /nfs/dbraw/zinc/05/39/91/292053991.db2.gz JWMODYNEJHRIAX-UHFFFAOYSA-N -1 3 312.304 2.000 20 30 DEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000008735728 401755810 /nfs/dbraw/zinc/75/58/10/401755810.db2.gz FQTBVSUYFJYSTI-MEDUHNTESA-N -1 3 315.417 2.491 20 30 DEEDHM N#CCCCC[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000112734162 401757051 /nfs/dbraw/zinc/75/70/51/401757051.db2.gz OJNBUICRMAEIGU-UHFFFAOYSA-N -1 3 323.237 2.483 20 30 DEEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000130289389 401826003 /nfs/dbraw/zinc/82/60/03/401826003.db2.gz XOYQNMWYJHORAN-UHFFFAOYSA-N -1 3 318.340 2.223 20 30 DEEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000130289389 401826005 /nfs/dbraw/zinc/82/60/05/401826005.db2.gz XOYQNMWYJHORAN-UHFFFAOYSA-N -1 3 318.340 2.223 20 30 DEEDHM CC(C)n1cnc(S(=O)(=O)[N-][C@]2(C#N)CCC[C@@H](C)C2)c1 ZINC000130511615 401834403 /nfs/dbraw/zinc/83/44/03/401834403.db2.gz NIZOCLLHBFXXPW-TZMCWYRMSA-N -1 3 310.423 2.215 20 30 DEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C)C[C@H]1C ZINC000078008106 401837935 /nfs/dbraw/zinc/83/79/35/401837935.db2.gz SPKCSCSWMQKYQN-VXGBXAGGSA-N -1 3 315.417 2.443 20 30 DEEDHM CC(=O)Nc1ccc([O-])c(C(=O)N(C)Cc2cccc(C#N)c2)c1 ZINC000055218679 402078041 /nfs/dbraw/zinc/07/80/41/402078041.db2.gz HWNVUCYGEUQLER-UHFFFAOYSA-N -1 3 323.352 2.494 20 30 DEEDHM C=C(C)C[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000122640091 402088489 /nfs/dbraw/zinc/08/84/89/402088489.db2.gz OOXOWXOWMFBTMD-UHFFFAOYSA-N -1 3 320.208 2.312 20 30 DEEDHM N#Cc1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000104365582 402203479 /nfs/dbraw/zinc/20/34/79/402203479.db2.gz DGKNQEUZHHOOQE-UHFFFAOYSA-N -1 3 318.340 2.310 20 30 DEEDHM N#Cc1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000104365582 402203481 /nfs/dbraw/zinc/20/34/81/402203481.db2.gz DGKNQEUZHHOOQE-UHFFFAOYSA-N -1 3 318.340 2.310 20 30 DEEDHM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2ccccn2)NC1=O ZINC000103798393 402194338 /nfs/dbraw/zinc/19/43/38/402194338.db2.gz AVGFJUJJUWKCMQ-ZYHUDNBSSA-N -1 3 307.309 2.291 20 30 DEEDHM CCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000069344553 402218810 /nfs/dbraw/zinc/21/88/10/402218810.db2.gz KPHVFLOXILIVAK-CQSZACIVSA-N -1 3 314.366 2.365 20 30 DEEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H]1CCCS1 ZINC000126237211 402270751 /nfs/dbraw/zinc/27/07/51/402270751.db2.gz KXWYXDQZWCKNTH-NSHDSACASA-N -1 3 316.835 2.386 20 30 DEEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)s1 ZINC000230339265 402350643 /nfs/dbraw/zinc/35/06/43/402350643.db2.gz VVWHJOLCYYIZGN-UHFFFAOYSA-N -1 3 314.338 2.376 20 30 DEEDHM C[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1CCCO1 ZINC000160772366 402360399 /nfs/dbraw/zinc/36/03/99/402360399.db2.gz PRCHCJGYVITEJU-JOYOIKCWSA-N -1 3 314.794 2.057 20 30 DEEDHM CC[C@H](C#N)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000160852396 402362768 /nfs/dbraw/zinc/36/27/68/402362768.db2.gz GFJIOWZLHDKBJA-MRVPVSSYSA-N -1 3 310.272 2.425 20 30 DEEDHM CC1([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCOCC1 ZINC000161047793 402370701 /nfs/dbraw/zinc/37/07/01/402370701.db2.gz OSHRZQKMAXWRIM-UHFFFAOYSA-N -1 3 314.794 2.059 20 30 DEEDHM C=C(C)CN(CC)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000170826193 402529673 /nfs/dbraw/zinc/52/96/73/402529673.db2.gz TYFJBVFBUNNMBC-UHFFFAOYSA-N -1 3 304.390 2.245 20 30 DEEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000280489892 403005293 /nfs/dbraw/zinc/00/52/93/403005293.db2.gz BBQYUVLYIAELAX-YGRLFVJLSA-N -1 3 317.357 2.224 20 30 DEEDHM C=C(C)CS(=O)(=O)[N-]Cc1noc(-c2ccccc2C)n1 ZINC000280533007 403009926 /nfs/dbraw/zinc/00/99/26/403009926.db2.gz HAYZWRJARCAUQO-UHFFFAOYSA-N -1 3 307.375 2.041 20 30 DEEDHM C=CCCN(C)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000276084232 403144847 /nfs/dbraw/zinc/14/48/47/403144847.db2.gz BGHLRGPDQYDQMR-UHFFFAOYSA-N -1 3 321.402 2.500 20 30 DEEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)C(C)(C)O ZINC000339069624 403342224 /nfs/dbraw/zinc/34/22/24/403342224.db2.gz YIHSSWFLNRFLSQ-LBPRGKRZSA-N -1 3 316.810 2.039 20 30 DEEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)cc1F ZINC000293449777 403475413 /nfs/dbraw/zinc/47/54/13/403475413.db2.gz PBJKYPYHXKFVOI-UHFFFAOYSA-N -1 3 310.272 2.318 20 30 DEEDHM Cc1nsc(NCCCNC(=O)c2cccc([O-])c2)c1C#N ZINC000287925093 403691946 /nfs/dbraw/zinc/69/19/46/403691946.db2.gz PEKGNFLRVSHMPZ-UHFFFAOYSA-N -1 3 316.386 2.261 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000288418846 403750948 /nfs/dbraw/zinc/75/09/48/403750948.db2.gz RDTVVMFONFMFRT-AWEZNQCLSA-N -1 3 314.382 2.275 20 30 DEEDHM CCOc1cccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c1 ZINC000344282863 404028926 /nfs/dbraw/zinc/02/89/26/404028926.db2.gz NGNFBEPZEWQYIE-UHFFFAOYSA-N -1 3 306.343 2.028 20 30 DEEDHM CC(C)[C@@H](O)C1(CNC(=O)c2cc(F)cc3nn[n-]c32)CC1 ZINC000328652463 404124056 /nfs/dbraw/zinc/12/40/56/404124056.db2.gz KNEJYIXTPPRLQM-CYBMUJFWSA-N -1 3 306.341 2.199 20 30 DEEDHM CC(C)[C@@H](O)C1(CNC(=O)c2cc(F)cc3[n-]nnc32)CC1 ZINC000328652463 404124063 /nfs/dbraw/zinc/12/40/63/404124063.db2.gz KNEJYIXTPPRLQM-CYBMUJFWSA-N -1 3 306.341 2.199 20 30 DEEDHM CC(C)[C@@H](O)C1(CNC(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000328652463 404124072 /nfs/dbraw/zinc/12/40/72/404124072.db2.gz KNEJYIXTPPRLQM-CYBMUJFWSA-N -1 3 306.341 2.199 20 30 DEEDHM Cn1ncc(C(=O)[N-]c2nnc(-c3ccccc3)s2)c1C#N ZINC000355047508 404178833 /nfs/dbraw/zinc/17/88/33/404178833.db2.gz YPDPTUZFVDIONZ-UHFFFAOYSA-N -1 3 310.342 2.063 20 30 DEEDHM CCC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)OC ZINC000296339628 404204909 /nfs/dbraw/zinc/20/49/09/404204909.db2.gz VKLZGUGCPAOQPH-GFCCVEGCSA-N -1 3 316.810 2.305 20 30 DEEDHM N#Cc1ccncc1C(=O)[N-]c1nnc(-c2ccccn2)s1 ZINC000342045545 404331897 /nfs/dbraw/zinc/33/18/97/404331897.db2.gz ODZCPZHBUGXSBS-UHFFFAOYSA-N -1 3 308.326 2.119 20 30 DEEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cccc(F)c1F ZINC000344737497 404339900 /nfs/dbraw/zinc/33/99/00/404339900.db2.gz FPHVJNALOBCMFZ-MRVPVSSYSA-N -1 3 312.297 2.469 20 30 DEEDHM CC(C)(C#N)CNC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000355878391 404375174 /nfs/dbraw/zinc/37/51/74/404375174.db2.gz IPIKTARZGDUJFP-UHFFFAOYSA-N -1 3 305.284 2.086 20 30 DEEDHM O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)c1csc(=O)[n-]1 ZINC000329926867 404496688 /nfs/dbraw/zinc/49/66/88/404496688.db2.gz LBUDNJCTOYOLBW-LLVKDONJSA-N -1 3 323.418 2.477 20 30 DEEDHM Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NC(=O)c1csc(=O)[n-]1 ZINC000329988780 404516452 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1076950451 /nfs/dbraw/zinc/95/04/51/1076950451.db2.gz OQULQCCDUIABHP-UHFFFAOYSA-N -1 3 317.736 2.371 20 30 DEEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cn2ccccc2n1 ZINC001592793330 1076960349 /nfs/dbraw/zinc/96/03/49/1076960349.db2.gz AGBYOOHZBXJBAO-BQYQJAHWSA-N -1 3 316.324 2.411 20 30 DEEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cn2ccccc2n1 ZINC001592793330 1076960352 /nfs/dbraw/zinc/96/03/52/1076960352.db2.gz AGBYOOHZBXJBAO-BQYQJAHWSA-N -1 3 316.324 2.411 20 30 DEEDHM O=C(CC#Cc1ccccc1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001592802446 1076960887 /nfs/dbraw/zinc/96/08/87/1076960887.db2.gz AMBDVFBSUYMGOC-UHFFFAOYSA-N -1 3 303.325 2.247 20 30 DEEDHM O=C(CC#Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001592802446 1076960888 /nfs/dbraw/zinc/96/08/88/1076960888.db2.gz AMBDVFBSUYMGOC-UHFFFAOYSA-N -1 3 303.325 2.247 20 30 DEEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)C(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001601047809 1077325195 /nfs/dbraw/zinc/32/51/95/1077325195.db2.gz YIJUKENVBOFWJL-SBMIAAHKSA-N -1 3 320.732 2.098 20 30 DEEDHM N#Cc1cccc(CN[C@H](Cc2cc3ccccc3o2)C(=O)[O-])n1 ZINC001608217817 1077612307 /nfs/dbraw/zinc/61/23/07/1077612307.db2.gz UUOWMQFZAWZOFH-MRXNPFEDSA-N -1 3 321.336 2.485 20 30 DEEDHM C=CCN(CCOC)c1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001609055727 1077750896 /nfs/dbraw/zinc/75/08/96/1077750896.db2.gz RUFMMPORLBWEFP-UHFFFAOYSA-N -1 3 310.361 2.054 20 30 DEEDHM C=CCN(CCOC)c1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001609055727 1077750898 /nfs/dbraw/zinc/75/08/98/1077750898.db2.gz RUFMMPORLBWEFP-UHFFFAOYSA-N -1 3 310.361 2.054 20 30 DEEDHM CC(C)C[C@H](C)CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001609092987 1077759592 /nfs/dbraw/zinc/75/95/92/1077759592.db2.gz KJSBWFQEONBYDP-VIFPVBQESA-N -1 3 317.422 2.490 20 30 DEEDHM CC(C)C[C@H](C)CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001609092987 1077759598 /nfs/dbraw/zinc/75/95/98/1077759598.db2.gz KJSBWFQEONBYDP-VIFPVBQESA-N -1 3 317.422 2.490 20 30 DEEDHM C[C@H]1OCC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@H]1C ZINC001609178941 1077786052 /nfs/dbraw/zinc/78/60/52/1077786052.db2.gz 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691196354 /nfs/dbraw/zinc/19/63/54/691196354.db2.gz OXEFDEGGFHNABI-LJQANCHMSA-N -1 3 320.480 2.055 20 30 DEEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924084613 693088852 /nfs/dbraw/zinc/08/88/52/693088852.db2.gz UJQQPCPAGKEHKQ-MRVPVSSYSA-N -1 3 323.299 2.348 20 30 DEEDHM C=C(Cl)CN1CCC[C@@H](NC(=O)c2ncccc2[O-])CC1 ZINC001052330865 693508335 /nfs/dbraw/zinc/50/83/35/693508335.db2.gz DVZUHAGVATVMSQ-GFCCVEGCSA-N -1 3 309.797 2.124 20 30 DEEDHM C=C(C)Cn1c(-c2cnc[n-]c2=O)nnc1N1CC=C(C)CC1 ZINC001343666732 1150761589 /nfs/dbraw/zinc/76/15/89/1150761589.db2.gz DRESGMZKYZDECW-UHFFFAOYSA-N -1 3 312.377 2.173 20 30 DEEDHM CC(=O)c1ccc(C(=O)[N-]c2ncc3c(c2C#N)COCC3)o1 ZINC001361516200 1152660619 /nfs/dbraw/zinc/66/06/19/1152660619.db2.gz OXFQQCVPSKNGRI-UHFFFAOYSA-N -1 3 311.297 2.074 20 30 DEEDHM CCOc1nc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)co1 ZINC001361571118 1152678326 /nfs/dbraw/zinc/67/83/26/1152678326.db2.gz MJTADACHHOJFHF-UHFFFAOYSA-N -1 3 312.329 2.471 20 30 DEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccsn1 ZINC001361604848 1152689701 /nfs/dbraw/zinc/68/97/01/1152689701.db2.gz VYSUFEQKNZVNAP-UHFFFAOYSA-N -1 3 302.359 2.304 20 30 DEEDHM C=C(Cl)CNC[C@](C)(NC(=O)c1ncccc1[O-])C1CC1 ZINC001391786760 1156802676 /nfs/dbraw/zinc/80/26/76/1156802676.db2.gz JOTOKIKRUBEDEB-HNNXBMFYSA-N -1 3 309.797 2.028 20 30 DEEDHM CCOC(=O)c1cc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)[n-]n1 ZINC001417702307 1167154275 /nfs/dbraw/zinc/15/42/75/1167154275.db2.gz SOCPPVQJNOAMKH-CLIRUNRCSA-N -1 3 316.361 2.245 20 30 DEEDHM CCOC(=O)c1cc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)n[n-]1 ZINC001417702307 1167154284 /nfs/dbraw/zinc/15/42/84/1167154284.db2.gz SOCPPVQJNOAMKH-CLIRUNRCSA-N -1 3 316.361 2.245 20 30 DEEDHM N#Cc1c([N-]C(=O)c2cnc(C3CC3)o2)ncc2c1COCC2 ZINC001433535141 1177866632 /nfs/dbraw/zinc/86/66/32/1177866632.db2.gz UIXALGMUARERSI-UHFFFAOYSA-N -1 3 310.313 2.144 20 30 DEEDHM CCOC([O-])=NC(=S)Nc1ncccc1NCCCS ZINC001171011035 790429070 /nfs/dbraw/zinc/42/90/70/790429070.db2.gz KYFJLUWAGKGAGR-UHFFFAOYSA-N -1 3 314.436 2.256 20 30 DEEDHM CCOC(=O)[N-]C(=S)Nc1ncccc1NCCCS ZINC001171011035 790429078 /nfs/dbraw/zinc/42/90/78/790429078.db2.gz KYFJLUWAGKGAGR-UHFFFAOYSA-N -1 3 314.436 2.256 20 30 DEEDHM N#CCN1CC[C@@H](Oc2c([O-])cc(Br)cc2F)C1 ZINC001227588976 779739326 /nfs/dbraw/zinc/73/93/26/779739326.db2.gz WNDVCOFEFRKMFA-SECBINFHSA-N -1 3 315.142 2.270 20 30 DEEDHM C=CCCC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])[C@@H](C)C1 ZINC001073741551 790834265 /nfs/dbraw/zinc/83/42/65/790834265.db2.gz PKKVLRBXTKOSAP-DZGCQCFKSA-N -1 3 316.401 2.325 20 30 DEEDHM C=CCCSCC[N-]S(=O)(=O)c1cccnc1Cl ZINC000696064809 781844730 /nfs/dbraw/zinc/84/47/30/781844730.db2.gz WFELKYXATHGSPN-UHFFFAOYSA-N -1 3 306.840 2.323 20 30 DEEDHM Cc1ccc(C#N)c(NC[C@H](C)NC(=O)c2ccccc2[O-])n1 ZINC001108252241 784482057 /nfs/dbraw/zinc/48/20/57/784482057.db2.gz HHYXSPBHOBZUJX-LBPRGKRZSA-N -1 3 310.357 2.198 20 30 DEEDHM N#Cc1c(Br)ccnc1NCc1ncccc1[O-] ZINC001169732636 785341843 /nfs/dbraw/zinc/34/18/43/785341843.db2.gz NOEYEOKRMZJQBI-UHFFFAOYSA-N -1 3 305.135 2.428 20 30 DEEDHM N#Cc1ccc(NC2(CNC(=O)c3ccccc3[O-])CC2)cn1 ZINC001110075796 786154635 /nfs/dbraw/zinc/15/46/35/786154635.db2.gz OGLVXSQCSKPPIB-UHFFFAOYSA-N -1 3 308.341 2.033 20 30 DEEDHM Cc1cc(N[C@H](C)[C@@H](C)NC(=O)c2ccccc2[O-])c(C#N)cn1 ZINC001112910359 786290859 /nfs/dbraw/zinc/29/08/59/786290859.db2.gz FUOMNYADDIENQT-CHWSQXEVSA-N -1 3 324.384 2.008 20 30 DEEDHM C[C@H](CCNC(=O)c1ccccc1[O-])Nc1ccc(C#N)cn1 ZINC001098838936 791959104 /nfs/dbraw/zinc/95/91/04/791959104.db2.gz VQQBPDMAWKUXFL-GFCCVEGCSA-N -1 3 310.357 2.279 20 30 DEEDHM CC[C@@H](CNC(=O)c1ccccc1[O-])Nc1ncccc1C#N ZINC001102979932 793853954 /nfs/dbraw/zinc/85/39/54/793853954.db2.gz RWEKTOXXASIBIA-ZDUSSCGKSA-N -1 3 310.357 2.279 20 30 DEEDHM N#CCOc1cccc(CC(=O)NCc2c([O-])cccc2F)c1 ZINC001178413332 794922058 /nfs/dbraw/zinc/92/20/58/794922058.db2.gz QSNZKMCNJYVDQV-UHFFFAOYSA-N -1 3 314.316 2.293 20 30 DEEDHM C[C@@H](C(=O)Nc1ccc([O-])c(C#N)c1)N(C)C(=O)OC(C)(C)C ZINC001179595451 795141250 /nfs/dbraw/zinc/14/12/50/795141250.db2.gz QIBYRCVIJDUMAB-JTQLQIEISA-N -1 3 319.361 2.458 20 30 DEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC[C@@H]1CC ZINC001121635671 795664854 /nfs/dbraw/zinc/66/48/54/795664854.db2.gz IIGKAFNCBZKVDR-NSHDSACASA-N -1 3 300.366 2.006 20 30 DEEDHM CCOC(=O)c1cc(NC(=O)C2(c3ccccc3C#N)CC2)[n-]n1 ZINC001183286160 795852007 /nfs/dbraw/zinc/85/20/07/795852007.db2.gz MWQIALKRCSKCPC-UHFFFAOYSA-N -1 3 324.340 2.128 20 30 DEEDHM CCOC(=O)c1cc(NC(=O)C2(c3ccccc3C#N)CC2)n[n-]1 ZINC001183286160 795852011 /nfs/dbraw/zinc/85/20/11/795852011.db2.gz MWQIALKRCSKCPC-UHFFFAOYSA-N -1 3 324.340 2.128 20 30 DEEDHM N#Cc1cc(NC(=O)[C@H]2CCc3ccccc3[C@@H]2O)ccc1[O-] ZINC001183393225 795864632 /nfs/dbraw/zinc/86/46/32/795864632.db2.gz ZWVYTBWJJYZKCH-RDJZCZTQSA-N -1 3 308.337 2.498 20 30 DEEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC001123845632 795986255 /nfs/dbraw/zinc/98/62/55/795986255.db2.gz WSBVBRMKXAISKB-BXUZGUMPSA-N -1 3 313.357 2.281 20 30 DEEDHM CN1CCCC[C@@H](C(=O)N([O-])CCCCc2ccccc2)C1=O ZINC001184305903 796029361 /nfs/dbraw/zinc/02/93/61/796029361.db2.gz WIHONNNKXPONBO-MRXNPFEDSA-N -1 3 318.417 2.486 20 30 DEEDHM CC(=O)NC[C@@H](C(=O)Nc1ccc([O-])c(C#N)c1)c1ccccc1 ZINC001185951166 796337785 /nfs/dbraw/zinc/33/77/85/796337785.db2.gz DYCCUZDYFAMNCR-MRXNPFEDSA-N -1 3 323.352 2.122 20 30 DEEDHM C=CCOC[C@@H]1CCC[C@@]12CN(Cc1ccncc1[O-])CCO2 ZINC001140276212 796499197 /nfs/dbraw/zinc/49/91/97/796499197.db2.gz GXJZAHCDVMLEBP-FUHWJXTLSA-N -1 3 318.417 2.361 20 30 DEEDHM C=CCO[N-]C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC001140879877 796589799 /nfs/dbraw/zinc/58/97/99/796589799.db2.gz RRBGOQZKRDESJM-UHFFFAOYSA-N -1 3 315.123 2.134 20 30 DEEDHM N#Cc1cnnc(-c2ccccc2)c1[N-]C(=O)c1ccc(CO)o1 ZINC001189146510 796774655 /nfs/dbraw/zinc/77/46/55/796774655.db2.gz PFQIPJPQAGJRGL-UHFFFAOYSA-N -1 3 320.308 2.353 20 30 DEEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](F)C2)c1 ZINC001190658507 797042631 /nfs/dbraw/zinc/04/26/31/797042631.db2.gz XVBXANNLCGMCFF-GHMZBOCLSA-N -1 3 300.330 2.256 20 30 DEEDHM COC(=O)c1cc(C#N)cc([N-]S(=O)(=O)CC2CCCC2)c1 ZINC001191535287 797218031 /nfs/dbraw/zinc/21/80/31/797218031.db2.gz HKUQAQHSHBOFBV-UHFFFAOYSA-N -1 3 322.386 2.277 20 30 DEEDHM C=CCOCC[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001192923523 797475481 /nfs/dbraw/zinc/47/54/81/797475481.db2.gz WVDRBDPCIRJXRJ-UHFFFAOYSA-N -1 3 324.427 2.291 20 30 DEEDHM Cc1cc([N-]S(=O)(=O)CC#N)c(C)cc1Br ZINC001192978871 797484924 /nfs/dbraw/zinc/48/49/24/797484924.db2.gz KLRDESMCNJBKCS-UHFFFAOYSA-N -1 3 303.181 2.331 20 30 DEEDHM C[C@@H](C#N)S(=O)(=O)[N-]c1ccnc(Cl)c1Br ZINC001193104531 797503200 /nfs/dbraw/zinc/50/32/00/797503200.db2.gz KMSCJNIQASQNCK-YFKPBYRVSA-N -1 3 324.587 2.151 20 30 DEEDHM Cc1c(Br)[nH]nc1C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001195600351 797928394 /nfs/dbraw/zinc/92/83/94/797928394.db2.gz UUWHZNOERZQECI-UHFFFAOYSA-N -1 3 321.134 2.310 20 30 DEEDHM COc1ccc(F)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)c1 ZINC001196779916 798110017 /nfs/dbraw/zinc/11/00/17/798110017.db2.gz IMMDCUXFMWJDLB-UHFFFAOYSA-N -1 3 312.366 2.197 20 30 DEEDHM N#Cc1cc([N-]S(=O)(=O)Cc2cccnc2)cc(F)c1F ZINC001197464013 798190590 /nfs/dbraw/zinc/19/05/90/798190590.db2.gz GTGMHJCJPQRMHF-UHFFFAOYSA-N -1 3 309.297 2.173 20 30 DEEDHM N#Cc1coc(C[N-]S(=O)(=O)Cc2c(F)cccc2F)c1 ZINC001197633955 798222103 /nfs/dbraw/zinc/22/21/03/798222103.db2.gz GCXAILLTIISRHW-UHFFFAOYSA-N -1 3 312.297 2.049 20 30 DEEDHM CSc1nc(Cl)c(/C=N/[O-])c(NC2CN(C(C)C)C2)n1 ZINC001157525850 798222606 /nfs/dbraw/zinc/22/26/06/798222606.db2.gz HNVUDZAXWJAQLA-LNKIKWGQSA-N -1 3 315.830 2.165 20 30 DEEDHM N#Cc1cc(NC(=O)c2cn(-c3ccccn3)cn2)ccc1[O-] ZINC001199113463 798444424 /nfs/dbraw/zinc/44/44/24/798444424.db2.gz DWGHCTYQHJANTD-UHFFFAOYSA-N -1 3 305.297 2.097 20 30 DEEDHM COC(=O)n1ncc(C#N)c1[N-]c1nc(SC)ncc1Cl ZINC001158967272 798496743 /nfs/dbraw/zinc/49/67/43/798496743.db2.gz NOADPVIWSABUBV-UHFFFAOYSA-N -1 3 324.753 2.278 20 30 DEEDHM CC(C)c1ccc2ncnc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)c2c1 ZINC001160176306 798658743 /nfs/dbraw/zinc/65/87/43/798658743.db2.gz LLCQPNNFPLTTSY-HZMBPMFUSA-N -1 3 300.362 2.401 20 30 DEEDHM N#CCc1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001160949476 798767982 /nfs/dbraw/zinc/76/79/82/798767982.db2.gz ZKLQTMNASWJQCO-UHFFFAOYSA-N -1 3 318.340 2.109 20 30 DEEDHM N#CCc1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001160949476 798767984 /nfs/dbraw/zinc/76/79/84/798767984.db2.gz ZKLQTMNASWJQCO-UHFFFAOYSA-N -1 3 318.340 2.109 20 30 DEEDHM C=CC[N-]S(=O)(=O)c1ncccc1OCc1ccccc1 ZINC001201900779 798805413 /nfs/dbraw/zinc/80/54/13/798805413.db2.gz UJNUXODIVKNRNR-UHFFFAOYSA-N -1 3 304.371 2.125 20 30 DEEDHM C[C@H]1CN([O-])C(=O)[C@H]1NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC001202421446 798884859 /nfs/dbraw/zinc/88/48/59/798884859.db2.gz WCDHIMFCKVAQDV-XVKPBYJWSA-N -1 3 317.267 2.063 20 30 DEEDHM N#Cc1cccc(O[N-]C(=O)c2cccnc2Br)c1 ZINC001161726669 798923771 /nfs/dbraw/zinc/92/37/71/798923771.db2.gz ACWIQQMDFZYJIX-UHFFFAOYSA-N -1 3 318.130 2.440 20 30 DEEDHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(c2ccccc2OCC)C1 ZINC001161827006 798945203 /nfs/dbraw/zinc/94/52/03/798945203.db2.gz SIWIZKXKARVCSP-ZDUSSCGKSA-N -1 3 320.389 2.456 20 30 DEEDHM C=CCNC(=O)Nc1cc(I)ccc1[O-] ZINC001202572117 799274605 /nfs/dbraw/zinc/27/46/05/799274605.db2.gz WOZUMRZAJCXFQG-UHFFFAOYSA-N -1 3 318.114 2.304 20 30 DEEDHM N#Cc1cccc2[nH]cc(C(=O)N3CC[C@@H](c4cc(=O)[nH][n-]4)C3)c21 ZINC001164328388 799574589 /nfs/dbraw/zinc/57/45/89/799574589.db2.gz BEKPXQAYQUVVJE-LLVKDONJSA-N -1 3 321.340 2.098 20 30 DEEDHM CC1=C(Oc2cc(O)cc([O-])c2Br)C(=O)[C@H](C)O1 ZINC001229101043 801224632 /nfs/dbraw/zinc/22/46/32/801224632.db2.gz WOJIQFZXCFIGAM-YFKPBYRVSA-N -1 3 315.119 2.458 20 30 DEEDHM CCCNC(=O)[C@@H]1CCCCN1Cc1ccc(C#N)cc1[O-] ZINC001233386576 802101507 /nfs/dbraw/zinc/10/15/07/802101507.db2.gz ZFGNOBNVFVPFOJ-HNNXBMFYSA-N -1 3 301.390 2.145 20 30 DEEDHM CCCNC(=O)[C@H]1CCCCN1Cc1ccc(C#N)cc1[O-] ZINC001233386577 802102288 /nfs/dbraw/zinc/10/22/88/802102288.db2.gz ZFGNOBNVFVPFOJ-OAHLLOKOSA-N -1 3 301.390 2.145 20 30 DEEDHM N#Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)CN2)c([O-])c1 ZINC001218988680 802270802 /nfs/dbraw/zinc/27/08/02/802270802.db2.gz KJRRWSUNZCVTGE-KOLCDFICSA-N -1 3 313.279 2.133 20 30 DEEDHM CC[C@@H]1OC(=O)C(Oc2[n-]c(=O)nc3cccc(C#N)c32)=C1C ZINC001234511484 802399169 /nfs/dbraw/zinc/39/91/69/802399169.db2.gz QKULSVCAHZGOMZ-NSHDSACASA-N -1 3 311.297 2.195 20 30 DEEDHM Cc1cc(=O)c(C#N)c(OC2CCN(C(=O)OC(C)C)CC2)[n-]1 ZINC001225467016 802970059 /nfs/dbraw/zinc/97/00/59/802970059.db2.gz JWXIHDYPCJKFMR-UHFFFAOYSA-N -1 3 319.361 2.356 20 30 DEEDHM CCOC(=O)[C@H]1CCC[C@H](Oc2[n-]c(C)cc(=O)c2C#N)C1 ZINC001225469065 802970296 /nfs/dbraw/zinc/97/02/96/802970296.db2.gz GLLLPRXRYSCOFG-RYUDHWBXSA-N -1 3 304.346 2.468 20 30 DEEDHM Cc1c(O[C@H]2CCN(Cc3ccccc3C#N)C2)nc[n-]c1=O ZINC001226077320 803050144 /nfs/dbraw/zinc/05/01/44/803050144.db2.gz RCHNSRNVTUAIMM-HNNXBMFYSA-N -1 3 310.357 2.016 20 30 DEEDHM C=C1O[C@H](CC)C(=O)C1Oc1c([O-])ccc2ccc(=O)oc21 ZINC001226600570 803129355 /nfs/dbraw/zinc/12/93/55/803129355.db2.gz YAYQVOJBUJALIL-LLVKDONJSA-N -1 3 302.282 2.487 20 30 DEEDHM C=CCOCC(COCC=C)Oc1[n-]c(=S)ncc1CC ZINC001227060811 803194828 /nfs/dbraw/zinc/19/48/28/803194828.db2.gz DFDCUPODGXTISV-UHFFFAOYSA-N -1 3 310.419 2.480 20 30 DEEDHM C=C[C@@]1(C)CC[C@H](C(C)(C)Oc2nc3[nH]c(=O)[nH]c([O-])c-3n2)O1 ZINC001227430722 803241029 /nfs/dbraw/zinc/24/10/29/803241029.db2.gz ODULTVDJZFIUQX-GLEZIHRCSA-N -1 3 320.349 2.045 20 30 DEEDHM COC(=O)c1ccc([O-])c(O[C@H](C#N)c2ccccc2F)n1 ZINC001227826927 803284767 /nfs/dbraw/zinc/28/47/67/803284767.db2.gz WAWRXKSUECXCSC-CYBMUJFWSA-N -1 3 302.261 2.357 20 30 DEEDHM C#CCOCCC(=O)Nc1c(C)c(Br)ccc1[O-] ZINC001328069407 1148713215 /nfs/dbraw/zinc/71/32/15/1148713215.db2.gz ZODAYLQRVONOIN-UHFFFAOYSA-N -1 3 312.163 2.442 20 30 DEEDHM C#C[C@H](NC(=O)Nc1scc(C)c1-c1nnn[n-]1)C(C)(C)C ZINC001573279460 946642191 /nfs/dbraw/zinc/64/21/91/946642191.db2.gz HHFOIVPUMWFQJX-VIFPVBQESA-N -1 3 318.406 2.406 20 30 DEEDHM C#C[C@H](NC(=O)Nc1scc(C)c1-c1nn[n-]n1)C(C)(C)C ZINC001573279460 946642193 /nfs/dbraw/zinc/64/21/93/946642193.db2.gz HHFOIVPUMWFQJX-VIFPVBQESA-N -1 3 318.406 2.406 20 30 DEEDHM C=CC(C)(C)CCCNC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573306307 947169438 /nfs/dbraw/zinc/16/94/38/947169438.db2.gz JVRIPTHZDSQURV-UHFFFAOYSA-N -1 3 314.393 2.292 20 30 DEEDHM C=CC(C)(C)CCCNC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573306307 947169445 /nfs/dbraw/zinc/16/94/45/947169445.db2.gz JVRIPTHZDSQURV-UHFFFAOYSA-N -1 3 314.393 2.292 20 30 DEEDHM C=CCOc1cccc(NC(=O)c2cc(-c3nnn[n-]3)[nH]c2C)c1 ZINC001573348264 947582352 /nfs/dbraw/zinc/58/23/52/947582352.db2.gz OFZYIBZAZAXVJG-UHFFFAOYSA-N -1 3 324.344 2.320 20 30 DEEDHM C=CCOc1cccc(NC(=O)c2cc(-c3nn[n-]n3)[nH]c2C)c1 ZINC001573348264 947582363 /nfs/dbraw/zinc/58/23/63/947582363.db2.gz OFZYIBZAZAXVJG-UHFFFAOYSA-N -1 3 324.344 2.320 20 30 DEEDHM C=C(Cl)CNC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001570918874 948580204 /nfs/dbraw/zinc/58/02/04/948580204.db2.gz LJRUXDJBBUOPMB-UHFFFAOYSA-N -1 3 314.683 2.019 20 30 DEEDHM C=C(Cl)CNC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001570918874 948580207 /nfs/dbraw/zinc/58/02/07/948580207.db2.gz LJRUXDJBBUOPMB-UHFFFAOYSA-N -1 3 314.683 2.019 20 30 DEEDHM C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC001589280534 953502731 /nfs/dbraw/zinc/50/27/31/953502731.db2.gz GAIDAWJTFSGKQT-MFKMUULPSA-N -1 3 303.318 2.009 20 30 DEEDHM C=CCN1CCC(NC(=O)c2ccccc2CCC(=O)[O-])CC1 ZINC001334217651 961791320 /nfs/dbraw/zinc/79/13/20/961791320.db2.gz KWLYPMWJUMRBJG-UHFFFAOYSA-N -1 3 316.401 2.084 20 30 DEEDHM C=C(CCC(=O)[O-])C(=O)Nc1cnccc1NC(CC)CC ZINC001573337907 962869583 /nfs/dbraw/zinc/86/95/83/962869583.db2.gz TUZZTZRFWXMZGU-UHFFFAOYSA-N -1 3 305.378 2.464 20 30 DEEDHM C=C[C@@H](OC(=O)c1cccc(CN2CCCCC2)c1)C(=O)[O-] ZINC001588712056 983941038 /nfs/dbraw/zinc/94/10/38/983941038.db2.gz FYCMXSGETIBSAJ-OAHLLOKOSA-N -1 3 303.358 2.469 20 30 DEEDHM CC(C)(C#N)CCN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001589554698 987301949 /nfs/dbraw/zinc/30/19/49/987301949.db2.gz LHGDGLKVXGJOPO-OAHLLOKOSA-N -1 3 305.334 2.424 20 30 DEEDHM CC(C)(C)N1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC001589818101 988271292 /nfs/dbraw/zinc/27/12/92/988271292.db2.gz NKLMDUYQZPIKAZ-HNNXBMFYSA-N -1 3 301.390 2.100 20 30 DEEDHM CN(C)[C@@H](CNc1ccc(C(=O)[O-])nc1C#N)c1cccs1 ZINC001598175422 990722943 /nfs/dbraw/zinc/72/29/43/990722943.db2.gz BJBLBTHXPCQHLY-ZDUSSCGKSA-N -1 3 316.386 2.428 20 30 DEEDHM COC[C@@]1(C(=O)[O-])CCCCN1Cc1ccc(C#N)cc1F ZINC001599189590 997098106 /nfs/dbraw/zinc/09/81/06/997098106.db2.gz GAFNTLNUCKRPCG-MRXNPFEDSA-N -1 3 306.337 2.153 20 30 DEEDHM C[C@@H]1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C(=O)[O-])C1 ZINC001594423834 999584239 /nfs/dbraw/zinc/58/42/39/999584239.db2.gz IZXFFXWGMGZIMK-YGRLFVJLSA-N -1 3 303.318 2.152 20 30 DEEDHM C#CC[C@H]1CCN(c2ncc(-c3nnn[n-]3)c3ccsc32)C1 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C=CCCO[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588610591 1076457385 /nfs/dbraw/zinc/45/73/85/1076457385.db2.gz IKULNSVWIDWHFM-GFCCVEGCSA-N -1 3 316.361 2.200 20 30 DEEDHM C=CCN(C(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1)C(C)C ZINC001588625998 1076458172 /nfs/dbraw/zinc/45/81/72/1076458172.db2.gz RBQDJRVBENPVOX-UHFFFAOYSA-N -1 3 316.365 2.304 20 30 DEEDHM C=CCN(C(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1)C(C)C ZINC001588625998 1076458174 /nfs/dbraw/zinc/45/81/74/1076458174.db2.gz RBQDJRVBENPVOX-UHFFFAOYSA-N -1 3 316.365 2.304 20 30 DEEDHM C=CCN(C(=O)Nc1cc(-c2nnn[n-]2)ccc1F)C(C)C ZINC001588625037 1076458355 /nfs/dbraw/zinc/45/83/55/1076458355.db2.gz BPWVSDCYCFJRHZ-UHFFFAOYSA-N -1 3 304.329 2.434 20 30 DEEDHM C=CCN(C(=O)Nc1cc(-c2nn[n-]n2)ccc1F)C(C)C ZINC001588625037 1076458358 /nfs/dbraw/zinc/45/83/58/1076458358.db2.gz BPWVSDCYCFJRHZ-UHFFFAOYSA-N -1 3 304.329 2.434 20 30 DEEDHM C=CCN(C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21)C1CC1 ZINC001588625118 1076458397 /nfs/dbraw/zinc/45/83/97/1076458397.db2.gz 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ZINC001588776457 1076464045 /nfs/dbraw/zinc/46/40/45/1076464045.db2.gz OZGIAMGXGOEZQM-LBPRGKRZSA-N -1 3 314.393 2.138 20 30 DEEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccccc1-c1nn[n-]n1 ZINC001588776457 1076464049 /nfs/dbraw/zinc/46/40/49/1076464049.db2.gz OZGIAMGXGOEZQM-LBPRGKRZSA-N -1 3 314.393 2.138 20 30 DEEDHM CC(C)C[C@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001589550140 1076497830 /nfs/dbraw/zinc/49/78/30/1076497830.db2.gz BDCRGDOUFBQFGH-QMMMGPOBSA-N -1 3 303.395 2.242 20 30 DEEDHM CC(C)C[C@H](C)Sc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001589550140 1076497834 /nfs/dbraw/zinc/49/78/34/1076497834.db2.gz BDCRGDOUFBQFGH-QMMMGPOBSA-N -1 3 303.395 2.242 20 30 DEEDHM C[C@H](CC#N)C(=O)OCc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001589788149 1076516713 /nfs/dbraw/zinc/51/67/13/1076516713.db2.gz VBNGAEGMVHBLRE-MRVPVSSYSA-N -1 3 305.725 2.113 20 30 DEEDHM C[C@H](CC#N)C(=O)OCc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001589788149 1076516718 /nfs/dbraw/zinc/51/67/18/1076516718.db2.gz VBNGAEGMVHBLRE-MRVPVSSYSA-N -1 3 305.725 2.113 20 30 DEEDHM C[C@H](COc1ccccc1)NN=Cc1ccccc1-c1nnn[n-]1 ZINC001589884782 1076524929 /nfs/dbraw/zinc/52/49/29/1076524929.db2.gz HVQASQKLBLVODF-CYBMUJFWSA-N -1 3 322.372 2.258 20 30 DEEDHM C[C@H](COc1ccccc1)NN=Cc1ccccc1-c1nn[n-]n1 ZINC001589884782 1076524935 /nfs/dbraw/zinc/52/49/35/1076524935.db2.gz HVQASQKLBLVODF-CYBMUJFWSA-N -1 3 322.372 2.258 20 30 DEEDHM CC[C@](C)(C#N)C(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001590371652 1076616457 /nfs/dbraw/zinc/61/64/57/1076616457.db2.gz GTYJTRULUMBPRK-WMLDXEAASA-N -1 3 324.388 2.300 20 30 DEEDHM CC[C@](C)(C#N)C(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001590371652 1076616460 /nfs/dbraw/zinc/61/64/60/1076616460.db2.gz GTYJTRULUMBPRK-WMLDXEAASA-N -1 3 324.388 2.300 20 30 DEEDHM CCc1cc(-c2nnn[n-]2)ccc1OC(=O)c1ccc(C#N)o1 ZINC001590877862 1076688734 /nfs/dbraw/zinc/68/87/34/1076688734.db2.gz REMYJFPQDLYDOJ-UHFFFAOYSA-N -1 3 309.285 2.113 20 30 DEEDHM CCc1cc(-c2nn[n-]n2)ccc1OC(=O)c1ccc(C#N)o1 ZINC001590877862 1076688736 /nfs/dbraw/zinc/68/87/36/1076688736.db2.gz REMYJFPQDLYDOJ-UHFFFAOYSA-N -1 3 309.285 2.113 20 30 DEEDHM CN(Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC001591133989 1076710583 /nfs/dbraw/zinc/71/05/83/1076710583.db2.gz MZFIUNJFPLPIGX-BXUZGUMPSA-N -1 3 300.341 2.130 20 30 DEEDHM CN(Cc1ccc(-c2nn[n-]n2)c(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC001591133989 1076710584 /nfs/dbraw/zinc/71/05/84/1076710584.db2.gz MZFIUNJFPLPIGX-BXUZGUMPSA-N -1 3 300.341 2.130 20 30 DEEDHM COCC[C@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001591402105 1076741021 /nfs/dbraw/zinc/74/10/21/1076741021.db2.gz AOMYPAPYTHRJTA-LLVKDONJSA-N -1 3 300.366 2.471 20 30 DEEDHM COCC[C@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001591402105 1076741022 /nfs/dbraw/zinc/74/10/22/1076741022.db2.gz AOMYPAPYTHRJTA-LLVKDONJSA-N -1 3 300.366 2.471 20 30 DEEDHM COc1c(O)cccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001591479542 1076746600 /nfs/dbraw/zinc/74/66/00/1076746600.db2.gz SJGPRIYISCRVKC-UHFFFAOYSA-N -1 3 310.317 2.027 20 30 DEEDHM COc1cc(-c2nnn[n-]2)ccc1COC(=O)CCCCC#N ZINC001591487148 1076748780 /nfs/dbraw/zinc/74/87/80/1076748780.db2.gz ULQXGNIGQKPJBD-UHFFFAOYSA-N -1 3 315.333 2.002 20 30 DEEDHM COc1cc(-c2nn[n-]n2)ccc1COC(=O)CCCCC#N ZINC001591487148 1076748784 /nfs/dbraw/zinc/74/87/84/1076748784.db2.gz ULQXGNIGQKPJBD-UHFFFAOYSA-N -1 3 315.333 2.002 20 30 DEEDHM COc1ccc(CNc2cc(-c3nnn[n-]3)cc(C)n2)cc1C#N ZINC001591601193 1076763219 /nfs/dbraw/zinc/76/32/19/1076763219.db2.gz XOXGCWHCKALGFI-UHFFFAOYSA-N -1 3 321.344 2.063 20 30 DEEDHM COc1ccc(CNc2cc(-c3nn[n-]n3)cc(C)n2)cc1C#N ZINC001591601193 1076763222 /nfs/dbraw/zinc/76/32/22/1076763222.db2.gz XOXGCWHCKALGFI-UHFFFAOYSA-N -1 3 321.344 2.063 20 30 DEEDHM COc1ccc(CNc2ccc(-c3nnn[n-]3)c(C)n2)cc1C#N ZINC001591601305 1076763434 /nfs/dbraw/zinc/76/34/34/1076763434.db2.gz JEPSNMQGXACBHY-UHFFFAOYSA-N -1 3 321.344 2.063 20 30 DEEDHM COc1ccc(CNc2ccc(-c3nn[n-]n3)c(C)n2)cc1C#N ZINC001591601305 1076763437 /nfs/dbraw/zinc/76/34/37/1076763437.db2.gz JEPSNMQGXACBHY-UHFFFAOYSA-N -1 3 321.344 2.063 20 30 DEEDHM C[C@@H](OC(=O)c1coc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001591732763 1076779606 /nfs/dbraw/zinc/77/96/06/1076779606.db2.gz MYZKFBGBWIBYSF-SECBINFHSA-N -1 3 309.285 2.249 20 30 DEEDHM C[C@@H](OC(=O)c1coc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001591732763 1076779609 /nfs/dbraw/zinc/77/96/09/1076779609.db2.gz MYZKFBGBWIBYSF-SECBINFHSA-N -1 3 309.285 2.249 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1sccc1C#N ZINC001592099729 1076847801 /nfs/dbraw/zinc/84/78/01/1076847801.db2.gz LUWWDTKFSURURG-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1sccc1C#N ZINC001592099729 1076847807 /nfs/dbraw/zinc/84/78/07/1076847807.db2.gz LUWWDTKFSURURG-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(C#N)ccc1F ZINC001592107382 1076849648 /nfs/dbraw/zinc/84/96/48/1076849648.db2.gz SBIOHMUKEQJCEI-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(C#N)ccc1F ZINC001592107382 1076849652 /nfs/dbraw/zinc/84/96/52/1076849652.db2.gz SBIOHMUKEQJCEI-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1ccc(NN=C2CCc3ccc(-c4nn[n-]n4)cc32)nc1 ZINC001592185448 1076872426 /nfs/dbraw/zinc/87/24/26/1076872426.db2.gz WPFREDVRNAPLHC-UHFFFAOYSA-N -1 3 305.345 2.333 20 30 DEEDHM Cc1nc(C)c(C#N)c(SCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001592353250 1076902277 /nfs/dbraw/zinc/90/22/77/1076902277.db2.gz KWWQXEHLXSHMAQ-UHFFFAOYSA-N -1 3 323.385 2.438 20 30 DEEDHM Cc1nc(C)c(C#N)c(SCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592353250 1076902280 /nfs/dbraw/zinc/90/22/80/1076902280.db2.gz KWWQXEHLXSHMAQ-UHFFFAOYSA-N -1 3 323.385 2.438 20 30 DEEDHM Cc1nsc(N(C)Cc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC001592469571 1076916618 /nfs/dbraw/zinc/91/66/18/1076916618.db2.gz XDZGGLGPUOLEPJ-UHFFFAOYSA-N -1 3 311.374 2.140 20 30 DEEDHM Cc1nsc(N(C)Cc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC001592469571 1076916620 /nfs/dbraw/zinc/91/66/20/1076916620.db2.gz XDZGGLGPUOLEPJ-UHFFFAOYSA-N -1 3 311.374 2.140 20 30 DEEDHM FC1(F)CCC[C@H]1CNN=Cc1cccc(-c2nnn[n-]2)c1 ZINC001592628015 1076934733 /nfs/dbraw/zinc/93/47/33/1076934733.db2.gz LLOZCOYESZMTTN-LBPRGKRZSA-N -1 3 306.320 2.226 20 30 DEEDHM FC1(F)CCC[C@H]1CNN=Cc1cccc(-c2nn[n-]n2)c1 ZINC001592628015 1076934734 /nfs/dbraw/zinc/93/47/34/1076934734.db2.gz LLOZCOYESZMTTN-LBPRGKRZSA-N -1 3 306.320 2.226 20 30 DEEDHM N#C[C@@H]1CC[C@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC001592672924 1076950182 /nfs/dbraw/zinc/95/01/82/1076950182.db2.gz QHWVHXRNGZEYQM-RXVTVFCNSA-N -1 3 309.329 2.115 20 30 DEEDHM N#C[C@@H]1CC[C@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC001592672924 1076950187 /nfs/dbraw/zinc/95/01/87/1076950187.db2.gz QHWVHXRNGZEYQM-RXVTVFCNSA-N -1 3 309.329 2.115 20 30 DEEDHM N#Cc1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1Cl ZINC001592693916 1076953276 /nfs/dbraw/zinc/95/32/76/1076953276.db2.gz FXRNCRHEIWMZTM-UHFFFAOYSA-N -1 3 311.736 2.399 20 30 DEEDHM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1Cl ZINC001592693916 1076953278 /nfs/dbraw/zinc/95/32/78/1076953278.db2.gz FXRNCRHEIWMZTM-UHFFFAOYSA-N -1 3 311.736 2.399 20 30 DEEDHM N#Cc1cc(NC(=O)C2(C3CC3)CCC2)ccc1-c1nnn[n-]1 ZINC001592689688 1076953453 /nfs/dbraw/zinc/95/34/53/1076953453.db2.gz STJMJUSCQBAXAJ-UHFFFAOYSA-N -1 3 308.345 2.257 20 30 DEEDHM N#Cc1cc(NC(=O)C2(C3CC3)CCC2)ccc1-c1nn[n-]n1 ZINC001592689688 1076953456 /nfs/dbraw/zinc/95/34/56/1076953456.db2.gz STJMJUSCQBAXAJ-UHFFFAOYSA-N -1 3 308.345 2.257 20 30 DEEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nnn[n-]2)ccn1 ZINC001592697107 1076954436 /nfs/dbraw/zinc/95/44/36/1076954436.db2.gz DPZZRNPERWKBQW-CQSZACIVSA-N -1 3 303.329 2.233 20 30 DEEDHM N#Cc1ccc2c(c1)CC[C@H]2Nc1cc(-c2nn[n-]n2)ccn1 ZINC001592697107 1076954438 /nfs/dbraw/zinc/95/44/38/1076954438.db2.gz DPZZRNPERWKBQW-CQSZACIVSA-N -1 3 303.329 2.233 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC(Cc2ccsc2)C1 ZINC001592698304 1076954806 /nfs/dbraw/zinc/95/48/06/1076954806.db2.gz VGAKJDWHNCTODW-UHFFFAOYSA-N -1 3 322.397 2.479 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC(Cc2ccsc2)C1 ZINC001592698304 1076954809 /nfs/dbraw/zinc/95/48/09/1076954809.db2.gz VGAKJDWHNCTODW-UHFFFAOYSA-N -1 3 322.397 2.479 20 30 DEEDHM N#Cc1ncn(C[C@@H]2CCCc3ccccc32)c1-c1nnn[n-]1 ZINC001592709922 1076956473 /nfs/dbraw/zinc/95/64/73/1076956473.db2.gz MOIQSLVCIKCJIL-LBPRGKRZSA-N -1 3 305.345 2.055 20 30 DEEDHM N#Cc1sc(NCc2cccc(-c3nnn[n-]3)c2)nc1Cl ZINC001592711862 1076957362 /nfs/dbraw/zinc/95/73/62/1076957362.db2.gz QECFJRRZIOIKTO-UHFFFAOYSA-N -1 3 317.765 2.460 20 30 DEEDHM N#Cc1sc(NCc2cccc(-c3nn[n-]n3)c2)nc1Cl ZINC001592711862 1076957364 /nfs/dbraw/zinc/95/73/64/1076957364.db2.gz QECFJRRZIOIKTO-UHFFFAOYSA-N -1 3 317.765 2.460 20 30 DEEDHM O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001593376416 1077003423 /nfs/dbraw/zinc/00/34/23/1077003423.db2.gz LHDRUSGTZKGSMT-UHFFFAOYSA-N -1 3 302.293 2.329 20 30 DEEDHM O=C1c2ccccc2C(=O)C1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001593376416 1077003427 /nfs/dbraw/zinc/00/34/27/1077003427.db2.gz LHDRUSGTZKGSMT-UHFFFAOYSA-N -1 3 302.293 2.329 20 30 DEEDHM O=[N+]([O-])c1cccc(NN=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001593483783 1077010573 /nfs/dbraw/zinc/01/05/73/1077010573.db2.gz IRGXARQBFKNJCY-UHFFFAOYSA-N -1 3 309.289 2.221 20 30 DEEDHM O=[N+]([O-])c1cccc(NN=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001593483783 1077010576 /nfs/dbraw/zinc/01/05/76/1077010576.db2.gz IRGXARQBFKNJCY-UHFFFAOYSA-N -1 3 309.289 2.221 20 30 DEEDHM N#Cc1c(CN2CC[C@H]([C@@H]3CCCO3)C2)cccc1C(=O)[O-] ZINC001608191953 1077606367 /nfs/dbraw/zinc/60/63/67/1077606367.db2.gz RGXJEUIJXWYHOW-BBRMVZONSA-N -1 3 300.358 2.257 20 30 DEEDHM N#Cc1ccc(N2CCN([C@H](C(=O)[O-])C3CC3)CC2)c(Cl)c1 ZINC001608205386 1077609052 /nfs/dbraw/zinc/60/90/52/1077609052.db2.gz BPBXTURHXYQMKS-HNNXBMFYSA-N -1 3 319.792 2.197 20 30 DEEDHM C=C(C)C(C)(C)C(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC001609051367 1077748608 /nfs/dbraw/zinc/74/86/08/1077748608.db2.gz XEESCEWRTTWFHG-UHFFFAOYSA-N -1 3 316.361 2.391 20 30 DEEDHM C=C(C)C(C)(C)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC001609051367 1077748612 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C[C@@H](OC(=O)c1cnccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001580311805 1075899464 /nfs/dbraw/zinc/89/94/64/1075899464.db2.gz LTFXODKXUIHDTK-SNVBAGLBSA-N -1 3 320.312 2.051 20 30 DEEDHM C[C@@H](OC(=O)c1cnccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001580311805 1075899468 /nfs/dbraw/zinc/89/94/68/1075899468.db2.gz LTFXODKXUIHDTK-SNVBAGLBSA-N -1 3 320.312 2.051 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C)c(C#N)cn1 ZINC001580984178 1076029403 /nfs/dbraw/zinc/02/94/03/1076029403.db2.gz UVTPJSZZEAQMSS-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C)c(C#N)cn1 ZINC001580984178 1076029410 /nfs/dbraw/zinc/02/94/10/1076029410.db2.gz UVTPJSZZEAQMSS-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nc1C ZINC001581174384 1076048216 /nfs/dbraw/zinc/04/82/16/1076048216.db2.gz LLILIKLMVROCFN-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nc1C ZINC001581174384 1076048217 /nfs/dbraw/zinc/04/82/17/1076048217.db2.gz LLILIKLMVROCFN-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM C#C[C@@H](CCC)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588327406 1076439898 /nfs/dbraw/zinc/43/98/98/1076439898.db2.gz INLKEABLDLPJGC-RISCZKNCSA-N -1 3 312.377 2.029 20 30 DEEDHM C#C[C@@H](CCC)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588327406 1076439902 /nfs/dbraw/zinc/43/99/02/1076439902.db2.gz INLKEABLDLPJGC-RISCZKNCSA-N -1 3 312.377 2.029 20 30 DEEDHM C#C[C@H](C)Nc1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588326094 1076440092 /nfs/dbraw/zinc/44/00/92/1076440092.db2.gz DMZCGHYMVCYBQT-LURJTMIESA-N -1 3 310.130 2.202 20 30 DEEDHM C#C[C@H](C)Nc1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588326094 1076440088 /nfs/dbraw/zinc/44/00/88/1076440088.db2.gz DMZCGHYMVCYBQT-LURJTMIESA-N -1 3 310.130 2.202 20 30 DEEDHM C#C[C@H](C)n1c(C)csc1=Nc1ccccc1-c1nnn[n-]1 ZINC001588326758 1076440125 /nfs/dbraw/zinc/44/01/25/1076440125.db2.gz UILWDPKTQIJJTR-JTQLQIEISA-N -1 3 310.386 2.465 20 30 DEEDHM C#C[C@H](C)n1c(C)csc1=Nc1ccccc1-c1nn[n-]n1 ZINC001588326758 1076440127 /nfs/dbraw/zinc/44/01/27/1076440127.db2.gz UILWDPKTQIJJTR-JTQLQIEISA-N -1 3 310.386 2.465 20 30 DEEDHM C#C[C@@H](CC)Nc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588327777 1076440294 /nfs/dbraw/zinc/44/02/94/1076440294.db2.gz QSDLZCYQYORITD-QMMMGPOBSA-N -1 3 306.167 2.453 20 30 DEEDHM C#C[C@@H](CC)Nc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588327777 1076440296 /nfs/dbraw/zinc/44/02/96/1076440296.db2.gz QSDLZCYQYORITD-QMMMGPOBSA-N -1 3 306.167 2.453 20 30 DEEDHM C#CC1CCN(c2nc(C(F)(F)F)ccc2-c2nnn[n-]2)CC1 ZINC001588330379 1076440615 /nfs/dbraw/zinc/44/06/15/1076440615.db2.gz ALPBMDHXHXFPIQ-UHFFFAOYSA-N -1 3 322.294 2.130 20 30 DEEDHM C#CC1CCN(c2nc(C(F)(F)F)ccc2-c2nn[n-]n2)CC1 ZINC001588330379 1076440617 /nfs/dbraw/zinc/44/06/17/1076440617.db2.gz ALPBMDHXHXFPIQ-UHFFFAOYSA-N -1 3 322.294 2.130 20 30 DEEDHM C#CC[C@@H](CCOC)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588331345 1076440749 /nfs/dbraw/zinc/44/07/49/1076440749.db2.gz 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1076442597 /nfs/dbraw/zinc/44/25/97/1076442597.db2.gz OPHAMFNOWGWFBS-UHFFFAOYSA-N -1 3 305.288 2.277 20 30 DEEDHM C#CCCCCC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001588344409 1076442599 /nfs/dbraw/zinc/44/25/99/1076442599.db2.gz OPHAMFNOWGWFBS-UHFFFAOYSA-N -1 3 305.288 2.277 20 30 DEEDHM C#Cc1ccccc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588377551 1076444314 /nfs/dbraw/zinc/44/43/14/1076444314.db2.gz ZRXNFFHARDPEQU-UHFFFAOYSA-N -1 3 321.315 2.168 20 30 DEEDHM C#Cc1ccccc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588377551 1076444319 /nfs/dbraw/zinc/44/43/19/1076444319.db2.gz ZRXNFFHARDPEQU-UHFFFAOYSA-N -1 3 321.315 2.168 20 30 DEEDHM C=C(C)COC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001588428938 1076447280 /nfs/dbraw/zinc/44/72/80/1076447280.db2.gz JFKXCPNLLWWZTP-UHFFFAOYSA-N -1 3 311.301 2.255 20 30 DEEDHM C=C(C)COC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001588428938 1076447283 /nfs/dbraw/zinc/44/72/83/1076447283.db2.gz JFKXCPNLLWWZTP-UHFFFAOYSA-N -1 3 311.301 2.255 20 30 DEEDHM C=CC(C)(C)CCNC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588488642 1076450299 /nfs/dbraw/zinc/45/02/99/1076450299.db2.gz KLHANIPMPZNKKM-UHFFFAOYSA-N -1 3 303.341 2.338 20 30 DEEDHM C=CC(C)(C)CCNC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588488642 1076450302 /nfs/dbraw/zinc/45/03/02/1076450302.db2.gz KLHANIPMPZNKKM-UHFFFAOYSA-N -1 3 303.341 2.338 20 30 DEEDHM C=CC[C@H](CC)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001588541530 1076452310 /nfs/dbraw/zinc/45/23/10/1076452310.db2.gz NMVGFPGWVFGALM-LBPRGKRZSA-N -1 3 318.356 2.160 20 30 DEEDHM C=CC[C@H](CC)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001588541530 1076452316 /nfs/dbraw/zinc/45/23/16/1076452316.db2.gz NMVGFPGWVFGALM-LBPRGKRZSA-N -1 3 318.356 2.160 20 30 DEEDHM C=CCC(C)(C)C(=O)OCCOc1ccccc1-c1nnn[n-]1 ZINC001588539375 1076453103 /nfs/dbraw/zinc/45/31/03/1076453103.db2.gz IVHSOEPJLFETGS-UHFFFAOYSA-N -1 3 316.361 2.391 20 30 DEEDHM C=CCC(C)(C)C(=O)OCCOc1ccccc1-c1nn[n-]n1 ZINC001588539375 1076453105 /nfs/dbraw/zinc/45/31/05/1076453105.db2.gz IVHSOEPJLFETGS-UHFFFAOYSA-N -1 3 316.361 2.391 20 30 DEEDHM C=CCC[C@@H]1CCCN1C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588579449 1076455464 /nfs/dbraw/zinc/45/54/64/1076455464.db2.gz MOQMGPUSPQQQGE-OAHLLOKOSA-N -1 3 311.389 2.366 20 30 DEEDHM C=CCC[C@@H]1CCCN1C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588579449 1076455470 /nfs/dbraw/zinc/45/54/70/1076455470.db2.gz MOQMGPUSPQQQGE-OAHLLOKOSA-N -1 3 311.389 2.366 20 30 DEEDHM C=CCCC[C@@H](C)NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588593963 1076456520 /nfs/dbraw/zinc/45/65/20/1076456520.db2.gz JGLZRZPEWVQXLU-LLVKDONJSA-N -1 3 300.366 2.045 20 30 DEEDHM C=CCCC[C@@H](C)NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588593963 1076456523 /nfs/dbraw/zinc/45/65/23/1076456523.db2.gz JGLZRZPEWVQXLU-LLVKDONJSA-N -1 3 300.366 2.045 20 30 DEEDHM C=CCCO[C@H](C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC001588610512 1076457033 /nfs/dbraw/zinc/45/70/33/1076457033.db2.gz FZKVGHXCDHIASJ-SNVBAGLBSA-N -1 3 320.324 2.030 20 30 DEEDHM C=CCCO[C@H](C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC001588610512 1076457034 /nfs/dbraw/zinc/45/70/34/1076457034.db2.gz FZKVGHXCDHIASJ-SNVBAGLBSA-N -1 3 320.324 2.030 20 30 DEEDHM C=CCCN(C)C(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001588603612 1076457321 /nfs/dbraw/zinc/45/73/21/1076457321.db2.gz RJBIUQPUQRAFCX-UHFFFAOYSA-N -1 3 324.344 2.170 20 30 DEEDHM C=CCCN(C)C(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001588603612 1076457322 /nfs/dbraw/zinc/45/73/22/1076457322.db2.gz RJBIUQPUQRAFCX-UHFFFAOYSA-N -1 3 324.344 2.170 20 30 DEEDHM C=CCN(C)C(=O)CCCCOc1cccc(-c2nnn[n-]2)c1 ZINC001588626637 1076458376 /nfs/dbraw/zinc/45/83/76/1076458376.db2.gz NTNJPNFZMRRPBU-UHFFFAOYSA-N -1 3 315.377 2.060 20 30 DEEDHM C=CCN(C)C(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC001588626637 1076458379 /nfs/dbraw/zinc/45/83/79/1076458379.db2.gz NTNJPNFZMRRPBU-UHFFFAOYSA-N -1 3 315.377 2.060 20 30 DEEDHM C=CCCSCCNC(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588617892 1076458845 /nfs/dbraw/zinc/45/88/45/1076458845.db2.gz GOZWEQQOYKYMRQ-UHFFFAOYSA-N -1 3 317.418 2.214 20 30 DEEDHM C=CCCSCCNC(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588617892 1076458851 /nfs/dbraw/zinc/45/88/51/1076458851.db2.gz GOZWEQQOYKYMRQ-UHFFFAOYSA-N -1 3 317.418 2.214 20 30 DEEDHM CC#CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC001588746059 1076461933 /nfs/dbraw/zinc/46/19/33/1076461933.db2.gz LVOFHIGVFUWNPL-UHFFFAOYSA-N -1 3 302.309 2.243 20 30 DEEDHM CC#CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC001588746059 1076461938 /nfs/dbraw/zinc/46/19/38/1076461938.db2.gz LVOFHIGVFUWNPL-UHFFFAOYSA-N -1 3 302.309 2.243 20 30 DEEDHM CC(C)[C@@](C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001589419483 1076488826 /nfs/dbraw/zinc/48/88/26/1076488826.db2.gz PLXIFKXUWVGWII-CQSZACIVSA-N -1 3 318.768 2.188 20 30 DEEDHM CC(C)[C@@](C)(C#N)NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001589419483 1076488828 /nfs/dbraw/zinc/48/88/28/1076488828.db2.gz PLXIFKXUWVGWII-CQSZACIVSA-N -1 3 318.768 2.188 20 30 DEEDHM CC(C)CN(CCO[C@@H](C)C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589619286 1076503576 /nfs/dbraw/zinc/50/35/76/1076503576.db2.gz QXWPPXOYAQQRRX-ZDUSSCGKSA-N -1 3 314.393 2.258 20 30 DEEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2cscc2-c2nnn[n-]2)C1 ZINC001590241988 1076596310 /nfs/dbraw/zinc/59/63/10/1076596310.db2.gz ZYVUYWXHUBEGAV-XPTSAGLGSA-N -1 3 316.390 2.130 20 30 DEEDHM C[C@H]1CCC[C@](C#N)(NC(=O)c2cscc2-c2nn[n-]n2)C1 ZINC001590241988 1076596313 /nfs/dbraw/zinc/59/63/13/1076596313.db2.gz ZYVUYWXHUBEGAV-XPTSAGLGSA-N -1 3 316.390 2.130 20 30 DEEDHM CCC1(CC)C(N=Nc2ccc(-c3nnn[n-]3)cn2)C[C@H]1OC ZINC001590492124 1076639095 /nfs/dbraw/zinc/63/90/95/1076639095.db2.gz POZPBIHVAIWKDH-GFCCVEGCSA-N -1 3 315.381 2.255 20 30 DEEDHM CCC1(CC)C(N=Nc2ccc(-c3nn[n-]n3)cn2)C[C@H]1OC ZINC001590492124 1076639096 /nfs/dbraw/zinc/63/90/96/1076639096.db2.gz POZPBIHVAIWKDH-GFCCVEGCSA-N -1 3 315.381 2.255 20 30 DEEDHM CO[C@@H]1CCCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC001591353873 1076731769 /nfs/dbraw/zinc/73/17/69/1076731769.db2.gz LZRACCNLPBOISG-SNVBAGLBSA-N -1 3 321.772 2.272 20 30 DEEDHM CO[C@@H]1CCCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC001591353873 1076731770 /nfs/dbraw/zinc/73/17/70/1076731770.db2.gz LZRACCNLPBOISG-SNVBAGLBSA-N -1 3 321.772 2.272 20 30 DEEDHM COc1cc(C#N)ccc1Oc1ncc(-c2nnn[n-]2)cc1F ZINC001591508922 1076750865 /nfs/dbraw/zinc/75/08/65/1076750865.db2.gz LFBNCAAVHPIWEJ-UHFFFAOYSA-N -1 3 312.264 2.073 20 30 DEEDHM COc1cc(C#N)ccc1Oc1ncc(-c2nn[n-]n2)cc1F ZINC001591508922 1076750872 /nfs/dbraw/zinc/75/08/72/1076750872.db2.gz LFBNCAAVHPIWEJ-UHFFFAOYSA-N -1 3 312.264 2.073 20 30 DEEDHM Cc1c(C(=O)Oc2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC001591814849 1076788425 /nfs/dbraw/zinc/78/84/25/1076788425.db2.gz KYCPLIUIYBJURX-UHFFFAOYSA-N -1 3 305.297 2.266 20 30 DEEDHM Cc1c(C(=O)Oc2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC001591814849 1076788429 /nfs/dbraw/zinc/78/84/29/1076788429.db2.gz KYCPLIUIYBJURX-UHFFFAOYSA-N -1 3 305.297 2.266 20 30 DEEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)CC(C)(C)C#N ZINC001591982664 1076825538 /nfs/dbraw/zinc/82/55/38/1076825538.db2.gz UDVRYDZGMKORQE-UHFFFAOYSA-N -1 3 302.313 2.193 20 30 DEEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)CC(C)(C)C#N ZINC001591982664 1076825541 /nfs/dbraw/zinc/82/55/41/1076825541.db2.gz UDVRYDZGMKORQE-UHFFFAOYSA-N -1 3 302.313 2.193 20 30 DEEDHM Cc1ccc(C(=O)OCC#Cc2ccccc2)cc1-c1nnn[n-]1 ZINC001592131937 1076854954 /nfs/dbraw/zinc/85/49/54/1076854954.db2.gz WPEXBBLANMLFLI-UHFFFAOYSA-N -1 3 318.336 2.384 20 30 DEEDHM Cc1ccc(C(=O)OCC#Cc2ccccc2)cc1-c1nn[n-]n1 ZINC001592131937 1076854958 /nfs/dbraw/zinc/85/49/58/1076854958.db2.gz WPEXBBLANMLFLI-UHFFFAOYSA-N -1 3 318.336 2.384 20 30 DEEDHM Cc1ccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC001592133286 1076856133 /nfs/dbraw/zinc/85/61/33/1076856133.db2.gz IENXDQROKFKGQB-UHFFFAOYSA-N -1 3 319.324 2.404 20 30 DEEDHM Cc1ccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC001592133286 1076856139 /nfs/dbraw/zinc/85/61/39/1076856139.db2.gz IENXDQROKFKGQB-UHFFFAOYSA-N -1 3 319.324 2.404 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1c(F)cccc1Cl ZINC001592340536 1076901151 /nfs/dbraw/zinc/90/11/51/1076901151.db2.gz HNSPXBREYCJPEJ-UHFFFAOYSA-N -1 3 317.715 2.084 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1c(F)cccc1Cl ZINC001592340536 1076901154 /nfs/dbraw/zinc/90/11/54/1076901154.db2.gz HNSPXBREYCJPEJ-UHFFFAOYSA-N -1 3 317.715 2.084 20 30 DEEDHM N#CC1(CNc2cc(Br)ccc2-c2nnn[n-]2)CC1 ZINC001592669433 1076949144 /nfs/dbraw/zinc/94/91/44/1076949144.db2.gz IOQOHPFSAOCAMA-UHFFFAOYSA-N -1 3 319.166 2.345 20 30 DEEDHM N#CC1(CNc2cc(Br)ccc2-c2nn[n-]n2)CC1 ZINC001592669433 1076949146 /nfs/dbraw/zinc/94/91/46/1076949146.db2.gz IOQOHPFSAOCAMA-UHFFFAOYSA-N -1 3 319.166 2.345 20 30 DEEDHM N#CC1(CNC(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)CC1 ZINC001592669310 1076949524 /nfs/dbraw/zinc/94/95/24/1076949524.db2.gz VSGQOFMXFBWEEY-UHFFFAOYSA-N -1 3 323.360 2.169 20 30 DEEDHM N#CC1(CNC(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)CC1 ZINC001592669310 1076949530 /nfs/dbraw/zinc/94/95/30/1076949530.db2.gz VSGQOFMXFBWEEY-UHFFFAOYSA-N -1 3 323.360 2.169 20 30 DEEDHM N#CCCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001592674731 1076950620 /nfs/dbraw/zinc/95/06/20/1076950620.db2.gz JYDBLOGMMUYURQ-UHFFFAOYSA-N -1 3 324.388 2.442 20 30 DEEDHM N#CCCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001592674731 1076950626 /nfs/dbraw/zinc/95/06/26/1076950626.db2.gz JYDBLOGMMUYURQ-UHFFFAOYSA-N -1 3 324.388 2.442 20 30 DEEDHM N#C[C@@H]1CC[C@H](OC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001592672959 1076950727 /nfs/dbraw/zinc/95/07/27/1076950727.db2.gz RRKXWUHSTCLYIF-RISCZKNCSA-N -1 3 323.356 2.134 20 30 DEEDHM N#C[C@@H]1CC[C@H](OC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001592672959 1076950734 /nfs/dbraw/zinc/95/07/34/1076950734.db2.gz RRKXWUHSTCLYIF-RISCZKNCSA-N -1 3 323.356 2.134 20 30 DEEDHM N#CCCSc1ncc(-c2nn[n-]n2)cc1Br ZINC001592678284 1076951581 /nfs/dbraw/zinc/95/15/81/1076951581.db2.gz QZGYPVPOQKECBA-UHFFFAOYSA-N -1 3 311.168 2.030 20 30 DEEDHM N#CCCSc1ncc(-c2nnn[n-]2)cc1Br ZINC001592678284 1076951579 /nfs/dbraw/zinc/95/15/79/1076951579.db2.gz QZGYPVPOQKECBA-UHFFFAOYSA-N -1 3 311.168 2.030 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@H](c2ccccn2)C1 ZINC001592699228 1076954059 /nfs/dbraw/zinc/95/40/59/1076954059.db2.gz SMDZCFVTQIDBTC-ZDUSSCGKSA-N -1 3 317.356 2.127 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@H](c2ccccn2)C1 ZINC001592699228 1076954063 /nfs/dbraw/zinc/95/40/63/1076954063.db2.gz SMDZCFVTQIDBTC-ZDUSSCGKSA-N -1 3 317.356 2.127 20 30 DEEDHM N#Cc1ccc2c(c1)CCC[C@@H]2Nc1ncncc1-c1nnn[n-]1 ZINC001592697715 1076954503 /nfs/dbraw/zinc/95/45/03/1076954503.db2.gz OWLZNUINBPUGSI-AWEZNQCLSA-N -1 3 318.344 2.018 20 30 DEEDHM N#Cc1cccc([N+](=O)[O-])c1COc1ccccc1-c1nnn[n-]1 ZINC001592703338 1076955821 /nfs/dbraw/zinc/95/58/21/1076955821.db2.gz PQHFKNKCXMRSPP-UHFFFAOYSA-N -1 3 322.284 2.226 20 30 DEEDHM N#Cc1cccc([N+](=O)[O-])c1COc1ccccc1-c1nn[n-]n1 ZINC001592703338 1076955825 /nfs/dbraw/zinc/95/58/25/1076955825.db2.gz PQHFKNKCXMRSPP-UHFFFAOYSA-N -1 3 322.284 2.226 20 30 DEEDHM CON=Cc1ccc(C(=O)NCc2c([O-])cccc2F)cc1 ZINC001596906351 1077085075 /nfs/dbraw/zinc/08/50/75/1077085075.db2.gz DYNMOLZIQLNNFR-UHFFFAOYSA-N -1 3 302.305 2.442 20 30 DEEDHM N#Cc1cccc([C@H](O)CN2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC001601118438 1077342636 /nfs/dbraw/zinc/34/26/36/1077342636.db2.gz LGYRSLYNVIXQRW-GOSISDBHSA-N -1 3 322.364 2.348 20 30 DEEDHM N#Cc1c(CN2CC[C@H]([C@H]3CCCO3)C2)cccc1C(=O)[O-] ZINC001608191956 1077606274 /nfs/dbraw/zinc/60/62/74/1077606274.db2.gz RGXJEUIJXWYHOW-XJKSGUPXSA-N -1 3 300.358 2.257 20 30 DEEDHM N#Cc1cc(CN2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)cs1 ZINC001608196549 1077606898 /nfs/dbraw/zinc/60/68/98/1077606898.db2.gz FKUNRUJWFQXIEX-MRXNPFEDSA-N -1 3 320.414 2.202 20 30 DEEDHM C#CC1CCN(C(=O)c2cc(-c3nnn[n-]3)ccc2Cl)CC1 ZINC001609019920 1077742594 /nfs/dbraw/zinc/74/25/94/1077742594.db2.gz LKZFLGYUMIBQKI-UHFFFAOYSA-N -1 3 315.764 2.006 20 30 DEEDHM C#CC1CCN(C(=O)c2cc(-c3nn[n-]n3)ccc2Cl)CC1 ZINC001609019920 1077742597 /nfs/dbraw/zinc/74/25/97/1077742597.db2.gz LKZFLGYUMIBQKI-UHFFFAOYSA-N -1 3 315.764 2.006 20 30 DEEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ncc(-c2nnn[n-]2)cc1Cl ZINC001609051277 1077748489 /nfs/dbraw/zinc/74/84/89/1077748489.db2.gz UQRBFUZAGWGNDJ-CABZTGNLSA-N -1 3 320.784 2.308 20 30 DEEDHM C=C(C)[C@@H]1OCC[C@H]1CNc1ncc(-c2nn[n-]n2)cc1Cl ZINC001609051277 1077748493 /nfs/dbraw/zinc/74/84/93/1077748493.db2.gz UQRBFUZAGWGNDJ-CABZTGNLSA-N -1 3 320.784 2.308 20 30 DEEDHM C=CC[C@@H](CO)Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001609053073 1077749694 /nfs/dbraw/zinc/74/96/94/1077749694.db2.gz BAPORQHNFNORKC-VIFPVBQESA-N -1 3 313.283 2.234 20 30 DEEDHM C=CC[C@@H](CO)Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001609053073 1077749699 /nfs/dbraw/zinc/74/96/99/1077749699.db2.gz BAPORQHNFNORKC-VIFPVBQESA-N -1 3 313.283 2.234 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)OCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609052309 1077749996 /nfs/dbraw/zinc/74/99/96/1077749996.db2.gz XCCBFNSRSBRWNH-INIZCTEOSA-N -1 3 314.345 2.195 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)OCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609052309 1077750000 /nfs/dbraw/zinc/75/00/00/1077750000.db2.gz XCCBFNSRSBRWNH-INIZCTEOSA-N -1 3 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C=C(CC)C[N-]S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 ZINC000650310757 424982103 /nfs/dbraw/zinc/98/21/03/424982103.db2.gz XAUWAAHFBQEKDB-SNVBAGLBSA-N -1 3 316.448 2.190 20 30 DEEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000650310756 424982439 /nfs/dbraw/zinc/98/24/39/424982439.db2.gz XAUWAAHFBQEKDB-JTQLQIEISA-N -1 3 316.448 2.190 20 30 DEEDHM C=CCCS(=O)(=O)[N-]C[C@@H](OC1CCCC1)C(F)(F)F ZINC000657082429 425255654 /nfs/dbraw/zinc/25/56/54/425255654.db2.gz OPGVVALGLSAYKX-LLVKDONJSA-N -1 3 315.357 2.372 20 30 DEEDHM C=CCC1([N-]S(=O)(=O)c2ccc(F)cc2F)CCOCC1 ZINC000657128382 425264369 /nfs/dbraw/zinc/26/43/69/425264369.db2.gz VADBTMPCJXJBAI-UHFFFAOYSA-N -1 3 317.357 2.368 20 30 DEEDHM C[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)O1 ZINC000398128406 269108528 /nfs/dbraw/zinc/10/85/28/269108528.db2.gz ZRVOBQHCZQMGHG-MWLCHTKSSA-N -1 3 314.794 2.057 20 30 DEEDHM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CS1 ZINC000416584051 297285273 /nfs/dbraw/zinc/28/52/73/297285273.db2.gz HLOXTBHPUJTMHG-LDYMZIIASA-N -1 3 316.835 2.384 20 30 DEEDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C#N)c1C ZINC000331100573 301860617 /nfs/dbraw/zinc/86/06/17/301860617.db2.gz CXGOXVDMNSPOMR-NWDGAFQWSA-N -1 3 323.374 2.182 20 30 DEEDHM C=C[C@](C)(CC)C(=O)Nc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000527190163 337736108 /nfs/dbraw/zinc/73/61/08/337736108.db2.gz VEQGGZBZAGUDCT-SJORKVTESA-N -1 3 315.373 2.282 20 30 DEEDHM CC(C)(C)OC(=O)N1CCO[C@@H](C/N=C/c2ccccc2[O-])C1 ZINC000496546811 340007636 /nfs/dbraw/zinc/00/76/36/340007636.db2.gz JLQXNTKJOQVMGT-XKYMITNMSA-N -1 3 320.389 2.447 20 30 DEEDHM C=CC1CCN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000572889349 341708091 /nfs/dbraw/zinc/70/80/91/341708091.db2.gz KUHJDTGGLPQRPJ-ZDUSSCGKSA-N -1 3 316.401 2.288 20 30 DEEDHM CC(C)(C)OC(=O)c1cnc(C([O-])=C(C#N)c2ccccn2)cn1 ZINC000338626784 526535120 /nfs/dbraw/zinc/53/51/20/526535120.db2.gz OQGYNISSYSKCQH-LLVKDONJSA-N -1 3 324.340 2.317 20 30 DEEDHM C=C(C)CS(=O)(=O)[N-][C@@H](CCCC)C(=O)OC(C)(C)C ZINC000189822409 526686193 /nfs/dbraw/zinc/68/61/93/526686193.db2.gz SXTIQAXIWLVLFK-LBPRGKRZSA-N -1 3 305.440 2.382 20 30 DEEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@H]1CCCC(F)(F)C1 ZINC000337204097 526794235 /nfs/dbraw/zinc/79/42/35/526794235.db2.gz IMOIYWXQBRSRCM-JTQLQIEISA-N -1 3 315.345 2.057 20 30 DEEDHM CC(=O)c1ccc(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc1[O-] ZINC000331356125 527222324 /nfs/dbraw/zinc/22/23/24/527222324.db2.gz RMVVWHHCYLUUIS-NEPJUHHUSA-N -1 3 320.389 2.009 20 30 DEEDHM CC[C@@H](O)CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443251862 529220430 /nfs/dbraw/zinc/22/04/30/529220430.db2.gz PYQYMMDTQIFSHJ-GFCCVEGCSA-N -1 3 316.810 2.041 20 30 DEEDHM CCn1cnnc1[N-]C(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000356181171 536137492 /nfs/dbraw/zinc/13/74/92/536137492.db2.gz OFNBDNOTSZISKE-AWEZNQCLSA-N -1 3 313.361 2.212 20 30 DEEDHM C[C@](C#N)(NC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000735502634 598969806 /nfs/dbraw/zinc/96/98/06/598969806.db2.gz BDNZUTSTKTURLL-QGZVFWFLSA-N -1 3 324.388 2.459 20 30 DEEDHM C[C@](C#N)(NC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000735502634 598969808 /nfs/dbraw/zinc/96/98/08/598969808.db2.gz BDNZUTSTKTURLL-QGZVFWFLSA-N -1 3 324.388 2.459 20 30 DEEDHM Cc1n[nH]c(C)c1C=C1CCc2cc(-c3nnn[n-]3)ccc2C1=O ZINC000822414490 599114441 /nfs/dbraw/zinc/11/44/41/599114441.db2.gz HTNLALZVNBXYBS-XYOKQWHBSA-N -1 3 320.356 2.419 20 30 DEEDHM Cc1n[nH]c(C)c1C=C1CCc2cc(-c3nn[n-]n3)ccc2C1=O ZINC000822414490 599114444 /nfs/dbraw/zinc/11/44/44/599114444.db2.gz HTNLALZVNBXYBS-XYOKQWHBSA-N -1 3 320.356 2.419 20 30 DEEDHM O=C(C=Cc1cnn2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000737804697 598278494 /nfs/dbraw/zinc/27/84/94/598278494.db2.gz DUBMLLGVXRLQJA-HJWRWDBZSA-N -1 3 316.324 2.411 20 30 DEEDHM O=C(C=Cc1cnn2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000737804697 598278495 /nfs/dbraw/zinc/27/84/95/598278495.db2.gz DUBMLLGVXRLQJA-HJWRWDBZSA-N -1 3 316.324 2.411 20 30 DEEDHM C=CCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735437593 598725867 /nfs/dbraw/zinc/72/58/67/598725867.db2.gz MUIGKOLARUREAC-UHFFFAOYSA-N -1 3 323.312 2.397 20 30 DEEDHM C=CCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735437593 598725869 /nfs/dbraw/zinc/72/58/69/598725869.db2.gz MUIGKOLARUREAC-UHFFFAOYSA-N -1 3 323.312 2.397 20 30 DEEDHM C=CCCCN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000735412653 599500751 /nfs/dbraw/zinc/50/07/51/599500751.db2.gz HBVHCCKNRAJURY-UHFFFAOYSA-N -1 3 316.365 2.305 20 30 DEEDHM C=CCCCN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000735412653 599500754 /nfs/dbraw/zinc/50/07/54/599500754.db2.gz HBVHCCKNRAJURY-UHFFFAOYSA-N -1 3 316.365 2.305 20 30 DEEDHM C[C@@H](NC(=O)c1sccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820403138 599515348 /nfs/dbraw/zinc/51/53/48/599515348.db2.gz IIGQBJLYZZDWBB-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@@H](NC(=O)c1sccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820403138 599515350 /nfs/dbraw/zinc/51/53/50/599515350.db2.gz IIGQBJLYZZDWBB-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCCCC#N 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COc1ccc(COc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000826207128 607538995 /nfs/dbraw/zinc/53/89/95/607538995.db2.gz BFXGMOSGNMETPK-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM C[C@@H]1OC(C)(C)N(C(=O)[O-])[C@@H]1CNCc1ccc(C#N)s1 ZINC000826125537 603564620 /nfs/dbraw/zinc/56/46/20/603564620.db2.gz HYFXCDMYMVZYGD-JOYOIKCWSA-N -1 3 309.391 2.213 20 30 DEEDHM C#CC[C@@H](OC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000819689320 606181021 /nfs/dbraw/zinc/18/10/21/606181021.db2.gz ZIUPHMLPCUSLNG-AUECHBEKSA-N -1 3 308.341 2.225 20 30 DEEDHM C#CC[C@@H](OC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000819689320 606181022 /nfs/dbraw/zinc/18/10/22/606181022.db2.gz ZIUPHMLPCUSLNG-AUECHBEKSA-N -1 3 308.341 2.225 20 30 DEEDHM C=CCN(Cc1cccs1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000819745685 606245742 /nfs/dbraw/zinc/24/57/42/606245742.db2.gz PJAGHXJHTSHQGB-UHFFFAOYSA-N -1 3 314.374 2.085 20 30 DEEDHM C=CCN(Cc1cccs1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000819745685 606245744 /nfs/dbraw/zinc/24/57/44/606245744.db2.gz PJAGHXJHTSHQGB-UHFFFAOYSA-N -1 3 314.374 2.085 20 30 DEEDHM N#CCCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000822811468 606363880 /nfs/dbraw/zinc/36/38/80/606363880.db2.gz ZNEYMGHGFAIBLO-UHFFFAOYSA-N -1 3 318.340 2.177 20 30 DEEDHM N#CCCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000822811468 606363881 /nfs/dbraw/zinc/36/38/81/606363881.db2.gz ZNEYMGHGFAIBLO-UHFFFAOYSA-N -1 3 318.340 2.177 20 30 DEEDHM N#Cc1ccc(C(=O)OCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000822825648 606990347 /nfs/dbraw/zinc/99/03/47/606990347.db2.gz KBVOIJYSAWCHQF-UHFFFAOYSA-N -1 3 323.287 2.234 20 30 DEEDHM N#Cc1ccc(C(=O)OCc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000822825648 606990348 /nfs/dbraw/zinc/99/03/48/606990348.db2.gz KBVOIJYSAWCHQF-UHFFFAOYSA-N -1 3 323.287 2.234 20 30 DEEDHM N#Cc1nc(N2CCc3ccc(-c4nnn[n-]4)cc32)ccc1Cl ZINC000826387619 607935943 /nfs/dbraw/zinc/93/59/43/607935943.db2.gz GTWMSIHFSRLLHN-UHFFFAOYSA-N -1 3 323.747 2.481 20 30 DEEDHM N#Cc1nc(N2CCc3ccc(-c4nn[n-]n4)cc32)ccc1Cl ZINC000826387619 607935944 /nfs/dbraw/zinc/93/59/44/607935944.db2.gz GTWMSIHFSRLLHN-UHFFFAOYSA-N -1 3 323.747 2.481 20 30 DEEDHM COc1cc(-c2nnn[n-]2)ccc1COc1ccc(C#N)cc1 ZINC000826173147 608260820 /nfs/dbraw/zinc/26/08/20/608260820.db2.gz OSNKEGDZJCEPLN-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM COc1cc(-c2nn[n-]n2)ccc1COc1ccc(C#N)cc1 ZINC000826173147 608260822 /nfs/dbraw/zinc/26/08/22/608260822.db2.gz OSNKEGDZJCEPLN-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM N#Cc1cccc(C(=O)OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826386450 608435758 /nfs/dbraw/zinc/43/57/58/608435758.db2.gz FXYZTLSSZCYEPL-UHFFFAOYSA-N -1 3 323.287 2.234 20 30 DEEDHM N#Cc1cccc(C(=O)OCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826386450 608435760 /nfs/dbraw/zinc/43/57/60/608435760.db2.gz FXYZTLSSZCYEPL-UHFFFAOYSA-N -1 3 323.287 2.234 20 30 DEEDHM COCC(CC(C)C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826150075 608537666 /nfs/dbraw/zinc/53/76/66/608537666.db2.gz VRMWVRAGGCEWGN-UHFFFAOYSA-N -1 3 323.788 2.376 20 30 DEEDHM COCC(CC(C)C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826150075 608537668 /nfs/dbraw/zinc/53/76/68/608537668.db2.gz VRMWVRAGGCEWGN-UHFFFAOYSA-N -1 3 323.788 2.376 20 30 DEEDHM C=CCN(Cc1cc(-c2nnn[n-]2)cs1)CC(F)(F)F ZINC000823909397 608628631 /nfs/dbraw/zinc/62/86/31/608628631.db2.gz BNAPYHUSDPHNEY-UHFFFAOYSA-N -1 3 303.313 2.479 20 30 DEEDHM C=CCN(Cc1cc(-c2nn[n-]n2)cs1)CC(F)(F)F ZINC000823909397 608628632 /nfs/dbraw/zinc/62/86/32/608628632.db2.gz BNAPYHUSDPHNEY-UHFFFAOYSA-N -1 3 303.313 2.479 20 30 DEEDHM N#CC1(COC(=O)c2cc(-c3nnn[n-]3)cs2)CCCC1 ZINC000826380211 609157637 /nfs/dbraw/zinc/15/76/37/609157637.db2.gz REZWBLQWECTEHM-UHFFFAOYSA-N -1 3 303.347 2.169 20 30 DEEDHM N#CC1(COC(=O)c2cc(-c3nn[n-]n3)cs2)CCCC1 ZINC000826380211 609157638 /nfs/dbraw/zinc/15/76/38/609157638.db2.gz REZWBLQWECTEHM-UHFFFAOYSA-N -1 3 303.347 2.169 20 30 DEEDHM C=C(C)COc1cccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000823878178 609453756 /nfs/dbraw/zinc/45/37/56/609453756.db2.gz SKFKAULKMUMKPE-UHFFFAOYSA-N -1 3 324.344 2.402 20 30 DEEDHM 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CC(C)(C#N)CC(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001603034873 1069832967 /nfs/dbraw/zinc/83/29/67/1069832967.db2.gz WUTGDZCHMUFLIN-CQSZACIVSA-N -1 3 324.388 2.300 20 30 DEEDHM CC(C)(C#N)CC(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001603034873 1069832992 /nfs/dbraw/zinc/83/29/92/1069832992.db2.gz WUTGDZCHMUFLIN-CQSZACIVSA-N -1 3 324.388 2.300 20 30 DEEDHM C#C[C@@H]1CCCCN1c1nnc(-c2c[n-]oc2=O)n1CC(C)C ZINC001524878470 1070047201 /nfs/dbraw/zinc/04/72/01/1070047201.db2.gz LPMOJKPCRAKLSK-GFCCVEGCSA-N -1 3 315.377 2.287 20 30 DEEDHM CC1(C)CCCN(C(=O)c2csc(-c3nnn[n-]3)c2)[C@H]1C#N ZINC001603777468 1070096935 /nfs/dbraw/zinc/09/69/35/1070096935.db2.gz AKPYHELHGUPAPC-NSHDSACASA-N -1 3 316.390 2.083 20 30 DEEDHM CC1(C)CCCN(C(=O)c2csc(-c3nnn[n-]3)c2)[C@@H]1C#N ZINC001603777467 1070098046 /nfs/dbraw/zinc/09/80/46/1070098046.db2.gz AKPYHELHGUPAPC-LLVKDONJSA-N -1 3 316.390 2.083 20 30 DEEDHM CC[C@@H](CC#N)NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001604014323 1070176605 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COc1cc(OCC#Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC001605239355 1070656018 /nfs/dbraw/zinc/65/60/18/1070656018.db2.gz UBBJOTAVASTILW-UHFFFAOYSA-N -1 3 306.325 2.306 20 30 DEEDHM COc1ccc2ncc(-c3nnn[n-]3)c(OCCCC#N)c2c1 ZINC001605312041 1070677869 /nfs/dbraw/zinc/67/78/69/1070677869.db2.gz XOHDQBNQMVLOQT-UHFFFAOYSA-N -1 3 310.317 2.106 20 30 DEEDHM COc1ccc2ncc(-c3nn[n-]n3)c(OCCCC#N)c2c1 ZINC001605312041 1070677878 /nfs/dbraw/zinc/67/78/78/1070677878.db2.gz XOHDQBNQMVLOQT-UHFFFAOYSA-N -1 3 310.317 2.106 20 30 DEEDHM Cc1c2ccccc2nc(N2CCC[C@H](C#N)C2)c1-c1nnn[n-]1 ZINC001605464394 1070720526 /nfs/dbraw/zinc/72/05/26/1070720526.db2.gz GFHHVXQSESFZSM-GFCCVEGCSA-N -1 3 319.372 2.463 20 30 DEEDHM Cc1c2ccccc2nc(N2CCC[C@H](C#N)C2)c1-c1nn[n-]n1 ZINC001605464394 1070720542 /nfs/dbraw/zinc/72/05/42/1070720542.db2.gz GFHHVXQSESFZSM-GFCCVEGCSA-N -1 3 319.372 2.463 20 30 DEEDHM C=C[C@@H](C)[C@@H](C)C(=O)N(CC)CCNC(=O)c1ccccc1[O-] ZINC001528756388 1070747524 /nfs/dbraw/zinc/74/75/24/1070747524.db2.gz VOAOBWWETPZXBK-ZIAGYGMSSA-N -1 3 318.417 2.429 20 30 DEEDHM Cc1nc(N(C)Cc2cc(C#N)cs2)ccc1-c1nnn[n-]1 ZINC001606048205 1071028278 /nfs/dbraw/zinc/02/82/78/1071028278.db2.gz AJUMUVKALUECLJ-UHFFFAOYSA-N -1 3 311.374 2.140 20 30 DEEDHM Cc1nc(N(C)Cc2cc(C#N)cs2)ccc1-c1nn[n-]n1 ZINC001606048205 1071028286 /nfs/dbraw/zinc/02/82/86/1071028286.db2.gz AJUMUVKALUECLJ-UHFFFAOYSA-N -1 3 311.374 2.140 20 30 DEEDHM Cc1nnc(SCC2(C#N)CCC2)c(-c2nnn[n-]2)c1C ZINC001606123929 1071047302 /nfs/dbraw/zinc/04/73/02/1071047302.db2.gz KALAONBLNASEHN-UHFFFAOYSA-N -1 3 301.379 2.060 20 30 DEEDHM Cc1nnc(SCC2(C#N)CCC2)c(-c2nn[n-]n2)c1C ZINC001606123929 1071047307 /nfs/dbraw/zinc/04/73/07/1071047307.db2.gz KALAONBLNASEHN-UHFFFAOYSA-N -1 3 301.379 2.060 20 30 DEEDHM N#CCCCOc1cccc(Nc2nnccc2-c2nnn[n-]2)c1 ZINC001606348075 1071131408 /nfs/dbraw/zinc/13/14/08/1071131408.db2.gz KDFNGFRIQYOZOA-UHFFFAOYSA-N -1 3 322.332 2.083 20 30 DEEDHM N#CCCCOc1cccc(Nc2nnccc2-c2nn[n-]n2)c1 ZINC001606348075 1071131427 /nfs/dbraw/zinc/13/14/27/1071131427.db2.gz KDFNGFRIQYOZOA-UHFFFAOYSA-N -1 3 322.332 2.083 20 30 DEEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CCC2)ccc1-c1nnn[n-]1 ZINC001606361679 1071133514 /nfs/dbraw/zinc/13/35/14/1071133514.db2.gz XAVDWPJTMFZSJR-UONOGXRCSA-N -1 3 308.345 2.113 20 30 DEEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CCC2)ccc1-c1nn[n-]n1 ZINC001606361679 1071133519 /nfs/dbraw/zinc/13/35/19/1071133519.db2.gz XAVDWPJTMFZSJR-UONOGXRCSA-N -1 3 308.345 2.113 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC001606379896 1071136773 /nfs/dbraw/zinc/13/67/73/1071136773.db2.gz NSBUUGCRCSMKSQ-GXTWGEPZSA-N -1 3 310.361 2.108 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@H]1CCO[C@@H](C2CC2)C1 ZINC001606379896 1071136779 /nfs/dbraw/zinc/13/67/79/1071136779.db2.gz NSBUUGCRCSMKSQ-GXTWGEPZSA-N -1 3 310.361 2.108 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1(C(F)(F)F)CC1 ZINC001606379810 1071137499 /nfs/dbraw/zinc/13/74/99/1071137499.db2.gz MSYFETRDXHIKMP-UHFFFAOYSA-N -1 3 308.267 2.493 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1(C(F)(F)F)CC1 ZINC001606379810 1071137502 /nfs/dbraw/zinc/13/75/02/1071137502.db2.gz MSYFETRDXHIKMP-UHFFFAOYSA-N -1 3 308.267 2.493 20 30 DEEDHM CCCCN([O-])C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001458024787 1058040553 /nfs/dbraw/zinc/04/05/53/1058040553.db2.gz RJNMYWFIWZONMD-UHFFFAOYSA-N -1 3 311.294 2.454 20 30 DEEDHM N#CCc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001460783499 1058508715 /nfs/dbraw/zinc/50/87/15/1058508715.db2.gz DLPCDSCWCGFKRS-UHFFFAOYSA-N -1 3 322.303 2.324 20 30 DEEDHM N#CCc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001460783499 1058508734 /nfs/dbraw/zinc/50/87/34/1058508734.db2.gz DLPCDSCWCGFKRS-UHFFFAOYSA-N -1 3 322.303 2.324 20 30 DEEDHM C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1cccc(O)c1 ZINC001463619278 1059002549 /nfs/dbraw/zinc/00/25/49/1059002549.db2.gz QPAPAJSFLULBSV-VIFPVBQESA-N -1 3 308.384 2.365 20 30 DEEDHM Cc1ccc(S(=O)(=O)[N-]Cc2cncc(C#N)c2)c(F)c1F ZINC001464588641 1059163130 /nfs/dbraw/zinc/16/31/30/1059163130.db2.gz PWOWEOKKDZGFIU-UHFFFAOYSA-N -1 3 323.324 2.018 20 30 DEEDHM Cc1oc2nc[nH]c(=O)c2c1C(=O)N([O-])Cc1ccc(F)cc1 ZINC001472623035 1060553462 /nfs/dbraw/zinc/55/34/62/1060553462.db2.gz UENXUHUYXVYGJI-UHFFFAOYSA-N -1 3 317.276 2.408 20 30 DEEDHM C=CC(C)(C)CC(=O)NC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001535130713 1072077022 /nfs/dbraw/zinc/07/70/22/1072077022.db2.gz BGDSLNYBBHJFHP-UHFFFAOYSA-N -1 3 316.401 2.373 20 30 DEEDHM N#Cc1ccccc1C=CC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001624725674 1078228349 /nfs/dbraw/zinc/22/83/49/1078228349.db2.gz KOZHLHQRPROSIR-BQYQJAHWSA-N -1 3 306.325 2.046 20 30 DEEDHM C=C(C)CO[N-]C(=O)Cc1ccc(Br)cc1C#N ZINC001628314626 1078295678 /nfs/dbraw/zinc/29/56/78/1078295678.db2.gz WLAWGDVTTOCULN-UHFFFAOYSA-N -1 3 309.163 2.487 20 30 DEEDHM Cc1ccc([O-])c(NC(=O)C(=O)/C=C/c2ccc(F)cc2)n1 ZINC001634275939 1078423594 /nfs/dbraw/zinc/42/35/94/1078423594.db2.gz DCSGJZKINMFPEA-WEVVVXLNSA-N -1 3 300.289 2.456 20 30 DEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccsc1C#N ZINC001579246405 1067272619 /nfs/dbraw/zinc/27/26/19/1067272619.db2.gz DBHGDHMOVGTVKB-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccsc1C#N ZINC001579246405 1067272630 /nfs/dbraw/zinc/27/26/30/1067272630.db2.gz DBHGDHMOVGTVKB-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM C#Cc1cccc(CNC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC001639154935 1078597856 /nfs/dbraw/zinc/59/78/56/1078597856.db2.gz MPGDUFCCJAOSRT-UHFFFAOYSA-N -1 3 311.337 2.321 20 30 DEEDHM COC(=O)c1cnc(SCc2ccc(C#N)cc2[N+](=O)[O-])[n-]1 ZINC001641068074 1078691555 /nfs/dbraw/zinc/69/15/55/1078691555.db2.gz FDBHKARMORUUAA-UHFFFAOYSA-N -1 3 318.314 2.268 20 30 DEEDHM C=C(C)Cn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](C2CC2)C1 ZINC001515691616 1068895069 /nfs/dbraw/zinc/89/50/69/1068895069.db2.gz VGQQXZXADKDQPH-GFCCVEGCSA-N -1 3 315.377 2.451 20 30 DEEDHM C=C(C)COC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001515884650 1068903676 /nfs/dbraw/zinc/90/36/76/1068903676.db2.gz XOUZPYUUCKLBNQ-UHFFFAOYSA-N -1 3 303.767 2.444 20 30 DEEDHM Cn1cnc(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)cc1=O ZINC001518424973 1069003949 /nfs/dbraw/zinc/00/39/49/1069003949.db2.gz BUBXKLUNCNXOIY-SECBINFHSA-N -1 3 316.386 2.024 20 30 DEEDHM Cc1sc([N-]C(=O)c2nc3ncc(C)cn3n2)c(C#N)c1C ZINC001521055915 1069202086 /nfs/dbraw/zinc/20/20/86/1069202086.db2.gz VCLFQLRBDCEUBA-UHFFFAOYSA-N -1 3 312.358 2.235 20 30 DEEDHM C=CCC[C@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ncccc1[O-] ZINC001566750254 1075335097 /nfs/dbraw/zinc/33/50/97/1075335097.db2.gz AMKSKPWWMIDLLP-SOUVJXGZSA-N -1 3 315.417 2.431 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C#N)ccc1F ZINC001580621117 1075963966 /nfs/dbraw/zinc/96/39/66/1075963966.db2.gz JCZSYZOFSNVUIO-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C#N)ccc1F ZINC001580621117 1075963968 /nfs/dbraw/zinc/96/39/68/1075963968.db2.gz JCZSYZOFSNVUIO-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C#N)cc1F ZINC001581136056 1076044710 /nfs/dbraw/zinc/04/47/10/1076044710.db2.gz AQSJYYSHEDRRPQ-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)cc1F ZINC001581136056 1076044714 /nfs/dbraw/zinc/04/47/14/1076044714.db2.gz AQSJYYSHEDRRPQ-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)s2)nc(C2CC2)n1 ZINC001581870433 1076106390 /nfs/dbraw/zinc/10/63/90/1076106390.db2.gz AUSZFELGXXQZLH-UHFFFAOYSA-N -1 3 324.373 2.079 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)NCC1CN(C(=O)c2ccccc2[O-])C1 ZINC001582250697 1076135169 /nfs/dbraw/zinc/13/51/69/1076135169.db2.gz UNQSBLPKHYKDDR-SFHVURJKSA-N -1 3 316.401 2.183 20 30 DEEDHM C#C[C@@](C)(CC)NC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001588325886 1076440011 /nfs/dbraw/zinc/44/00/11/1076440011.db2.gz YQQUDFJMSKBFST-ZDUSSCGKSA-N -1 3 304.379 2.160 20 30 DEEDHM C#C[C@@](C)(CC)NC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001588325886 1076440014 /nfs/dbraw/zinc/44/00/14/1076440014.db2.gz YQQUDFJMSKBFST-ZDUSSCGKSA-N -1 3 304.379 2.160 20 30 DEEDHM C#C[C@](C)(CC)NC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001588325725 1076440062 /nfs/dbraw/zinc/44/00/62/1076440062.db2.gz TWZYXRARHITTBY-CQSZACIVSA-N -1 3 303.753 2.052 20 30 DEEDHM C#C[C@](C)(CC)NC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001588325725 1076440064 /nfs/dbraw/zinc/44/00/64/1076440064.db2.gz TWZYXRARHITTBY-CQSZACIVSA-N -1 3 303.753 2.052 20 30 DEEDHM C#CCN(Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C(C)(C)C ZINC001588350633 1076442978 /nfs/dbraw/zinc/44/29/78/1076442978.db2.gz IRFGYFZCBGMTIC-UHFFFAOYSA-N -1 3 314.349 2.009 20 30 DEEDHM C#CCN(Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C(C)(C)C ZINC001588350633 1076442981 /nfs/dbraw/zinc/44/29/81/1076442981.db2.gz IRFGYFZCBGMTIC-UHFFFAOYSA-N -1 3 314.349 2.009 20 30 DEEDHM C#CCOc1ccccc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC001588363309 1076443026 /nfs/dbraw/zinc/44/30/26/1076443026.db2.gz YCWVCKBFPCTKEH-UHFFFAOYSA-N -1 3 318.340 2.325 20 30 DEEDHM C#CCOc1ccccc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC001588363309 1076443029 /nfs/dbraw/zinc/44/30/29/1076443029.db2.gz YCWVCKBFPCTKEH-UHFFFAOYSA-N -1 3 318.340 2.325 20 30 DEEDHM C#CCCCCNc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC001588346153 1076443598 /nfs/dbraw/zinc/44/35/98/1076443598.db2.gz ZQWMBFPFHKUOCW-UHFFFAOYSA-N -1 3 307.361 2.268 20 30 DEEDHM C#CCCCCNc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC001588346153 1076443601 /nfs/dbraw/zinc/44/36/01/1076443601.db2.gz ZQWMBFPFHKUOCW-UHFFFAOYSA-N -1 3 307.361 2.268 20 30 DEEDHM C=C(Br)CN1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588387631 1076445751 /nfs/dbraw/zinc/44/57/51/1076445751.db2.gz ULRTYHMGDVUZLV-UHFFFAOYSA-N -1 3 306.167 2.091 20 30 DEEDHM C=C(Br)CN1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588387631 1076445756 /nfs/dbraw/zinc/44/57/56/1076445756.db2.gz ULRTYHMGDVUZLV-UHFFFAOYSA-N -1 3 306.167 2.091 20 30 DEEDHM C=C1CCN(c2nc3cc(Cl)ccn3c2-c2nnn[n-]2)CC1 ZINC001588462663 1076449425 /nfs/dbraw/zinc/44/94/25/1076449425.db2.gz MCTITEQSPIOCGY-UHFFFAOYSA-N -1 3 315.768 2.324 20 30 DEEDHM C=C1CCN(c2nc3cc(Cl)ccn3c2-c2nn[n-]n2)CC1 ZINC001588462663 1076449426 /nfs/dbraw/zinc/44/94/26/1076449426.db2.gz MCTITEQSPIOCGY-UHFFFAOYSA-N -1 3 315.768 2.324 20 30 DEEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1-c1nnn[n-]1 ZINC001588456203 1076449530 /nfs/dbraw/zinc/44/95/30/1076449530.db2.gz IQQLJOUYWXAQNM-AOOOYVTPSA-N -1 3 301.375 2.251 20 30 DEEDHM C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1sccc1-c1nn[n-]n1 ZINC001588456203 1076449534 /nfs/dbraw/zinc/44/95/34/1076449534.db2.gz IQQLJOUYWXAQNM-AOOOYVTPSA-N -1 3 301.375 2.251 20 30 DEEDHM C=C(CSc1ccc(-c2nnn[n-]2)cc1F)C(=O)OCC ZINC001588449339 1076449738 /nfs/dbraw/zinc/44/97/38/1076449738.db2.gz MKEIPEZPISRBMC-UHFFFAOYSA-N -1 3 308.338 2.217 20 30 DEEDHM C=C(CSc1ccc(-c2nn[n-]n2)cc1F)C(=O)OCC ZINC001588449339 1076449742 /nfs/dbraw/zinc/44/97/42/1076449742.db2.gz MKEIPEZPISRBMC-UHFFFAOYSA-N -1 3 308.338 2.217 20 30 DEEDHM C=CC(C)(C)CCOC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588488925 1076450560 /nfs/dbraw/zinc/45/05/60/1076450560.db2.gz QXSCXUITHITMFK-UHFFFAOYSA-N -1 3 301.350 2.329 20 30 DEEDHM C=CC(C)(C)CCOC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588488925 1076450562 /nfs/dbraw/zinc/45/05/62/1076450562.db2.gz QXSCXUITHITMFK-UHFFFAOYSA-N -1 3 301.350 2.329 20 30 DEEDHM C=CC(C)(C)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588487980 1076450596 /nfs/dbraw/zinc/45/05/96/1076450596.db2.gz CPVGBLGVKFMDRN-UHFFFAOYSA-N -1 3 304.329 2.340 20 30 DEEDHM C=CC(C)(C)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588487980 1076450597 /nfs/dbraw/zinc/45/05/97/1076450597.db2.gz CPVGBLGVKFMDRN-UHFFFAOYSA-N -1 3 304.329 2.340 20 30 DEEDHM C=C[C@H]1CCCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588527435 1076451295 /nfs/dbraw/zinc/45/12/95/1076451295.db2.gz KEWQCMXGJVURAK-HNNXBMFYSA-N -1 3 311.389 2.366 20 30 DEEDHM C=C[C@H]1CCCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588527435 1076451297 /nfs/dbraw/zinc/45/12/97/1076451297.db2.gz KEWQCMXGJVURAK-HNNXBMFYSA-N -1 3 311.389 2.366 20 30 DEEDHM C=C[C@@H](Sc1cccc(Cl)c1-c1nnn[n-]1)C(=O)OC ZINC001588525475 1076451307 /nfs/dbraw/zinc/45/13/07/1076451307.db2.gz HRQHYRDAMWIRLA-MRVPVSSYSA-N -1 3 310.766 2.340 20 30 DEEDHM C=C[C@@H](Sc1cccc(Cl)c1-c1nn[n-]n1)C(=O)OC ZINC001588525475 1076451309 /nfs/dbraw/zinc/45/13/09/1076451309.db2.gz HRQHYRDAMWIRLA-MRVPVSSYSA-N -1 3 310.766 2.340 20 30 DEEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588558806 1076453952 /nfs/dbraw/zinc/45/39/52/1076453952.db2.gz DLXGPLOFBRMJAA-DGCLKSJQSA-N -1 3 312.377 2.126 20 30 DEEDHM C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588558806 1076453953 /nfs/dbraw/zinc/45/39/53/1076453953.db2.gz DLXGPLOFBRMJAA-DGCLKSJQSA-N -1 3 312.377 2.126 20 30 DEEDHM C=CCC(F)(F)C(=O)N1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001588546023 1076453995 /nfs/dbraw/zinc/45/39/95/1076453995.db2.gz UZIRIPKYIUIJLZ-UHFFFAOYSA-N -1 3 319.315 2.357 20 30 DEEDHM C=CCC(F)(F)C(=O)N1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001588546023 1076453998 /nfs/dbraw/zinc/45/39/98/1076453998.db2.gz UZIRIPKYIUIJLZ-UHFFFAOYSA-N -1 3 319.315 2.357 20 30 DEEDHM C=CCC1(COC(=O)c2ncc(-c3nnn[n-]3)cc2C)CCC1 ZINC001588556841 1076454018 /nfs/dbraw/zinc/45/40/18/1076454018.db2.gz GGIGMNGCSWEWCV-UHFFFAOYSA-N -1 3 313.361 2.473 20 30 DEEDHM C=CCC1(COC(=O)c2ncc(-c3nn[n-]n3)cc2C)CCC1 ZINC001588556841 1076454021 /nfs/dbraw/zinc/45/40/21/1076454021.db2.gz GGIGMNGCSWEWCV-UHFFFAOYSA-N -1 3 313.361 2.473 20 30 DEEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2F)C1 ZINC001588559405 1076454370 /nfs/dbraw/zinc/45/43/70/1076454370.db2.gz JXQQPTMDOANRFR-LLVKDONJSA-N -1 3 315.352 2.434 20 30 DEEDHM C=CC[C@@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2F)C1 ZINC001588559405 1076454373 /nfs/dbraw/zinc/45/43/73/1076454373.db2.gz JXQQPTMDOANRFR-LLVKDONJSA-N -1 3 315.352 2.434 20 30 DEEDHM C=CCCC[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588594879 1076455998 /nfs/dbraw/zinc/45/59/98/1076455998.db2.gz VEVXMWNYJSAQRW-NSHDSACASA-N -1 3 315.377 2.350 20 30 DEEDHM C=CCCC[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588594879 1076456001 /nfs/dbraw/zinc/45/60/01/1076456001.db2.gz VEVXMWNYJSAQRW-NSHDSACASA-N -1 3 315.377 2.350 20 30 DEEDHM C=CCCCS(=O)(=O)Oc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588603295 1076457609 /nfs/dbraw/zinc/45/76/09/1076457609.db2.gz KKALZXMDTQELRL-UHFFFAOYSA-N -1 3 322.390 2.158 20 30 DEEDHM C=CCCCS(=O)(=O)Oc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588603295 1076457611 /nfs/dbraw/zinc/45/76/11/1076457611.db2.gz KKALZXMDTQELRL-UHFFFAOYSA-N -1 3 322.390 2.158 20 30 DEEDHM C=CCCSCCNC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588618185 1076458348 /nfs/dbraw/zinc/45/83/48/1076458348.db2.gz XPVLAPUNIGPXEU-UHFFFAOYSA-N -1 3 321.381 2.045 20 30 DEEDHM C=CCCSCCNC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588618185 1076458351 /nfs/dbraw/zinc/45/83/51/1076458351.db2.gz XPVLAPUNIGPXEU-UHFFFAOYSA-N -1 3 321.381 2.045 20 30 DEEDHM C=CCOCCCNc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC001588682068 1076460876 /nfs/dbraw/zinc/46/08/76/1076460876.db2.gz AQQKCDGGEKUIIU-UHFFFAOYSA-N -1 3 314.393 2.145 20 30 DEEDHM C=CCOCCCNc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001588682068 1076460878 /nfs/dbraw/zinc/46/08/78/1076460878.db2.gz AQQKCDGGEKUIIU-UHFFFAOYSA-N -1 3 314.393 2.145 20 30 DEEDHM C=CCO[C@@H]1CCN(c2c(Cl)cccc2-c2nnn[n-]2)C1 ZINC001588665382 1076460912 /nfs/dbraw/zinc/46/09/12/1076460912.db2.gz KETKCKQSLDDBMN-SNVBAGLBSA-N -1 3 305.769 2.301 20 30 DEEDHM C=CCO[C@@H]1CCN(c2c(Cl)cccc2-c2nn[n-]n2)C1 ZINC001588665382 1076460915 /nfs/dbraw/zinc/46/09/15/1076460915.db2.gz KETKCKQSLDDBMN-SNVBAGLBSA-N -1 3 305.769 2.301 20 30 DEEDHM CC(C)(C#N)C(=O)OCc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001589034080 1076472771 /nfs/dbraw/zinc/47/27/71/1076472771.db2.gz QSPQVAVPYDDKTN-UHFFFAOYSA-N -1 3 305.725 2.113 20 30 DEEDHM CC(C)(C#N)C(=O)OCc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001589034080 1076472774 /nfs/dbraw/zinc/47/27/74/1076472774.db2.gz QSPQVAVPYDDKTN-UHFFFAOYSA-N -1 3 305.725 2.113 20 30 DEEDHM CC(C)C[C@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589542247 1076498229 /nfs/dbraw/zinc/49/82/29/1076498229.db2.gz VMBCXYFVIMADHI-KBOKABMXSA-N -1 3 324.388 2.324 20 30 DEEDHM CC(C)C[C@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589542247 1076498232 /nfs/dbraw/zinc/49/82/32/1076498232.db2.gz VMBCXYFVIMADHI-KBOKABMXSA-N -1 3 324.388 2.324 20 30 DEEDHM CC(F)(F)C(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001589905491 1076527179 /nfs/dbraw/zinc/52/71/79/1076527179.db2.gz DFDQSTKTTVGSSH-UHFFFAOYSA-N -1 3 320.303 2.358 20 30 DEEDHM CC(F)(F)C(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001589905491 1076527183 /nfs/dbraw/zinc/52/71/83/1076527183.db2.gz DFDQSTKTTVGSSH-UHFFFAOYSA-N -1 3 320.303 2.358 20 30 DEEDHM C[C@@]1(C#N)CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001590054091 1076554825 /nfs/dbraw/zinc/55/48/25/1076554825.db2.gz IGEMVVHCISSBKC-HNNXBMFYSA-N -1 3 300.341 2.131 20 30 DEEDHM C[C@@]1(C#N)CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001590054091 1076554829 /nfs/dbraw/zinc/55/48/29/1076554829.db2.gz IGEMVVHCISSBKC-HNNXBMFYSA-N -1 3 300.341 2.131 20 30 DEEDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001590223356 1076589004 /nfs/dbraw/zinc/58/90/04/1076589004.db2.gz QCLYJARMTGBOAG-XIDUGBJDSA-N -1 3 322.372 2.359 20 30 DEEDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001590223356 1076589008 /nfs/dbraw/zinc/58/90/08/1076589008.db2.gz QCLYJARMTGBOAG-XIDUGBJDSA-N -1 3 322.372 2.359 20 30 DEEDHM CN(C(=O)c1ccc(F)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590994129 1076701387 /nfs/dbraw/zinc/70/13/87/1076701387.db2.gz FOWJXQRHZBLFBN-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM CN(C(=O)c1ccc(F)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590994129 1076701391 /nfs/dbraw/zinc/70/13/91/1076701391.db2.gz FOWJXQRHZBLFBN-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM COc1cc(OCc2cccc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001591553092 1076757075 /nfs/dbraw/zinc/75/70/75/1076757075.db2.gz UUIUCMRUSPXEIA-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM COc1cc(OCc2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001591553092 1076757078 /nfs/dbraw/zinc/75/70/78/1076757078.db2.gz UUIUCMRUSPXEIA-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@](C)(C#N)C(C)(C)C ZINC001591861211 1076797477 /nfs/dbraw/zinc/79/74/77/1076797477.db2.gz AYTWBKUIENAJLR-INIZCTEOSA-N -1 3 312.377 2.233 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@](C)(C#N)C(C)(C)C ZINC001591861211 1076797480 /nfs/dbraw/zinc/79/74/80/1076797480.db2.gz AYTWBKUIENAJLR-INIZCTEOSA-N -1 3 312.377 2.233 20 30 DEEDHM Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)C#CC(C)(C)C ZINC001591982609 1076826708 /nfs/dbraw/zinc/82/67/08/1076826708.db2.gz LXZCFEPMDYDTEA-UHFFFAOYSA-N -1 3 301.325 2.302 20 30 DEEDHM Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)C#CC(C)(C)C ZINC001591982609 1076826714 /nfs/dbraw/zinc/82/67/14/1076826714.db2.gz LXZCFEPMDYDTEA-UHFFFAOYSA-N -1 3 301.325 2.302 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1csc(C#N)c1 ZINC001592107572 1076848769 /nfs/dbraw/zinc/84/87/69/1076848769.db2.gz CCHFWYICNXNNTI-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1csc(C#N)c1 ZINC001592107572 1076848779 /nfs/dbraw/zinc/84/87/79/1076848779.db2.gz CCHFWYICNXNNTI-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1-c1nnn[n-]1 ZINC001592122790 1076851725 /nfs/dbraw/zinc/85/17/25/1076851725.db2.gz GGGQXMWAJVSIPM-GTNSWQLSSA-N -1 3 324.388 2.377 20 30 DEEDHM Cc1ccc(C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1-c1nn[n-]n1 ZINC001592122790 1076851730 /nfs/dbraw/zinc/85/17/30/1076851730.db2.gz GGGQXMWAJVSIPM-GTNSWQLSSA-N -1 3 324.388 2.377 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@H]1CCc2ccccc2C1 ZINC001592340428 1076900813 /nfs/dbraw/zinc/90/08/13/1076900813.db2.gz FEJPHDSLPRDPRE-LBPRGKRZSA-N -1 3 319.372 2.048 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@H]1CCc2ccccc2C1 ZINC001592340428 1076900818 /nfs/dbraw/zinc/90/08/18/1076900818.db2.gz FEJPHDSLPRDPRE-LBPRGKRZSA-N -1 3 319.372 2.048 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCCSC(C)(C)C ZINC001592341456 1076900948 /nfs/dbraw/zinc/90/09/48/1076900948.db2.gz ZEOVVVBKIXSECQ-UHFFFAOYSA-N -1 3 305.411 2.165 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCCSC(C)(C)C ZINC001592341456 1076900951 /nfs/dbraw/zinc/90/09/51/1076900951.db2.gz ZEOVVVBKIXSECQ-UHFFFAOYSA-N -1 3 305.411 2.165 20 30 DEEDHM Cn1ncc(Cl)c1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592601257 1076932568 /nfs/dbraw/zinc/93/25/68/1076932568.db2.gz VVIIZLSHPCTYNK-AATRIKPKSA-N -1 3 314.736 2.150 20 30 DEEDHM Cn1ncc(Cl)c1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592601257 1076932569 /nfs/dbraw/zinc/93/25/69/1076932569.db2.gz VVIIZLSHPCTYNK-AATRIKPKSA-N -1 3 314.736 2.150 20 30 DEEDHM FC1(F)CCC[C@@H]1CNN=Cc1cccc(-c2nnn[n-]2)c1 ZINC001592628014 1076935222 /nfs/dbraw/zinc/93/52/22/1076935222.db2.gz LLOZCOYESZMTTN-GFCCVEGCSA-N -1 3 306.320 2.226 20 30 DEEDHM FC1(F)CCC[C@@H]1CNN=Cc1cccc(-c2nn[n-]n2)c1 ZINC001592628014 1076935224 /nfs/dbraw/zinc/93/52/24/1076935224.db2.gz LLOZCOYESZMTTN-GFCCVEGCSA-N -1 3 306.320 2.226 20 30 DEEDHM N#CC1(COC(=O)c2cc(-c3nnn[n-]3)ccc2Cl)CCC1 ZINC001592670324 1076949007 /nfs/dbraw/zinc/94/90/07/1076949007.db2.gz XLVDSHDNDWWRFK-UHFFFAOYSA-N -1 3 317.736 2.371 20 30 DEEDHM N#CC1(COC(=O)c2cc(-c3nn[n-]n3)ccc2Cl)CCC1 ZINC001592670324 1076949012 /nfs/dbraw/zinc/94/90/12/1076949012.db2.gz XLVDSHDNDWWRFK-UHFFFAOYSA-N -1 3 317.736 2.371 20 30 DEEDHM N#CC1(CNc2c(Cl)cccc2-c2nnn[n-]2)CCOCC1 ZINC001592669464 1076949062 /nfs/dbraw/zinc/94/90/62/1076949062.db2.gz JCFIIZKDSSEMAE-UHFFFAOYSA-N -1 3 318.768 2.252 20 30 DEEDHM N#CC1(CNc2c(Cl)cccc2-c2nn[n-]n2)CCOCC1 ZINC001592669464 1076949066 /nfs/dbraw/zinc/94/90/66/1076949066.db2.gz JCFIIZKDSSEMAE-UHFFFAOYSA-N -1 3 318.768 2.252 20 30 DEEDHM N#CCOc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001592678734 1076951463 /nfs/dbraw/zinc/95/14/63/1076951463.db2.gz NCEIXJWRKDBYNN-UHFFFAOYSA-N -1 3 319.328 2.215 20 30 DEEDHM N#CCOc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001592678734 1076951466 /nfs/dbraw/zinc/95/14/66/1076951466.db2.gz NCEIXJWRKDBYNN-UHFFFAOYSA-N -1 3 319.328 2.215 20 30 DEEDHM N#CCCCNC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001592676347 1076951683 /nfs/dbraw/zinc/95/16/83/1076951683.db2.gz LVHLJTZIOYZRTQ-UHFFFAOYSA-N -1 3 311.349 2.169 20 30 DEEDHM N#CCCCNC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001592676347 1076951685 /nfs/dbraw/zinc/95/16/85/1076951685.db2.gz LVHLJTZIOYZRTQ-UHFFFAOYSA-N -1 3 311.349 2.169 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC2(CC2(F)F)CC1 ZINC001592699077 1076954033 /nfs/dbraw/zinc/95/40/33/1076954033.db2.gz PDVHHGMRDQBISZ-UHFFFAOYSA-N -1 3 316.315 2.364 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC2(CC2(F)F)CC1 ZINC001592699077 1076954036 /nfs/dbraw/zinc/95/40/36/1076954036.db2.gz PDVHHGMRDQBISZ-UHFFFAOYSA-N -1 3 316.315 2.364 20 30 DEEDHM N#Cc1ccc2c(c1)CN(Cc1ccc(-c3nnn[n-]3)cc1F)C2 ZINC001592698219 1076954097 /nfs/dbraw/zinc/95/40/97/1076954097.db2.gz PHHRQHHMELIICB-UHFFFAOYSA-N -1 3 320.331 2.393 20 30 DEEDHM N#Cc1ccc2c(c1)CN(Cc1ccc(-c3nn[n-]n3)cc1F)C2 ZINC001592698219 1076954101 /nfs/dbraw/zinc/95/41/01/1076954101.db2.gz PHHRQHHMELIICB-UHFFFAOYSA-N -1 3 320.331 2.393 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC1CC2(CC2(F)F)C1 ZINC001592698563 1076954193 /nfs/dbraw/zinc/95/41/93/1076954193.db2.gz CSIBFRLLHIZTHC-UHFFFAOYSA-N -1 3 302.288 2.338 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC1CC2(CC2(F)F)C1 ZINC001592698563 1076954199 /nfs/dbraw/zinc/95/41/99/1076954199.db2.gz CSIBFRLLHIZTHC-UHFFFAOYSA-N -1 3 302.288 2.338 20 30 DEEDHM N#Cc1ccc(NC(=O)c2sccc2F)cc1-c1nnn[n-]1 ZINC001592696113 1076954464 /nfs/dbraw/zinc/95/44/64/1076954464.db2.gz HMMDIBXVDJNNNJ-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1ccc(NC(=O)c2sccc2F)cc1-c1nn[n-]n1 ZINC001592696113 1076954471 /nfs/dbraw/zinc/95/44/71/1076954471.db2.gz HMMDIBXVDJNNNJ-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2ccsc2C1 ZINC001592698618 1076954619 /nfs/dbraw/zinc/95/46/19/1076954619.db2.gz FQZVDYAKCTWZQB-UHFFFAOYSA-N -1 3 308.370 2.363 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2ccsc2C1 ZINC001592698618 1076954622 /nfs/dbraw/zinc/95/46/22/1076954622.db2.gz FQZVDYAKCTWZQB-UHFFFAOYSA-N -1 3 308.370 2.363 20 30 DEEDHM N#Cc1ccccc1COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592701741 1076955489 /nfs/dbraw/zinc/95/54/89/1076955489.db2.gz POCAXNQKMXUBIO-UHFFFAOYSA-N -1 3 305.297 2.095 20 30 DEEDHM N#Cc1ccccc1COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592701741 1076955492 /nfs/dbraw/zinc/95/54/92/1076955492.db2.gz POCAXNQKMXUBIO-UHFFFAOYSA-N -1 3 305.297 2.095 20 30 DEEDHM O=C(C=Cc1cn(C2CCC2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001592801972 1076961464 /nfs/dbraw/zinc/96/14/64/1076961464.db2.gz MKHKZVGSSAICFV-HJWRWDBZSA-N -1 3 321.344 2.079 20 30 DEEDHM O=C(C=Cc1cn(C2CCC2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001592801972 1076961466 /nfs/dbraw/zinc/96/14/66/1076961466.db2.gz MKHKZVGSSAICFV-HJWRWDBZSA-N -1 3 321.344 2.079 20 30 DEEDHM C[C@@H]1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2N1Cc1ccc(C#N)cc1 ZINC001594341535 1077052633 /nfs/dbraw/zinc/05/26/33/1077052633.db2.gz UZMQEELRJWTYNG-BQDHKBFISA-N -1 3 300.358 2.153 20 30 DEEDHM N#CC1([N-]C(=O)C(F)(F)C2(O)CCCCC2)CCSCC1 ZINC001596302941 1077077059 /nfs/dbraw/zinc/07/70/59/1077077059.db2.gz FKSHHNBBQNCIDX-UHFFFAOYSA-N -1 3 318.389 2.222 20 30 DEEDHM Cc1csc(C(C#N)C(=O)Nc2ccccc2C(=O)[O-])n1 ZINC001600655480 1077241796 /nfs/dbraw/zinc/24/17/96/1077241796.db2.gz QEDSRUXLVBGCSZ-SNVBAGLBSA-N -1 3 301.327 2.396 20 30 DEEDHM C#CCCN(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC001609020517 1077742356 /nfs/dbraw/zinc/74/23/56/1077742356.db2.gz NGEYDTZZKBKRHM-UHFFFAOYSA-N -1 3 309.295 2.254 20 30 DEEDHM C#CCCN(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC001609020517 1077742359 /nfs/dbraw/zinc/74/23/59/1077742359.db2.gz NGEYDTZZKBKRHM-UHFFFAOYSA-N -1 3 309.295 2.254 20 30 DEEDHM C=CC[C@@H]1N(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCC1(C)C ZINC001609053406 1077749985 /nfs/dbraw/zinc/74/99/85/1077749985.db2.gz JQFLATOWIXBWNG-ZDUSSCGKSA-N -1 3 314.393 2.402 20 30 DEEDHM C=CC[C@@H]1N(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCC1(C)C ZINC001609053406 1077749988 /nfs/dbraw/zinc/74/99/88/1077749988.db2.gz JQFLATOWIXBWNG-ZDUSSCGKSA-N -1 3 314.393 2.402 20 30 DEEDHM CC(C)C[C@@H](C)CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001609092986 1077760331 /nfs/dbraw/zinc/76/03/31/1077760331.db2.gz KJSBWFQEONBYDP-SECBINFHSA-N -1 3 317.422 2.490 20 30 DEEDHM CC(C)C[C@@H](C)CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001609092986 1077760334 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DEEDHM N#Cc1cscc1C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001581878335 1076107171 /nfs/dbraw/zinc/10/71/71/1076107171.db2.gz GREXLWBNLJEAQO-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM C#C[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588332988 1076441317 /nfs/dbraw/zinc/44/13/17/1076441317.db2.gz XITRFYFMPKIJMS-WFASDCNBSA-N -1 3 324.388 2.125 20 30 DEEDHM C#C[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588332988 1076441320 /nfs/dbraw/zinc/44/13/20/1076441320.db2.gz XITRFYFMPKIJMS-WFASDCNBSA-N -1 3 324.388 2.125 20 30 DEEDHM C#CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC001588334737 1076442069 /nfs/dbraw/zinc/44/20/69/1076442069.db2.gz IUZZWEOWQRFENA-CYBMUJFWSA-N -1 3 316.748 2.479 20 30 DEEDHM C#CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC001588334737 1076442073 /nfs/dbraw/zinc/44/20/73/1076442073.db2.gz IUZZWEOWQRFENA-CYBMUJFWSA-N -1 3 316.748 2.479 20 30 DEEDHM C#CCCC[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588341855 1076442141 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ZINC001588429052 1076447440 /nfs/dbraw/zinc/44/74/40/1076447440.db2.gz AUWRPHXVIRBKRU-UHFFFAOYSA-N -1 3 310.155 2.288 20 30 DEEDHM C=C(C)COc1nc(C)c(-c2nn[n-]n2)cc1Br ZINC001588429052 1076447442 /nfs/dbraw/zinc/44/74/42/1076447442.db2.gz AUWRPHXVIRBKRU-UHFFFAOYSA-N -1 3 310.155 2.288 20 30 DEEDHM C=C(C)CCNC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001588424806 1076447709 /nfs/dbraw/zinc/44/77/09/1076447709.db2.gz NNLAXYRCOHOTKQ-UHFFFAOYSA-N -1 3 304.329 2.402 20 30 DEEDHM C=C(C)CCNC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001588424806 1076447712 /nfs/dbraw/zinc/44/77/12/1076447712.db2.gz NNLAXYRCOHOTKQ-UHFFFAOYSA-N -1 3 304.329 2.402 20 30 DEEDHM C=C1CC(C)(c2noc(Cc3cccc(-c4nnn[n-]4)c3)n2)C1 ZINC001588455941 1076449153 /nfs/dbraw/zinc/44/91/53/1076449153.db2.gz FCEOQGHTVMLZMG-UHFFFAOYSA-N -1 3 308.345 2.448 20 30 DEEDHM C=C1CC(C)(c2noc(Cc3cccc(-c4nn[n-]n4)c3)n2)C1 ZINC001588455941 1076449157 /nfs/dbraw/zinc/44/91/57/1076449157.db2.gz FCEOQGHTVMLZMG-UHFFFAOYSA-N -1 3 308.345 2.448 20 30 DEEDHM C=CC(C)(C)CC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001588483685 1076450440 /nfs/dbraw/zinc/45/04/40/1076450440.db2.gz OUCFLRDBPUHXKT-UHFFFAOYSA-N -1 3 303.341 2.224 20 30 DEEDHM C=CC(C)(C)CC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001588483685 1076450443 /nfs/dbraw/zinc/45/04/43/1076450443.db2.gz OUCFLRDBPUHXKT-UHFFFAOYSA-N -1 3 303.341 2.224 20 30 DEEDHM C=C[C@@](C)(CC)COC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588496071 1076450532 /nfs/dbraw/zinc/45/05/32/1076450532.db2.gz MBDLTFUKWBKLEA-INIZCTEOSA-N -1 3 316.361 2.391 20 30 DEEDHM C=C[C@@](C)(CC)COC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588496071 1076450534 /nfs/dbraw/zinc/45/05/34/1076450534.db2.gz MBDLTFUKWBKLEA-INIZCTEOSA-N -1 3 316.361 2.391 20 30 DEEDHM C=CC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC001588527277 1076451903 /nfs/dbraw/zinc/45/19/03/1076451903.db2.gz FPKHJRUFJRSHEB-UHFFFAOYSA-N -1 3 316.340 2.436 20 30 DEEDHM C=CC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)CC1 ZINC001588527277 1076451906 /nfs/dbraw/zinc/45/19/06/1076451906.db2.gz FPKHJRUFJRSHEB-UHFFFAOYSA-N -1 3 316.340 2.436 20 30 DEEDHM C=CCCC[C@H](C)NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588594388 1076456128 /nfs/dbraw/zinc/45/61/28/1076456128.db2.gz NLICWYOOUWCHKM-JTQLQIEISA-N -1 3 303.341 2.480 20 30 DEEDHM C=CCCC[C@H](C)NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588594388 1076456130 /nfs/dbraw/zinc/45/61/30/1076456130.db2.gz NLICWYOOUWCHKM-JTQLQIEISA-N -1 3 303.341 2.480 20 30 DEEDHM C=CCCOCC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588616080 1076457593 /nfs/dbraw/zinc/45/75/93/1076457593.db2.gz UVVWTEDESVFCBP-UHFFFAOYSA-N -1 3 313.361 2.275 20 30 DEEDHM C=CCCOCC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001588616080 1076457597 /nfs/dbraw/zinc/45/75/97/1076457597.db2.gz UVVWTEDESVFCBP-UHFFFAOYSA-N -1 3 313.361 2.275 20 30 DEEDHM C=CCN(CCC#N)C(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588631611 1076458180 /nfs/dbraw/zinc/45/81/80/1076458180.db2.gz IVZPSCVYTGCMGF-UHFFFAOYSA-N -1 3 324.388 2.073 20 30 DEEDHM C=CCN(CCC#N)C(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588631611 1076458182 /nfs/dbraw/zinc/45/81/82/1076458182.db2.gz IVZPSCVYTGCMGF-UHFFFAOYSA-N -1 3 324.388 2.073 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCCC ZINC001588641758 1076459708 /nfs/dbraw/zinc/45/97/08/1076459708.db2.gz MOWNLHXDYAVEOM-UHFFFAOYSA-N -1 3 314.393 2.364 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCCC ZINC001588641758 1076459713 /nfs/dbraw/zinc/45/97/13/1076459713.db2.gz MOWNLHXDYAVEOM-UHFFFAOYSA-N -1 3 314.393 2.364 20 30 DEEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)cc1F)[C@H](C)COC ZINC001588635556 1076460045 /nfs/dbraw/zinc/46/00/45/1076460045.db2.gz NQFQCXQLSPVLPY-LLVKDONJSA-N -1 3 305.357 2.029 20 30 DEEDHM CC#CCCNC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588745680 1076462129 /nfs/dbraw/zinc/46/21/29/1076462129.db2.gz AVOBSTHACSDLDR-UHFFFAOYSA-N -1 3 310.361 2.279 20 30 DEEDHM CC#CCCNC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588745680 1076462131 /nfs/dbraw/zinc/46/21/31/1076462131.db2.gz AVOBSTHACSDLDR-UHFFFAOYSA-N -1 3 310.361 2.279 20 30 DEEDHM CC(=NN[C@@H]1CCOC(C)(C)C1)c1cccc(-c2nnn[n-]2)c1 ZINC001588776514 1076463997 /nfs/dbraw/zinc/46/39/97/1076463997.db2.gz PWLAHLSMWCJBAJ-CQSZACIVSA-N -1 3 314.393 2.138 20 30 DEEDHM CC(=NN[C@@H]1CCOC(C)(C)C1)c1cccc(-c2nn[n-]n2)c1 ZINC001588776514 1076464000 /nfs/dbraw/zinc/46/40/00/1076464000.db2.gz PWLAHLSMWCJBAJ-CQSZACIVSA-N -1 3 314.393 2.138 20 30 DEEDHM CC(C)(CC#N)CNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001589266790 1076482596 /nfs/dbraw/zinc/48/25/96/1076482596.db2.gz AIZXTRHSVKSFLH-UHFFFAOYSA-N -1 3 315.406 2.093 20 30 DEEDHM CC(C)(CC#N)CNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001589266790 1076482597 /nfs/dbraw/zinc/48/25/97/1076482597.db2.gz AIZXTRHSVKSFLH-UHFFFAOYSA-N -1 3 315.406 2.093 20 30 DEEDHM CC(C)N(CCC#N)C(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001589681857 1076505532 /nfs/dbraw/zinc/50/55/32/1076505532.db2.gz AQEHALCNROXYIQ-UHFFFAOYSA-N -1 3 323.360 2.112 20 30 DEEDHM CC(C)N(CCC#N)C(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001589681857 1076505536 /nfs/dbraw/zinc/50/55/36/1076505536.db2.gz AQEHALCNROXYIQ-UHFFFAOYSA-N -1 3 323.360 2.112 20 30 DEEDHM C[C@@H](CC#N)C(=O)N(c1ccccc1-c1nnn[n-]1)C1CCC1 ZINC001589786013 1076514908 /nfs/dbraw/zinc/51/49/08/1076514908.db2.gz CAIUYSQGYCWMDZ-NSHDSACASA-N -1 3 310.361 2.302 20 30 DEEDHM C[C@@H](CC#N)C(=O)N(c1ccccc1-c1nn[n-]n1)C1CCC1 ZINC001589786013 1076514911 /nfs/dbraw/zinc/51/49/11/1076514911.db2.gz CAIUYSQGYCWMDZ-NSHDSACASA-N -1 3 310.361 2.302 20 30 DEEDHM C[C@H](NCc1ccc(C#N)cn1)c1ccc(-c2nnn[n-]2)cc1F ZINC001589970662 1076541167 /nfs/dbraw/zinc/54/11/67/1076541167.db2.gz NFRGCAYVWVFQCL-JTQLQIEISA-N -1 3 323.335 2.123 20 30 DEEDHM C[C@H](NCc1ccc(C#N)cn1)c1ccc(-c2nn[n-]n2)cc1F ZINC001589970662 1076541171 /nfs/dbraw/zinc/54/11/71/1076541171.db2.gz NFRGCAYVWVFQCL-JTQLQIEISA-N -1 3 323.335 2.123 20 30 DEEDHM CC1CN(c2nc3c(c(-c4nnn[n-]4)c2C#N)CCCCCC3)C1 ZINC001590315111 1076610403 /nfs/dbraw/zinc/61/04/03/1076610403.db2.gz DVGVQCZWADKIPP-UHFFFAOYSA-N -1 3 323.404 2.248 20 30 DEEDHM CC1CN(c2nc3c(c(-c4nn[n-]n4)c2C#N)CCCCCC3)C1 ZINC001590315111 1076610404 /nfs/dbraw/zinc/61/04/04/1076610404.db2.gz DVGVQCZWADKIPP-UHFFFAOYSA-N -1 3 323.404 2.248 20 30 DEEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001590372539 1076616682 /nfs/dbraw/zinc/61/66/82/1076616682.db2.gz WKTFELCAJLEOQO-ZDUSSCGKSA-N -1 3 304.741 2.398 20 30 DEEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001590372539 1076616685 /nfs/dbraw/zinc/61/66/85/1076616685.db2.gz WKTFELCAJLEOQO-ZDUSSCGKSA-N -1 3 304.741 2.398 20 30 DEEDHM CCC(C)(C)N(CCC#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590378024 1076617212 /nfs/dbraw/zinc/61/72/12/1076617212.db2.gz VJQIJSTZLCEVJT-UHFFFAOYSA-N -1 3 312.377 2.411 20 30 DEEDHM CCC(C)(C)N(CCC#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590378024 1076617214 /nfs/dbraw/zinc/61/72/14/1076617214.db2.gz VJQIJSTZLCEVJT-UHFFFAOYSA-N -1 3 312.377 2.411 20 30 DEEDHM CC[C@H](CC#N)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001590420258 1076625765 /nfs/dbraw/zinc/62/57/65/1076625765.db2.gz VJKADDHJFUNJDL-SECBINFHSA-N -1 3 319.756 2.334 20 30 DEEDHM CC[C@H](CC#N)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001590420258 1076625766 /nfs/dbraw/zinc/62/57/66/1076625766.db2.gz VJKADDHJFUNJDL-SECBINFHSA-N -1 3 319.756 2.334 20 30 DEEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CCCCC#N ZINC001590746418 1076673724 /nfs/dbraw/zinc/67/37/24/1076673724.db2.gz CHFBSQZNPUGCTR-UHFFFAOYSA-N -1 3 313.365 2.321 20 30 DEEDHM CCc1c(C)sc(NC(=O)[C@H](C)CC#N)c1-c1nnn[n-]1 ZINC001590873620 1076687287 /nfs/dbraw/zinc/68/72/87/1076687287.db2.gz HXPIMKPYISDHCE-SSDOTTSWSA-N -1 3 304.379 2.287 20 30 DEEDHM CCc1c(C)sc(NC(=O)[C@H](C)CC#N)c1-c1nn[n-]n1 ZINC001590873620 1076687289 /nfs/dbraw/zinc/68/72/89/1076687289.db2.gz HXPIMKPYISDHCE-SSDOTTSWSA-N -1 3 304.379 2.287 20 30 DEEDHM CN(C(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1C#N ZINC001590994465 1076701483 /nfs/dbraw/zinc/70/14/83/1076701483.db2.gz PFQUELHOVZBJMQ-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM CN(C(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1C#N ZINC001590994465 1076701487 /nfs/dbraw/zinc/70/14/87/1076701487.db2.gz 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ZINC001591341548 1076729303 /nfs/dbraw/zinc/72/93/03/1076729303.db2.gz ZQBMMRJTGQDIGA-UHFFFAOYSA-N -1 3 301.354 2.009 20 30 DEEDHM COc1cc(OCc2ccc(C#N)cc2)cc(-c2nnn[n-]2)c1 ZINC001591552765 1076757687 /nfs/dbraw/zinc/75/76/87/1076757687.db2.gz JZJXHWVAIKZGOW-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM COc1cc(OCc2ccc(C#N)cc2)cc(-c2nn[n-]n2)c1 ZINC001591552765 1076757691 /nfs/dbraw/zinc/75/76/91/1076757691.db2.gz JZJXHWVAIKZGOW-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NCC1CCC(C#N)CC1 ZINC001591862524 1076798138 /nfs/dbraw/zinc/79/81/38/1076798138.db2.gz XPKNNQMDJCKBHH-UHFFFAOYSA-N -1 3 324.388 2.235 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NCC1CCC(C#N)CC1 ZINC001591862524 1076798142 /nfs/dbraw/zinc/79/81/42/1076798142.db2.gz XPKNNQMDJCKBHH-UHFFFAOYSA-N -1 3 324.388 2.235 20 30 DEEDHM Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC001592129785 1076854314 /nfs/dbraw/zinc/85/43/14/1076854314.db2.gz AVOJXMIZOMHNLS-UHFFFAOYSA-N -1 3 304.313 2.299 20 30 DEEDHM 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C=CCCCCCOC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609053388 1077749320 /nfs/dbraw/zinc/74/93/20/1077749320.db2.gz HWHSVTQSMMLWHY-CQSZACIVSA-N -1 3 316.361 2.190 20 30 DEEDHM C=CCCCCCOC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001609053388 1077749322 /nfs/dbraw/zinc/74/93/22/1077749322.db2.gz HWHSVTQSMMLWHY-CQSZACIVSA-N -1 3 316.361 2.190 20 30 DEEDHM C=CCC1(C(=O)Nc2n[nH]c(C)c2-c2nnn[n-]2)CCCCC1 ZINC001609053325 1077749712 /nfs/dbraw/zinc/74/97/12/1077749712.db2.gz IKTAHWPJNVDCFG-UHFFFAOYSA-N -1 3 315.381 2.363 20 30 DEEDHM C=C[C@@H](C)NC(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609052608 1077750271 /nfs/dbraw/zinc/75/02/71/1077750271.db2.gz JSCFSVJRAHKKLF-MNOVXSKESA-N -1 3 300.366 2.144 20 30 DEEDHM C=C[C@@H](C)NC(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609052608 1077750276 /nfs/dbraw/zinc/75/02/76/1077750276.db2.gz JSCFSVJRAHKKLF-MNOVXSKESA-N -1 3 300.366 2.144 20 30 DEEDHM C=CCC(C)(C)c1noc(-c2ncc(-c3nnn[n-]3)cc2C)n1 ZINC001609052865 1077750292 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CCn1ccc(CN(C)c2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001609258693 1077819156 /nfs/dbraw/zinc/81/91/56/1077819156.db2.gz QIVRUEVMWVFXGU-UHFFFAOYSA-N -1 3 307.361 2.196 20 30 DEEDHM CCn1ccc(CN(C)c2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001609258693 1077819166 /nfs/dbraw/zinc/81/91/66/1077819166.db2.gz QIVRUEVMWVFXGU-UHFFFAOYSA-N -1 3 307.361 2.196 20 30 DEEDHM COCc1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001609330344 1077835862 /nfs/dbraw/zinc/83/58/62/1077835862.db2.gz FBCDUQWMVRHIFS-UHFFFAOYSA-N -1 3 320.356 2.497 20 30 DEEDHM COCc1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001609330344 1077835864 /nfs/dbraw/zinc/83/58/64/1077835864.db2.gz FBCDUQWMVRHIFS-UHFFFAOYSA-N -1 3 320.356 2.497 20 30 DEEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)ccc1O ZINC001609341550 1077836745 /nfs/dbraw/zinc/83/67/45/1077836745.db2.gz XFUPAJAQJJTGIU-UHFFFAOYSA-N -1 3 310.317 2.027 20 30 DEEDHM Cc1cc(C#N)nc(Oc2cc(Cl)ccc2-c2nnn[n-]2)n1 ZINC001609393181 1077849277 /nfs/dbraw/zinc/84/92/77/1077849277.db2.gz FHHAHFQXUILTIR-UHFFFAOYSA-N -1 3 313.708 2.283 20 30 DEEDHM Cc1cc(C#N)nc(Oc2cc(Cl)ccc2-c2nn[n-]n2)n1 ZINC001609393181 1077849279 /nfs/dbraw/zinc/84/92/79/1077849279.db2.gz FHHAHFQXUILTIR-UHFFFAOYSA-N -1 3 313.708 2.283 20 30 DEEDHM N#Cc1cccc(OCCOc2ccccc2-c2nnn[n-]2)c1 ZINC001609500444 1077872251 /nfs/dbraw/zinc/87/22/51/1077872251.db2.gz ZXZCZWNMIGGWDE-UHFFFAOYSA-N -1 3 307.313 2.196 20 30 DEEDHM N#Cc1cccc(OCCOc2ccccc2-c2nn[n-]n2)c1 ZINC001609500444 1077872254 /nfs/dbraw/zinc/87/22/54/1077872254.db2.gz ZXZCZWNMIGGWDE-UHFFFAOYSA-N -1 3 307.313 2.196 20 30 DEEDHM N#Cc1cc([N+](=O)[O-])ccc1N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001651383830 1079806328 /nfs/dbraw/zinc/80/63/28/1079806328.db2.gz PDQWWSMATPUSMX-UHFFFAOYSA-N -1 3 323.312 2.360 20 30 DEEDHM Cc1ccn(Cc2cc(=O)[n-]c(-c3ccccc3)n2)c(=O)c1C#N ZINC001652765267 1079896003 /nfs/dbraw/zinc/89/60/03/1079896003.db2.gz OBYAPOVFCBPUDD-UHFFFAOYSA-N -1 3 318.336 2.239 20 30 DEEDHM N#CCc1ccccc1CC(=O)[N-]OCCOc1ccccc1 ZINC001653648192 1079936156 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N#Cc1cccc2c1CCN2C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001581875492 1076107028 /nfs/dbraw/zinc/10/70/28/1076107028.db2.gz ABQKRKXGRCCIGG-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM N#Cc1ccc2c(c1)CCN2C(=O)c1sccc1-c1nnn[n-]1 ZINC001581874497 1076107035 /nfs/dbraw/zinc/10/70/35/1076107035.db2.gz UJMWCLMDTPYQRU-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM N#Cc1ccc2c(c1)CCN2C(=O)c1sccc1-c1nn[n-]n1 ZINC001581874497 1076107037 /nfs/dbraw/zinc/10/70/37/1076107037.db2.gz UJMWCLMDTPYQRU-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM C#C[C@@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC001588325489 1076439891 /nfs/dbraw/zinc/43/98/91/1076439891.db2.gz MHZCCXRIAUUQLN-SECBINFHSA-N -1 3 320.194 2.083 20 30 DEEDHM C#C[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC001588325489 1076439893 /nfs/dbraw/zinc/43/98/93/1076439893.db2.gz MHZCCXRIAUUQLN-SECBINFHSA-N -1 3 320.194 2.083 20 30 DEEDHM C#C[C@](C)(CC)NC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001588325885 1076440045 /nfs/dbraw/zinc/44/00/45/1076440045.db2.gz 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DEEDHM C=CC(C)(C)c1nnc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001588489142 1076450309 /nfs/dbraw/zinc/45/03/09/1076450309.db2.gz XDLQNCIYBQGSAN-UHFFFAOYSA-N -1 3 312.333 2.292 20 30 DEEDHM C=CC(C)(C)c1nnc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001588489142 1076450312 /nfs/dbraw/zinc/45/03/12/1076450312.db2.gz XDLQNCIYBQGSAN-UHFFFAOYSA-N -1 3 312.333 2.292 20 30 DEEDHM C=CC(C)(C)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588488998 1076450463 /nfs/dbraw/zinc/45/04/63/1076450463.db2.gz UFFJTZVASANANT-UHFFFAOYSA-N -1 3 316.365 2.209 20 30 DEEDHM C=CC(C)(C)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588488998 1076450464 /nfs/dbraw/zinc/45/04/64/1076450464.db2.gz UFFJTZVASANANT-UHFFFAOYSA-N -1 3 316.365 2.209 20 30 DEEDHM C=C[C@@H](CC)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588525021 1076451590 /nfs/dbraw/zinc/45/15/90/1076451590.db2.gz VFTBXJUXYCVTOA-JTQLQIEISA-N -1 3 303.341 2.224 20 30 DEEDHM C=C[C@@H](CC)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588525021 1076451594 /nfs/dbraw/zinc/45/15/94/1076451594.db2.gz 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ZINC001588563857 1076455109 /nfs/dbraw/zinc/45/51/09/1076455109.db2.gz CTSHHFYPXYGOLX-LLVKDONJSA-N -1 3 314.349 2.058 20 30 DEEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001588560939 1076455435 /nfs/dbraw/zinc/45/54/35/1076455435.db2.gz WFLLYQGYZZPBCV-LLVKDONJSA-N -1 3 315.352 2.434 20 30 DEEDHM C=CC[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001588560939 1076455443 /nfs/dbraw/zinc/45/54/43/1076455443.db2.gz WFLLYQGYZZPBCV-LLVKDONJSA-N -1 3 315.352 2.434 20 30 DEEDHM C=CCOc1ccc(CNCc2ccc(-c3nnn[n-]3)o2)cc1 ZINC001588689766 1076460436 /nfs/dbraw/zinc/46/04/36/1076460436.db2.gz MNLQXRMPIAYVLX-UHFFFAOYSA-N -1 3 311.345 2.314 20 30 DEEDHM CC#CCCCC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001588737650 1076461877 /nfs/dbraw/zinc/46/18/77/1076461877.db2.gz HHUJUZYNYKEDJF-UHFFFAOYSA-N -1 3 311.389 2.061 20 30 DEEDHM CC#CCCCC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001588737650 1076461878 /nfs/dbraw/zinc/46/18/78/1076461878.db2.gz HHUJUZYNYKEDJF-UHFFFAOYSA-N -1 3 311.389 2.061 20 30 DEEDHM C=C[C@@H]1OCCC[C@H]1Nc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC001588718238 1076461982 /nfs/dbraw/zinc/46/19/82/1076461982.db2.gz DDVBXAYCBMGMLT-MNOVXSKESA-N -1 3 320.784 2.369 20 30 DEEDHM C=C[C@@H]1OCCC[C@H]1Nc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC001588718238 1076461984 /nfs/dbraw/zinc/46/19/84/1076461984.db2.gz DDVBXAYCBMGMLT-MNOVXSKESA-N -1 3 320.784 2.369 20 30 DEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc(CC)cc1-c1nnn[n-]1 ZINC001588726283 1076462170 /nfs/dbraw/zinc/46/21/70/1076462170.db2.gz XRDHSSCNSIMGIM-KOLCDFICSA-N -1 3 319.390 2.020 20 30 DEEDHM C=C[C@@H]1OCC[C@H]1C(=O)Nc1sc(CC)cc1-c1nn[n-]n1 ZINC001588726283 1076462171 /nfs/dbraw/zinc/46/21/71/1076462171.db2.gz XRDHSSCNSIMGIM-KOLCDFICSA-N -1 3 319.390 2.020 20 30 DEEDHM CC(C)(C#N)CC(=O)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001589034279 1076471845 /nfs/dbraw/zinc/47/18/45/1076471845.db2.gz VZAMDSOODRHJET-UHFFFAOYSA-N -1 3 321.344 2.293 20 30 DEEDHM CC(C)(C#N)CC(=O)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001589034279 1076471847 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CC(C)OC1CCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001589739222 1076508420 /nfs/dbraw/zinc/50/84/20/1076508420.db2.gz GZJRUCQXRMAZFW-UHFFFAOYSA-N -1 3 312.377 2.132 20 30 DEEDHM CC(C)n1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cn1 ZINC001589781665 1076514941 /nfs/dbraw/zinc/51/49/41/1076514941.db2.gz BEZLVFCLOJRXDL-RZNTYIFUSA-N -1 3 320.356 2.467 20 30 DEEDHM CC(C)n1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cn1 ZINC001589781665 1076514946 /nfs/dbraw/zinc/51/49/46/1076514946.db2.gz BEZLVFCLOJRXDL-RZNTYIFUSA-N -1 3 320.356 2.467 20 30 DEEDHM C[C@H](Nc1ncc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001589989434 1076543199 /nfs/dbraw/zinc/54/31/99/1076543199.db2.gz VMLZCZIIACCOLM-VIFPVBQESA-N -1 3 309.308 2.446 20 30 DEEDHM C[C@H](Nc1ncc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001589989434 1076543200 /nfs/dbraw/zinc/54/32/00/1076543200.db2.gz VMLZCZIIACCOLM-VIFPVBQESA-N -1 3 309.308 2.446 20 30 DEEDHM CC[C@](C)(C#N)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001590372650 1076616369 /nfs/dbraw/zinc/61/63/69/1076616369.db2.gz 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CC[C@H](CC#N)OC(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001590419645 1076625790 /nfs/dbraw/zinc/62/57/90/1076625790.db2.gz NZWHZBSTNFQCAE-CYBMUJFWSA-N -1 3 313.361 2.262 20 30 DEEDHM CC[C@H](CC#N)OC(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001590419645 1076625792 /nfs/dbraw/zinc/62/57/92/1076625792.db2.gz NZWHZBSTNFQCAE-CYBMUJFWSA-N -1 3 313.361 2.262 20 30 DEEDHM CN(Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@H]1CCC[C@H]1C#N ZINC001591133994 1076711126 /nfs/dbraw/zinc/71/11/26/1076711126.db2.gz MZFIUNJFPLPIGX-FZMZJTMJSA-N -1 3 300.341 2.130 20 30 DEEDHM CN(Cc1ccc(-c2nn[n-]n2)c(F)c1)[C@H]1CCC[C@H]1C#N ZINC001591133994 1076711129 /nfs/dbraw/zinc/71/11/29/1076711129.db2.gz MZFIUNJFPLPIGX-FZMZJTMJSA-N -1 3 300.341 2.130 20 30 DEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCC[C@H]1C#N ZINC001591137054 1076712201 /nfs/dbraw/zinc/71/22/01/1076712201.db2.gz PMPGMCUOFGMLEW-SMDDNHRTSA-N -1 3 300.341 2.130 20 30 DEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1F)[C@@H]1CCC[C@H]1C#N ZINC001591137054 1076712205 /nfs/dbraw/zinc/71/22/05/1076712205.db2.gz PMPGMCUOFGMLEW-SMDDNHRTSA-N -1 3 300.341 2.130 20 30 DEEDHM CO[C@@]1(C)CCCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001591337794 1076726080 /nfs/dbraw/zinc/72/60/80/1076726080.db2.gz AZUNVPADLUNVCN-INIZCTEOSA-N -1 3 312.377 2.134 20 30 DEEDHM CO[C@@]1(C)CCCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001591337794 1076726082 /nfs/dbraw/zinc/72/60/82/1076726082.db2.gz AZUNVPADLUNVCN-INIZCTEOSA-N -1 3 312.377 2.134 20 30 DEEDHM COc1cc(-c2nn[n-]n2)ccc1NCc1ccc(C#N)cc1F ZINC001591495845 1076751712 /nfs/dbraw/zinc/75/17/12/1076751712.db2.gz SHBLUTJXORNPMJ-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1cc(CN=Cc2ccccc2O)ccc1-c1nnn[n-]1 ZINC001591527068 1076753591 /nfs/dbraw/zinc/75/35/91/1076753591.db2.gz GPJFHVAKYOSGRL-YVLHZVERSA-N -1 3 309.329 2.200 20 30 DEEDHM COc1cc(CN=Cc2ccccc2O)ccc1-c1nn[n-]n1 ZINC001591527068 1076753595 /nfs/dbraw/zinc/75/35/95/1076753595.db2.gz GPJFHVAKYOSGRL-YVLHZVERSA-N -1 3 309.329 2.200 20 30 DEEDHM COc1cc(CNc2cc(-c3nnn[n-]3)cc(C)n2)ccc1C#N ZINC001591538063 1076754886 /nfs/dbraw/zinc/75/48/86/1076754886.db2.gz IWKLMRHGORRVML-UHFFFAOYSA-N -1 3 321.344 2.063 20 30 DEEDHM COc1cc(CNc2cc(-c3nn[n-]n3)cc(C)n2)ccc1C#N ZINC001591538063 1076754890 /nfs/dbraw/zinc/75/48/90/1076754890.db2.gz IWKLMRHGORRVML-UHFFFAOYSA-N -1 3 321.344 2.063 20 30 DEEDHM COc1ccc(C=Cc2cc(-c3nnn[n-]3)ccn2)cc1C#N ZINC001591582479 1076761331 /nfs/dbraw/zinc/76/13/31/1076761331.db2.gz ADQPLWAUYGPJFK-DUXPYHPUSA-N -1 3 304.313 2.312 20 30 DEEDHM COc1ccc(C=Cc2cc(-c3nn[n-]n3)ccn2)cc1C#N ZINC001591582479 1076761336 /nfs/dbraw/zinc/76/13/36/1076761336.db2.gz ADQPLWAUYGPJFK-DUXPYHPUSA-N -1 3 304.313 2.312 20 30 DEEDHM COc1ccc(O)c(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591618143 1076765725 /nfs/dbraw/zinc/76/57/25/1076765725.db2.gz FPYDZJUNICPOJZ-UHFFFAOYSA-N -1 3 310.317 2.027 20 30 DEEDHM COc1cccc(C=NNc2cccc(-c3nnn[n-]3)c2)c1F ZINC001591635169 1076767105 /nfs/dbraw/zinc/76/71/05/1076767105.db2.gz SKIMMXFWLBSOFJ-UHFFFAOYSA-N -1 3 312.308 2.460 20 30 DEEDHM COc1cccc(C=NNc2cccc(-c3nn[n-]n3)c2)c1F ZINC001591635169 1076767107 /nfs/dbraw/zinc/76/71/07/1076767107.db2.gz SKIMMXFWLBSOFJ-UHFFFAOYSA-N -1 3 312.308 2.460 20 30 DEEDHM COc1ccccc1CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001591648192 1076768550 /nfs/dbraw/zinc/76/85/50/1076768550.db2.gz GKFPWEJXIWVBEP-UHFFFAOYSA-N -1 3 320.356 2.402 20 30 DEEDHM COc1ccccc1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001591648192 1076768552 /nfs/dbraw/zinc/76/85/52/1076768552.db2.gz GKFPWEJXIWVBEP-UHFFFAOYSA-N -1 3 320.356 2.402 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=NOCCOC(C)C ZINC001591841214 1076791358 /nfs/dbraw/zinc/79/13/58/1076791358.db2.gz SFIARJGFOWPJPC-UHFFFAOYSA-N -1 3 303.366 2.259 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=NOCCOC(C)C ZINC001591841214 1076791369 /nfs/dbraw/zinc/79/13/69/1076791369.db2.gz SFIARJGFOWPJPC-UHFFFAOYSA-N -1 3 303.366 2.259 20 30 DEEDHM Cc1cc(Br)c(NCCC#N)c(-c2nnn[n-]2)c1 ZINC001591905390 1076805190 /nfs/dbraw/zinc/80/51/90/1076805190.db2.gz 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N#CC1(CNc2cccc(-n3cccn3)c2-c2nn[n-]n2)CCC1 ZINC001592669967 1076949377 /nfs/dbraw/zinc/94/93/77/1076949377.db2.gz PSSJROGBNJZUMM-UHFFFAOYSA-N -1 3 320.360 2.158 20 30 DEEDHM N#CC1(CNc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CCC1 ZINC001592668966 1076949609 /nfs/dbraw/zinc/94/96/09/1076949609.db2.gz CKIRAQMXUALWTO-UHFFFAOYSA-N -1 3 320.360 2.158 20 30 DEEDHM N#CC1(CNCc2csc(-c3nnn[n-]3)c2)CCCCC1 ZINC001592669495 1076949855 /nfs/dbraw/zinc/94/98/55/1076949855.db2.gz JSFWTDCBVRPPPR-UHFFFAOYSA-N -1 3 302.407 2.492 20 30 DEEDHM N#CC1(CNCc2csc(-c3nn[n-]n3)c2)CCCCC1 ZINC001592669495 1076949859 /nfs/dbraw/zinc/94/98/59/1076949859.db2.gz JSFWTDCBVRPPPR-UHFFFAOYSA-N -1 3 302.407 2.492 20 30 DEEDHM N#CCCCOc1cccc(Nc2ccncc2-c2nnn[n-]2)c1 ZINC001592676407 1076952139 /nfs/dbraw/zinc/95/21/39/1076952139.db2.gz NPNRJKBWVIXIBI-UHFFFAOYSA-N -1 3 321.344 2.110 20 30 DEEDHM N#CCCCOc1cccc(Nc2ccncc2-c2nn[n-]n2)c1 ZINC001592676407 1076952142 /nfs/dbraw/zinc/95/21/42/1076952142.db2.gz NPNRJKBWVIXIBI-UHFFFAOYSA-N -1 3 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N#Cc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001592701231 1076955590 /nfs/dbraw/zinc/95/55/90/1076955590.db2.gz CJJZUFAEIGOVRI-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1cscn1 ZINC001592794450 1076960430 /nfs/dbraw/zinc/96/04/30/1076960430.db2.gz NTZOLEYRPQQCCH-PLNGDYQASA-N -1 3 301.306 2.358 20 30 DEEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1cscn1 ZINC001592794450 1076960434 /nfs/dbraw/zinc/96/04/34/1076960434.db2.gz NTZOLEYRPQQCCH-PLNGDYQASA-N -1 3 301.306 2.358 20 30 DEEDHM Cc1c(C(=O)[O-])cc(CNCc2cccc(OCC#N)c2)n1C ZINC001599993680 1077120314 /nfs/dbraw/zinc/12/03/14/1077120314.db2.gz CJORFMAUBLWUAG-UHFFFAOYSA-N -1 3 313.357 2.224 20 30 DEEDHM Cc1sc(NC(=O)CNC2(CC(=O)[O-])CCC2)c(C#N)c1C ZINC001600886664 1077296457 /nfs/dbraw/zinc/29/64/57/1077296457.db2.gz BLOCRHVRLXNLEA-UHFFFAOYSA-N -1 3 321.402 2.162 20 30 DEEDHM N#Cc1ccc([C@H](NC[C@]23OCCC[C@H]2C3(F)F)C(=O)[O-])cc1 ZINC001601096988 1077338325 /nfs/dbraw/zinc/33/83/25/1077338325.db2.gz 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ZINC001609080406 1077755781 /nfs/dbraw/zinc/75/57/81/1077755781.db2.gz DLQMEPJESADFMC-UHFFFAOYSA-N -1 3 311.393 2.299 20 30 DEEDHM CC(C)(C)c1ccc(-c2nn[n-]n2)c(N2CCC(C#N)CC2)n1 ZINC001609080406 1077755785 /nfs/dbraw/zinc/75/57/85/1077755785.db2.gz DLQMEPJESADFMC-UHFFFAOYSA-N -1 3 311.393 2.299 20 30 DEEDHM CC(C)c1noc([C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001609106995 1077762772 /nfs/dbraw/zinc/76/27/72/1077762772.db2.gz KSLBIUXURFQSEA-LBPRGKRZSA-N -1 3 309.333 2.223 20 30 DEEDHM CC(C)c1noc([C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001609106995 1077762777 /nfs/dbraw/zinc/76/27/77/1077762777.db2.gz KSLBIUXURFQSEA-LBPRGKRZSA-N -1 3 309.333 2.223 20 30 DEEDHM CN(Cc1cccc(C#N)c1)C(=O)c1sccc1-c1nnn[n-]1 ZINC001609280156 1077825640 /nfs/dbraw/zinc/82/56/40/1077825640.db2.gz DAQQEEFRKVPGJX-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM CN(Cc1cccc(C#N)c1)C(=O)c1sccc1-c1nn[n-]n1 ZINC001609280156 1077825645 /nfs/dbraw/zinc/82/56/45/1077825645.db2.gz DAQQEEFRKVPGJX-UHFFFAOYSA-N -1 3 324.369 2.072 20 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CCOC(=O)c1cc(C#N)c(NC(=O)NCC2CC2)c(C)c1[O-] ZINC001186613809 796421538 /nfs/dbraw/zinc/42/15/38/796421538.db2.gz RIEHRRZGCFQYOZ-UHFFFAOYSA-N -1 3 317.345 2.281 20 30 DEEDHM N#Cc1cc(NC(=O)CN2CCc3sccc3C2)ccc1[O-] ZINC001142223101 796726003 /nfs/dbraw/zinc/72/60/03/796726003.db2.gz APMMIBMSEFBKNN-UHFFFAOYSA-N -1 3 313.382 2.322 20 30 DEEDHM C#CCCC1(CCNC(=O)c2c([O-])cc(OC)cc2OC)N=N1 ZINC001190148452 796939385 /nfs/dbraw/zinc/93/93/85/796939385.db2.gz KKMWRUVYUKHMFZ-UHFFFAOYSA-N -1 3 317.345 2.105 20 30 DEEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]CC2(C#N)CCCC2)c1 ZINC001190657734 797051831 /nfs/dbraw/zinc/05/18/31/797051831.db2.gz JJHKUYUQFZDPHX-UHFFFAOYSA-N -1 3 307.350 2.060 20 30 DEEDHM C=CCC1(S(=O)(=O)[N-]c2ccc(F)cc2OCCO)CC1 ZINC001190815038 797083121 /nfs/dbraw/zinc/08/31/21/797083121.db2.gz WKAXUWIBEHUSPZ-UHFFFAOYSA-N -1 3 315.366 2.047 20 30 DEEDHM N#Cc1cc(NC(=O)c2n[nH]cc2-c2ccccn2)ccc1[O-] ZINC001191493958 797208952 /nfs/dbraw/zinc/20/89/52/797208952.db2.gz KNFDYOMTSBNOQF-UHFFFAOYSA-N -1 3 305.297 2.301 20 30 DEEDHM C#C[C@@H](C)NC(=O)c1c[n-]c2cc(Br)ccc2c1=O ZINC001153882051 797416229 /nfs/dbraw/zinc/41/62/29/797416229.db2.gz YNYXWVYDBOEAJG-MRVPVSSYSA-N -1 3 319.158 2.042 20 30 DEEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)CC#N)c1Cl ZINC001192986341 797479556 /nfs/dbraw/zinc/47/95/56/797479556.db2.gz YNLZGAHAAZCNFI-UHFFFAOYSA-N -1 3 323.157 2.045 20 30 DEEDHM CNc1ccc(C#N)cc1NC(=O)c1cc([O-])c(O)c(OC)c1 ZINC001193104823 797503052 /nfs/dbraw/zinc/50/30/52/797503052.db2.gz SOHKPLSDWXHRAK-UHFFFAOYSA-N -1 3 313.313 2.272 20 30 DEEDHM N#C[C@H](NC(=O)c1ccc2c(=O)[nH][n-]c(=O)c2c1)c1ccccc1 ZINC001154309951 797509262 /nfs/dbraw/zinc/50/92/62/797509262.db2.gz BVYFXBVJAGLTAI-AWEZNQCLSA-N -1 3 320.308 2.036 20 30 DEEDHM N#C[C@H](NC(=O)c1ccc2c(=O)[n-][nH]c(=O)c2c1)c1ccccc1 ZINC001154309951 797509264 /nfs/dbraw/zinc/50/92/64/797509264.db2.gz BVYFXBVJAGLTAI-AWEZNQCLSA-N -1 3 320.308 2.036 20 30 DEEDHM Cc1cc(C#N)cc(Cl)c1[N-]S(=O)(=O)C[C@@H]1CCCO1 ZINC001193264711 797533618 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CC(C)C[C@@](C)(C#N)[N-]S(=O)(=O)c1cccc(Cl)n1 ZINC001198262567 798299108 /nfs/dbraw/zinc/29/91/08/798299108.db2.gz BBMARYZHTHHVMT-LBPRGKRZSA-N -1 3 301.799 2.342 20 30 DEEDHM Cc1noc([N-]C(=O)c2cccnc2OC(F)(F)F)c1C#N ZINC001199373177 798476694 /nfs/dbraw/zinc/47/66/94/798476694.db2.gz UYWKTCPSTQFUEH-UHFFFAOYSA-N -1 3 312.207 2.401 20 30 DEEDHM Cc1noc([N-]C(=O)c2cnc(F)c(OC(C)C)c2)c1C#N ZINC001199717183 798525688 /nfs/dbraw/zinc/52/56/88/798525688.db2.gz GREAFBCRPUKHMD-UHFFFAOYSA-N -1 3 304.281 2.428 20 30 DEEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(Cl)nc2c(F)cccc12 ZINC001160174674 798658117 /nfs/dbraw/zinc/65/81/17/798658117.db2.gz IOBYOQYTSKZWPS-RCOVLWMOSA-N -1 3 310.716 2.070 20 30 DEEDHM N#CC[C@@H](NC(=O)NCc1c([O-])cccc1F)C(F)(F)F ZINC000932889636 799961463 /nfs/dbraw/zinc/96/14/63/799961463.db2.gz GVZKUDLVAVSFFJ-SNVBAGLBSA-N -1 3 305.231 2.175 20 30 DEEDHM Cc1csc2[n-]c(=S)nc(OC3CN(CCC#N)C3)c12 ZINC001229354543 801262057 /nfs/dbraw/zinc/26/20/57/801262057.db2.gz YSVBYHIOZIDZFY-UHFFFAOYSA-N -1 3 306.416 2.265 20 30 DEEDHM N#Cc1cc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)CN2)ccc1[O-] ZINC001218954456 802264398 /nfs/dbraw/zinc/26/43/98/802264398.db2.gz MCIDPJMKPWJGJD-MWLCHTKSSA-N -1 3 313.279 2.133 20 30 DEEDHM COC[C@H](C)OC[C@H](C)OC[C@@H](C)Oc1cc([O-])cc(C#N)c1 ZINC001234139585 802308006 /nfs/dbraw/zinc/30/80/06/802308006.db2.gz IFZADLBCOKUVEY-MELADBBJSA-N -1 3 323.389 2.488 20 30 DEEDHM Cc1c([C@@H](C)Oc2[n-]c(=O)nc3cccc(C#N)c32)cnn1C ZINC001234511753 802397768 /nfs/dbraw/zinc/39/77/68/802397768.db2.gz VGXZXJSHDHCPBB-SNVBAGLBSA-N -1 3 309.329 2.389 20 30 DEEDHM COc1ccc2ccc([O-])c(CN3CCC(=O)[C@H](C#N)C3)c2c1 ZINC001234552999 802412556 /nfs/dbraw/zinc/41/25/56/802412556.db2.gz SBYIZONYGIAHMY-CYBMUJFWSA-N -1 3 310.353 2.469 20 30 DEEDHM C=CCCn1cc(CNC[C@H](CC(=O)[O-])C2CCCC2)nn1 ZINC001335466999 1150424853 /nfs/dbraw/zinc/42/48/53/1150424853.db2.gz WLIKRQMRWCBKTE-AWEZNQCLSA-N -1 3 306.410 2.225 20 30 DEEDHM C#CCN(Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)CC1CC1 ZINC001588432292 958277223 /nfs/dbraw/zinc/27/72/23/958277223.db2.gz JFLAFLKAKHUESV-OAHLLOKOSA-N -1 3 316.401 2.426 20 30 DEEDHM C=C(CCC(=O)[O-])C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1 ZINC001588622430 983723704 /nfs/dbraw/zinc/72/37/04/983723704.db2.gz XYRGBBYXALGFLN-CQSZACIVSA-N -1 3 324.808 2.480 20 30 DEEDHM C=CCCC[C@@H](N)C(=O)N[C@@H](CC(=O)[O-])c1cccc(C)c1 ZINC001588785625 984181505 /nfs/dbraw/zinc/18/15/05/984181505.db2.gz JPEQOLIHMSDAMO-CABCVRRESA-N -1 3 304.390 2.311 20 30 DEEDHM C=CCCC[C@H](N)C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001588786524 984183656 /nfs/dbraw/zinc/18/36/56/984183656.db2.gz PIFDKVCMUGWCSG-VHDGCEQUSA-N -1 3 304.390 2.248 20 30 DEEDHM COc1cc(C#N)ccc1CN1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC001599348506 998052213 /nfs/dbraw/zinc/05/22/13/998052213.db2.gz ZHKFRLUMOAKIFE-CQSZACIVSA-N -1 3 300.358 2.254 20 30 DEEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1C#N ZINC001599571551 998373002 /nfs/dbraw/zinc/37/30/02/998373002.db2.gz FIVJIZZTIADZDF-QGZVFWFLSA-N -1 3 321.336 2.354 20 30 DEEDHM C#C[C@H](C)Nc1nc2c(c(-c3nnn[n-]3)c1C#N)CCCCCC2 ZINC001602689852 1069724417 /nfs/dbraw/zinc/72/44/17/1069724417.db2.gz NBOIIMTYUKAUPT-NSHDSACASA-N -1 3 321.388 2.226 20 30 DEEDHM C#C[C@H](C)Nc1nc2c(c(-c3nn[n-]n3)c1C#N)CCCCCC2 ZINC001602689852 1069724426 /nfs/dbraw/zinc/72/44/26/1069724426.db2.gz NBOIIMTYUKAUPT-NSHDSACASA-N -1 3 321.388 2.226 20 30 DEEDHM C#CC[C@@H](CCOC)Nc1c(Cl)cccc1-c1nnn[n-]1 ZINC001602696718 1069730854 /nfs/dbraw/zinc/73/08/54/1069730854.db2.gz DTAKTSZXGJSICK-JTQLQIEISA-N -1 3 305.769 2.360 20 30 DEEDHM C#CC[C@@H](CCOC)Nc1c(Cl)cccc1-c1nn[n-]n1 ZINC001602696718 1069730857 /nfs/dbraw/zinc/73/08/57/1069730857.db2.gz DTAKTSZXGJSICK-JTQLQIEISA-N -1 3 305.769 2.360 20 30 DEEDHM C=C[C@](C)(CC)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001602790394 1069756738 /nfs/dbraw/zinc/75/67/38/1069756738.db2.gz LFDQQBDUAJXWHC-OAHLLOKOSA-N -1 3 303.341 2.224 20 30 DEEDHM C=C[C@](C)(CC)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001602790394 1069756742 /nfs/dbraw/zinc/75/67/42/1069756742.db2.gz LFDQQBDUAJXWHC-OAHLLOKOSA-N -1 3 303.341 2.224 20 30 DEEDHM C=C[C@@H](C)NC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602798676 1069757038 /nfs/dbraw/zinc/75/70/38/1069757038.db2.gz QTVLAJMDALKWBX-GFCCVEGCSA-N -1 3 311.389 2.369 20 30 DEEDHM C=C[C@@H](C)NC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602798676 1069757052 /nfs/dbraw/zinc/75/70/52/1069757052.db2.gz QTVLAJMDALKWBX-GFCCVEGCSA-N -1 3 311.389 2.369 20 30 DEEDHM C=C[C@](C)(CC)COC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001602794386 1069757158 /nfs/dbraw/zinc/75/71/58/1069757158.db2.gz LAAFVVZTUDGBSI-MRXNPFEDSA-N -1 3 316.361 2.391 20 30 DEEDHM C=CCC(F)(F)C(=O)OCc1ccc(-c2nnn[n-]2)cc1C ZINC001602817134 1069765616 /nfs/dbraw/zinc/76/56/16/1069765616.db2.gz ZVQDSIPFGTWVNV-UHFFFAOYSA-N -1 3 308.288 2.430 20 30 DEEDHM C=CCC(F)(F)C(=O)OCc1ccc(-c2nn[n-]n2)cc1C ZINC001602817134 1069765622 /nfs/dbraw/zinc/76/56/22/1069765622.db2.gz ZVQDSIPFGTWVNV-UHFFFAOYSA-N -1 3 308.288 2.430 20 30 DEEDHM C=CCN1CC[C@H](Sc2ccc(C)cc2-c2nnn[n-]2)C1=O ZINC001602863008 1069780782 /nfs/dbraw/zinc/78/07/82/1069780782.db2.gz PCQLFMKOMODWDK-ZDUSSCGKSA-N -1 3 315.402 2.054 20 30 DEEDHM C=CCN1CC[C@H](Sc2ccc(C)cc2-c2nn[n-]n2)C1=O ZINC001602863008 1069780791 /nfs/dbraw/zinc/78/07/91/1069780791.db2.gz PCQLFMKOMODWDK-ZDUSSCGKSA-N -1 3 315.402 2.054 20 30 DEEDHM CC(=Cc1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001602906574 1069792296 /nfs/dbraw/zinc/79/22/96/1069792296.db2.gz OEGMWWVTVRLRMQ-JXMROGBWSA-N -1 3 320.312 2.373 20 30 DEEDHM CC(=Cc1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001602906574 1069792297 /nfs/dbraw/zinc/79/22/97/1069792297.db2.gz OEGMWWVTVRLRMQ-JXMROGBWSA-N -1 3 320.312 2.373 20 30 DEEDHM C[C@@H](C#N)OCCSCCc1ccc(-c2nnn[n-]2)cc1 ZINC001602988810 1069823994 /nfs/dbraw/zinc/82/39/94/1069823994.db2.gz JWHJITITUSGDIA-NSHDSACASA-N -1 3 303.391 2.071 20 30 DEEDHM C[C@@H](C#N)OCCSCCc1ccc(-c2nn[n-]n2)cc1 ZINC001602988810 1069824024 /nfs/dbraw/zinc/82/40/24/1069824024.db2.gz JWHJITITUSGDIA-NSHDSACASA-N -1 3 303.391 2.071 20 30 DEEDHM C[C@H](NCc1ccncc1C#N)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604347505 1070340031 /nfs/dbraw/zinc/34/00/31/1070340031.db2.gz FKTHURNRPYBPGG-GUYCJALGSA-N -1 3 309.369 2.375 20 30 DEEDHM COc1cc(C=CC(=O)c2cscn2)ccc1-c1nnn[n-]1 ZINC001605206342 1070643589 /nfs/dbraw/zinc/64/35/89/1070643589.db2.gz UJSPTATVHBRPKX-HYXAFXHYSA-N -1 3 313.342 2.228 20 30 DEEDHM COc1cc(C=CC(=O)c2cscn2)ccc1-c1nn[n-]n1 ZINC001605206342 1070643592 /nfs/dbraw/zinc/64/35/92/1070643592.db2.gz UJSPTATVHBRPKX-HYXAFXHYSA-N -1 3 313.342 2.228 20 30 DEEDHM COc1ccc(CSCCO[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC001605288118 1070671948 /nfs/dbraw/zinc/67/19/48/1070671948.db2.gz QHDCFWZLBZLDOW-SNVBAGLBSA-N -1 3 319.390 2.037 20 30 DEEDHM COc1ccc(CSCCO[C@H](C)C#N)cc1-c1nn[n-]n1 ZINC001605288118 1070671952 /nfs/dbraw/zinc/67/19/52/1070671952.db2.gz QHDCFWZLBZLDOW-SNVBAGLBSA-N -1 3 319.390 2.037 20 30 DEEDHM Cc1cc(OC(=O)CC2(C#N)CC2)c(C)c(C)c1-c1nn[n-]n1 ZINC001605745283 1070890255 /nfs/dbraw/zinc/89/02/55/1070890255.db2.gz TYQRPBGUNXFIHV-UHFFFAOYSA-N -1 3 311.345 2.391 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC1CCC(F)(F)CC1 ZINC001606023852 1071021973 /nfs/dbraw/zinc/02/19/73/1071021973.db2.gz KSFNKCRTNKITOO-UHFFFAOYSA-N -1 3 307.308 2.069 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC1CCC(F)(F)CC1 ZINC001606023852 1071021991 /nfs/dbraw/zinc/02/19/91/1071021991.db2.gz KSFNKCRTNKITOO-UHFFFAOYSA-N -1 3 307.308 2.069 20 30 DEEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1cccc(-c2nnn[n-]2)c1 ZINC001606105078 1071043043 /nfs/dbraw/zinc/04/30/43/1071043043.db2.gz NSHSSCVAZWHDTL-FPLPWBNLSA-N -1 3 308.345 2.113 20 30 DEEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1cccc(-c2nn[n-]n2)c1 ZINC001606105078 1071043049 /nfs/dbraw/zinc/04/30/49/1071043049.db2.gz NSHSSCVAZWHDTL-FPLPWBNLSA-N -1 3 308.345 2.113 20 30 DEEDHM N#CC1(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)CCCCC1 ZINC001606340346 1071127917 /nfs/dbraw/zinc/12/79/17/1071127917.db2.gz LDXOWAPVHWFSPQ-UHFFFAOYSA-N -1 3 314.324 2.418 20 30 DEEDHM N#CC1(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)CCCCC1 ZINC001606340346 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CCn1ccnc1C(C#N)=C([O-])c1cn(C)nc1-c1ccco1 ZINC001517046963 1068950946 /nfs/dbraw/zinc/95/09/46/1068950946.db2.gz QQAMIWXKFVFWIC-NSHDSACASA-N -1 3 309.329 2.387 20 30 DEEDHM N#CCOc1ccccc1C(=O)NCc1c([O-])cccc1F ZINC001645048494 1078874398 /nfs/dbraw/zinc/87/43/98/1078874398.db2.gz XVMVRTMIYVMIOV-UHFFFAOYSA-N -1 3 300.289 2.364 20 30 DEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001552209744 1074494322 /nfs/dbraw/zinc/49/43/22/1074494322.db2.gz CPJCGNJVVYFUPA-OWCLPIDISA-N -1 3 316.401 2.457 20 30 DEEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001552321034 1074540157 /nfs/dbraw/zinc/54/01/57/1074540157.db2.gz IPGBPWLFXRULBW-RRFJBIMHSA-N -1 3 302.374 2.067 20 30 DEEDHM CCCCN([O-])C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC001559035069 1075111648 /nfs/dbraw/zinc/11/16/48/1075111648.db2.gz ARPBJAAVEVFGLF-UHFFFAOYSA-N -1 3 319.321 2.115 20 30 DEEDHM N#Cc1csc(C[N-]S(=O)(=O)c2cccc3ccoc32)n1 ZINC001561970105 1075156958 /nfs/dbraw/zinc/15/69/58/1075156958.db2.gz 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N#Cc1cnccc1N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001581882985 1076108235 /nfs/dbraw/zinc/10/82/35/1076108235.db2.gz GHYPQXITURDGNW-MRXNPFEDSA-N -1 3 317.356 2.045 20 30 DEEDHM N#Cc1sccc1C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001581886038 1076109200 /nfs/dbraw/zinc/10/92/00/1076109200.db2.gz WRTHNOYRTMQNSR-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM N#Cc1sccc1C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001581886038 1076109203 /nfs/dbraw/zinc/10/92/03/1076109203.db2.gz WRTHNOYRTMQNSR-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM C#C[C@H](CC)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588326284 1076439932 /nfs/dbraw/zinc/43/99/32/1076439932.db2.gz IXLWAXBHMXHULL-SECBINFHSA-N -1 3 304.741 2.053 20 30 DEEDHM C#C[C@H](CC)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588326284 1076439935 /nfs/dbraw/zinc/43/99/35/1076439935.db2.gz IXLWAXBHMXHULL-SECBINFHSA-N -1 3 304.741 2.053 20 30 DEEDHM C#C[C@@H](CCC)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588327752 1076440327 /nfs/dbraw/zinc/44/03/27/1076440327.db2.gz 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C=CC(C)(C)CCNC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588488661 1076450265 /nfs/dbraw/zinc/45/02/65/1076450265.db2.gz KWKLWDNMGQZBRR-UHFFFAOYSA-N -1 3 303.341 2.338 20 30 DEEDHM C=CC(C)(C)CCNC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001588488661 1076450267 /nfs/dbraw/zinc/45/02/67/1076450267.db2.gz KWKLWDNMGQZBRR-UHFFFAOYSA-N -1 3 303.341 2.338 20 30 DEEDHM C=CC[C@@H](CC)NC(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001588540758 1076452255 /nfs/dbraw/zinc/45/22/55/1076452255.db2.gz FFQNQSQOHIQVJY-LLVKDONJSA-N -1 3 310.361 2.433 20 30 DEEDHM C=CC[C@@H](CC)NC(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001588540758 1076452258 /nfs/dbraw/zinc/45/22/58/1076452258.db2.gz FFQNQSQOHIQVJY-LLVKDONJSA-N -1 3 310.361 2.433 20 30 DEEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588545977 1076453807 /nfs/dbraw/zinc/45/38/07/1076453807.db2.gz SVDYHGJNKMPTIO-ZDUSSCGKSA-N -1 3 322.372 2.112 20 30 DEEDHM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588545977 1076453809 /nfs/dbraw/zinc/45/38/09/1076453809.db2.gz SVDYHGJNKMPTIO-ZDUSSCGKSA-N -1 3 322.372 2.112 20 30 DEEDHM C=CCCCC(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1 ZINC001588583656 1076456422 /nfs/dbraw/zinc/45/64/22/1076456422.db2.gz ZXPWDVDYUYKKSM-UHFFFAOYSA-N -1 3 312.377 2.422 20 30 DEEDHM C=CCCCC(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1 ZINC001588583656 1076456423 /nfs/dbraw/zinc/45/64/23/1076456423.db2.gz ZXPWDVDYUYKKSM-UHFFFAOYSA-N -1 3 312.377 2.422 20 30 DEEDHM C=CCCCCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588596563 1076457287 /nfs/dbraw/zinc/45/72/87/1076457287.db2.gz UEDDSUKLDRSBQV-UHFFFAOYSA-N -1 3 300.366 2.022 20 30 DEEDHM C=CCCCCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588596563 1076457289 /nfs/dbraw/zinc/45/72/89/1076457289.db2.gz UEDDSUKLDRSBQV-UHFFFAOYSA-N -1 3 300.366 2.022 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001588611616 1076457364 /nfs/dbraw/zinc/45/73/64/1076457364.db2.gz VDDFPXVUUNEMKD-JTQLQIEISA-N -1 3 319.340 2.234 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001588611616 1076457366 /nfs/dbraw/zinc/45/73/66/1076457366.db2.gz VDDFPXVUUNEMKD-JTQLQIEISA-N -1 3 319.340 2.234 20 30 DEEDHM C=CCN(CCC#N)C(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001588631622 1076458390 /nfs/dbraw/zinc/45/83/90/1076458390.db2.gz JJPZBTGXTATCSM-UHFFFAOYSA-N -1 3 317.378 2.170 20 30 DEEDHM C=CCN(CCC#N)C(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001588631622 1076458391 /nfs/dbraw/zinc/45/83/91/1076458391.db2.gz JJPZBTGXTATCSM-UHFFFAOYSA-N -1 3 317.378 2.170 20 30 DEEDHM C=CCCOCCNc1nc(C)c(-c2nnn[n-]2)cc1Cl ZINC001588617906 1076458427 /nfs/dbraw/zinc/45/84/27/1076458427.db2.gz HCSBJNKXNIVING-UHFFFAOYSA-N -1 3 308.773 2.228 20 30 DEEDHM C=CCCOCCNc1nc(C)c(-c2nn[n-]n2)cc1Cl ZINC001588617906 1076458431 /nfs/dbraw/zinc/45/84/31/1076458431.db2.gz HCSBJNKXNIVING-UHFFFAOYSA-N -1 3 308.773 2.228 20 30 DEEDHM C=CCO[C@@H]1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC001588666038 1076460985 /nfs/dbraw/zinc/46/09/85/1076460985.db2.gz XRSQCRIUEBZIRF-CQSZACIVSA-N -1 3 322.372 2.196 20 30 DEEDHM C=CCO[C@@H]1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC001588666038 1076460986 /nfs/dbraw/zinc/46/09/86/1076460986.db2.gz XRSQCRIUEBZIRF-CQSZACIVSA-N -1 3 322.372 2.196 20 30 DEEDHM C=CCOCCCCOC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588682250 1076461091 /nfs/dbraw/zinc/46/10/91/1076461091.db2.gz KTEOGQYXIIBRBD-UHFFFAOYSA-N -1 3 316.361 2.315 20 30 DEEDHM C=CCOCCCCOC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588682250 1076461093 /nfs/dbraw/zinc/46/10/93/1076461093.db2.gz KTEOGQYXIIBRBD-UHFFFAOYSA-N -1 3 316.361 2.315 20 30 DEEDHM C=C[C@@H]1OCCC[C@H]1Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001588718389 1076461710 /nfs/dbraw/zinc/46/17/10/1076461710.db2.gz KYVAOIUKWXOBTD-MNOVXSKESA-N -1 3 306.757 2.061 20 30 DEEDHM C=C[C@@H]1OCCC[C@H]1Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001588718389 1076461711 /nfs/dbraw/zinc/46/17/11/1076461711.db2.gz KYVAOIUKWXOBTD-MNOVXSKESA-N -1 3 306.757 2.061 20 30 DEEDHM CC#CCCCC(=O)N(c1cc(-c2nnn[n-]2)cc(C)n1)C1CC1 ZINC001588739086 1076461898 /nfs/dbraw/zinc/46/18/98/1076461898.db2.gz YMMODEXYLGWRKH-UHFFFAOYSA-N -1 3 324.388 2.259 20 30 DEEDHM CC#CCCCC(=O)N(c1cc(-c2nn[n-]n2)cc(C)n1)C1CC1 ZINC001588739086 1076461901 /nfs/dbraw/zinc/46/19/01/1076461901.db2.gz YMMODEXYLGWRKH-UHFFFAOYSA-N -1 3 324.388 2.259 20 30 DEEDHM C[C@H](O)c1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)cc1 ZINC001590004282 1076545881 /nfs/dbraw/zinc/54/58/81/1076545881.db2.gz TVGBKEPVKICGRW-NSHDSACASA-N -1 3 320.356 2.404 20 30 DEEDHM C[C@H](O)c1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)cc1 ZINC001590004282 1076545884 /nfs/dbraw/zinc/54/58/84/1076545884.db2.gz TVGBKEPVKICGRW-NSHDSACASA-N -1 3 320.356 2.404 20 30 DEEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)CC(C)(C)C#N ZINC001590044433 1076550070 /nfs/dbraw/zinc/55/00/70/1076550070.db2.gz PVBLIVSMZZYSBT-LLVKDONJSA-N -1 3 312.377 2.326 20 30 DEEDHM C[C@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)CC(C)(C)C#N ZINC001590044433 1076550074 /nfs/dbraw/zinc/55/00/74/1076550074.db2.gz PVBLIVSMZZYSBT-LLVKDONJSA-N -1 3 312.377 2.326 20 30 DEEDHM C[C@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)CC=CCC1 ZINC001590070574 1076556001 /nfs/dbraw/zinc/55/60/01/1076556001.db2.gz CZAGLUHSRGEHTF-INIZCTEOSA-N -1 3 308.345 2.423 20 30 DEEDHM C[C@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)CC=CCC1 ZINC001590070574 1076556003 /nfs/dbraw/zinc/55/60/03/1076556003.db2.gz CZAGLUHSRGEHTF-INIZCTEOSA-N -1 3 308.345 2.423 20 30 DEEDHM CC1(C)C[C@H](NN=Cc2csc(-c3nnn[n-]3)c2)C(C)(C)O1 ZINC001590083978 1076558218 /nfs/dbraw/zinc/55/82/18/1076558218.db2.gz QUQLVZVEJCRTRK-NSHDSACASA-N -1 3 320.422 2.198 20 30 DEEDHM CC[C@@](C)(C#N)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC001590372694 1076616441 /nfs/dbraw/zinc/61/64/41/1076616441.db2.gz ZUIOHNLFXJKVNJ-ZDUSSCGKSA-N -1 3 304.379 2.423 20 30 DEEDHM CC[C@@](C)(C#N)C(=O)Nc1sc(C)c(C)c1-c1nn[n-]n1 ZINC001590372694 1076616443 /nfs/dbraw/zinc/61/64/43/1076616443.db2.gz ZUIOHNLFXJKVNJ-ZDUSSCGKSA-N -1 3 304.379 2.423 20 30 DEEDHM CC[C@@H](C#N)N(CC)C(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001590368002 1076616532 /nfs/dbraw/zinc/61/65/32/1076616532.db2.gz QZORMCAHFMERKJ-ZDUSSCGKSA-N -1 3 312.377 2.248 20 30 DEEDHM CC[C@@H](C#N)N(CC)C(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001590368002 1076616533 /nfs/dbraw/zinc/61/65/33/1076616533.db2.gz QZORMCAHFMERKJ-ZDUSSCGKSA-N -1 3 312.377 2.248 20 30 DEEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001590372537 1076616733 /nfs/dbraw/zinc/61/67/33/1076616733.db2.gz WKTFELCAJLEOQO-CYBMUJFWSA-N -1 3 304.741 2.398 20 30 DEEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001590372537 1076616735 /nfs/dbraw/zinc/61/67/35/1076616735.db2.gz WKTFELCAJLEOQO-CYBMUJFWSA-N -1 3 304.741 2.398 20 30 DEEDHM CN(CCC#N)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001591061680 1076707204 /nfs/dbraw/zinc/70/72/04/1076707204.db2.gz BGZJUFFKUXPPAL-UHFFFAOYSA-N -1 3 324.388 2.051 20 30 DEEDHM CN(CCC#N)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001591061680 1076707211 /nfs/dbraw/zinc/70/72/11/1076707211.db2.gz BGZJUFFKUXPPAL-UHFFFAOYSA-N -1 3 324.388 2.051 20 30 DEEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cscc1C#N ZINC001591144354 1076713613 /nfs/dbraw/zinc/71/36/13/1076713613.db2.gz SDVKSEZCFAYHSR-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cscc1C#N ZINC001591144354 1076713614 /nfs/dbraw/zinc/71/36/14/1076713614.db2.gz SDVKSEZCFAYHSR-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM COc1ccc(C=Cc2cc(-c3nnn[n-]3)ccn2)cc1C#N ZINC001591582480 1076760987 /nfs/dbraw/zinc/76/09/87/1076760987.db2.gz ADQPLWAUYGPJFK-RQOWECAXSA-N -1 3 304.313 2.312 20 30 DEEDHM COc1ccc(C=Cc2cc(-c3nn[n-]n3)ccn2)cc1C#N ZINC001591582480 1076760993 /nfs/dbraw/zinc/76/09/93/1076760993.db2.gz ADQPLWAUYGPJFK-RQOWECAXSA-N -1 3 304.313 2.312 20 30 DEEDHM Cc1cc(C#N)cc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001591905877 1076805323 /nfs/dbraw/zinc/80/53/23/1076805323.db2.gz NMYAHUKWRVLPMU-UHFFFAOYSA-N -1 3 305.345 2.078 20 30 DEEDHM Cc1cc(C#N)cc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001591905877 1076805328 /nfs/dbraw/zinc/80/53/28/1076805328.db2.gz NMYAHUKWRVLPMU-UHFFFAOYSA-N -1 3 305.345 2.078 20 30 DEEDHM Cc1cc(C)c(-c2nnn[n-]2)c(N(C)Cc2cccc(C#N)c2)n1 ZINC001591939914 1076812451 /nfs/dbraw/zinc/81/24/51/1076812451.db2.gz MTFLPOSRFRADRP-UHFFFAOYSA-N -1 3 319.372 2.387 20 30 DEEDHM Cc1cc(C)c(-c2nn[n-]n2)c(N(C)Cc2cccc(C#N)c2)n1 ZINC001591939914 1076812458 /nfs/dbraw/zinc/81/24/58/1076812458.db2.gz MTFLPOSRFRADRP-UHFFFAOYSA-N -1 3 319.372 2.387 20 30 DEEDHM Cc1ccc(SCc2ncc(C#N)cn2)c(-c2nnn[n-]2)c1 ZINC001592196255 1076873092 /nfs/dbraw/zinc/87/30/92/1076873092.db2.gz JXXIYHCXPOXCBT-UHFFFAOYSA-N -1 3 309.358 2.129 20 30 DEEDHM Cc1ccc(SCc2ncc(C#N)cn2)c(-c2nn[n-]n2)c1 ZINC001592196255 1076873094 /nfs/dbraw/zinc/87/30/94/1076873094.db2.gz JXXIYHCXPOXCBT-UHFFFAOYSA-N -1 3 309.358 2.129 20 30 DEEDHM Cc1cnc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C ZINC001592291349 1076890543 /nfs/dbraw/zinc/89/05/43/1076890543.db2.gz LSDUORNBHABDDM-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cnc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1C ZINC001592291349 1076890547 /nfs/dbraw/zinc/89/05/47/1076890547.db2.gz LSDUORNBHABDDM-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM FC(F)CNN=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592623251 1076934155 /nfs/dbraw/zinc/93/41/55/1076934155.db2.gz KPZHOQYDECAUAN-UHFFFAOYSA-N -1 3 306.320 2.152 20 30 DEEDHM FC(F)CNN=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592623251 1076934156 /nfs/dbraw/zinc/93/41/56/1076934156.db2.gz KPZHOQYDECAUAN-UHFFFAOYSA-N -1 3 306.320 2.152 20 30 DEEDHM Fc1cc(N=NCCCc2ccc(-c3nnn[n-]3)cc2)ccn1 ZINC001592643316 1076941005 /nfs/dbraw/zinc/94/10/05/1076941005.db2.gz QIQZTRGGANOWKE-UHFFFAOYSA-N -1 3 311.324 2.431 20 30 DEEDHM Fc1cc(N=NCCCc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC001592643316 1076941010 /nfs/dbraw/zinc/94/10/10/1076941010.db2.gz QIQZTRGGANOWKE-UHFFFAOYSA-N -1 3 311.324 2.431 20 30 DEEDHM N#CC1(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001592670479 1076949327 /nfs/dbraw/zinc/94/93/27/1076949327.db2.gz CIZYTAKCPVJZSA-UHFFFAOYSA-N -1 3 324.388 2.142 20 30 DEEDHM N#CC1(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001592670479 1076949332 /nfs/dbraw/zinc/94/93/32/1076949332.db2.gz CIZYTAKCPVJZSA-UHFFFAOYSA-N -1 3 324.388 2.142 20 30 DEEDHM N#CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592673676 1076951190 /nfs/dbraw/zinc/95/11/90/1076951190.db2.gz JKIFGSVLAMJUAJ-NSHDSACASA-N -1 3 311.349 2.024 20 30 DEEDHM N#CC[C@@H]1CCCN(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592673676 1076951194 /nfs/dbraw/zinc/95/11/94/1076951194.db2.gz JKIFGSVLAMJUAJ-NSHDSACASA-N -1 3 311.349 2.024 20 30 DEEDHM N#CCc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC001592680260 1076951644 /nfs/dbraw/zinc/95/16/44/1076951644.db2.gz SYXCSVIHOXHJRC-UHFFFAOYSA-N -1 3 322.303 2.324 20 30 DEEDHM N#CCc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC001592680260 1076951646 /nfs/dbraw/zinc/95/16/46/1076951646.db2.gz SYXCSVIHOXHJRC-UHFFFAOYSA-N -1 3 322.303 2.324 20 30 DEEDHM N#CCc1cccc(NC(=O)c2cscc2-c2nnn[n-]2)c1 ZINC001592679980 1076952070 /nfs/dbraw/zinc/95/20/70/1076952070.db2.gz JAFWSRSEJPTQIU-UHFFFAOYSA-N -1 3 310.342 2.247 20 30 DEEDHM N#CCc1cccc(NC(=O)c2cscc2-c2nn[n-]n2)c1 ZINC001592679980 1076952074 /nfs/dbraw/zinc/95/20/74/1076952074.db2.gz JAFWSRSEJPTQIU-UHFFFAOYSA-N -1 3 310.342 2.247 20 30 DEEDHM N#CCCSCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001592677428 1076952378 /nfs/dbraw/zinc/95/23/78/1076952378.db2.gz AHUZKINGLQTLGC-UHFFFAOYSA-N -1 3 322.781 2.105 20 30 DEEDHM N#CCCSCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001592677428 1076952380 /nfs/dbraw/zinc/95/23/80/1076952380.db2.gz AHUZKINGLQTLGC-UHFFFAOYSA-N -1 3 322.781 2.105 20 30 DEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCCC1CCC1 ZINC001592686724 1076952403 /nfs/dbraw/zinc/95/24/03/1076952403.db2.gz QUGWCOMIXDHWFT-UHFFFAOYSA-N -1 3 315.406 2.388 20 30 DEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCCC1CCC1 ZINC001592686724 1076952407 /nfs/dbraw/zinc/95/24/07/1076952407.db2.gz QUGWCOMIXDHWFT-UHFFFAOYSA-N -1 3 315.406 2.388 20 30 DEEDHM N#Cc1ccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001592693207 1076953632 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/nfs/dbraw/zinc/64/22/34/536642234.db2.gz OCZRWAVKAFHTQR-GFCCVEGCSA-N -1 3 316.810 2.161 20 30 DEEDHM N#Cc1cc(NC(=O)c2cccc(F)c2)ccc1-c1nnn[n-]1 ZINC000737708823 598915724 /nfs/dbraw/zinc/91/57/24/598915724.db2.gz JDGRRSVCRLEESV-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM N#Cc1cc(NC(=O)c2cccc(F)c2)ccc1-c1nn[n-]n1 ZINC000737708823 598915726 /nfs/dbraw/zinc/91/57/26/598915726.db2.gz JDGRRSVCRLEESV-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM COc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821786818 607253843 /nfs/dbraw/zinc/25/38/43/607253843.db2.gz KEHYEHIIXJYKPJ-UHFFFAOYSA-N -1 3 314.374 2.061 20 30 DEEDHM COc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821786818 607253844 /nfs/dbraw/zinc/25/38/44/607253844.db2.gz KEHYEHIIXJYKPJ-UHFFFAOYSA-N -1 3 314.374 2.061 20 30 DEEDHM C=CCSCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000735436083 598960433 /nfs/dbraw/zinc/96/04/33/598960433.db2.gz FDDWTGAVRAESJF-UHFFFAOYSA-N -1 3 309.782 2.378 20 30 DEEDHM C=CCSCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000735436083 598960435 /nfs/dbraw/zinc/96/04/35/598960435.db2.gz FDDWTGAVRAESJF-UHFFFAOYSA-N -1 3 309.782 2.378 20 30 DEEDHM CCn1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cn1 ZINC000821565160 599116083 /nfs/dbraw/zinc/11/60/83/599116083.db2.gz GOUANKLOLGIWGX-QPEQYQDCSA-N -1 3 320.356 2.296 20 30 DEEDHM CCn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cn1 ZINC000821565160 599116086 /nfs/dbraw/zinc/11/60/86/599116086.db2.gz GOUANKLOLGIWGX-QPEQYQDCSA-N -1 3 320.356 2.296 20 30 DEEDHM COc1ccc(C=NNc2ccccc2F)cc1-c1nnn[n-]1 ZINC000737082266 599129027 /nfs/dbraw/zinc/12/90/27/599129027.db2.gz GOHUXLSDMZZLAE-UHFFFAOYSA-N -1 3 312.308 2.460 20 30 DEEDHM COc1ccc(C=NNc2ccccc2F)cc1-c1nn[n-]n1 ZINC000737082266 599129030 /nfs/dbraw/zinc/12/90/30/599129030.db2.gz GOHUXLSDMZZLAE-UHFFFAOYSA-N -1 3 312.308 2.460 20 30 DEEDHM N#Cc1ccc(NC(=O)[C@@H]2Cc3ccccc32)cc1-c1nnn[n-]1 ZINC000737717145 599192544 /nfs/dbraw/zinc/19/25/44/599192544.db2.gz ZWTONWKUADIMAL-OAHLLOKOSA-N -1 3 316.324 2.017 20 30 DEEDHM N#Cc1ccc(NC(=O)[C@@H]2Cc3ccccc32)cc1-c1nn[n-]n1 ZINC000737717145 599192546 /nfs/dbraw/zinc/19/25/46/599192546.db2.gz ZWTONWKUADIMAL-OAHLLOKOSA-N -1 3 316.324 2.017 20 30 DEEDHM N#Cc1ccc2ncc(CNCc3ccc(C(=O)[O-])cc3)n2c1 ZINC000819106406 597135997 /nfs/dbraw/zinc/13/59/97/597135997.db2.gz OKFCRLUNLUIEMC-UHFFFAOYSA-N -1 3 306.325 2.194 20 30 DEEDHM C=C(C)CN(CC)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735398277 598266379 /nfs/dbraw/zinc/26/63/79/598266379.db2.gz GKOXCPTWESHRRG-UHFFFAOYSA-N -1 3 304.329 2.436 20 30 DEEDHM C=C(C)CN(CC)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735398277 598266380 /nfs/dbraw/zinc/26/63/80/598266380.db2.gz GKOXCPTWESHRRG-UHFFFAOYSA-N -1 3 304.329 2.436 20 30 DEEDHM O=C(C=Cc1cccc2nccn21)c1ccc(-c2nnn[n-]2)cc1 ZINC000822929625 607351202 /nfs/dbraw/zinc/35/12/02/607351202.db2.gz VWSTXQHNJYJSQK-HJWRWDBZSA-N -1 3 316.324 2.411 20 30 DEEDHM O=C(C=Cc1cccc2nccn21)c1ccc(-c2nn[n-]n2)cc1 ZINC000822929625 607351204 /nfs/dbraw/zinc/35/12/04/607351204.db2.gz VWSTXQHNJYJSQK-HJWRWDBZSA-N -1 3 316.324 2.411 20 30 DEEDHM N#Cc1ccc(C(=O)CSc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000737710132 598569459 /nfs/dbraw/zinc/56/94/59/598569459.db2.gz RKOYTVOPAROTNX-UHFFFAOYSA-N -1 3 322.353 2.108 20 30 DEEDHM N#Cc1ccc(C(=O)CSc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000737710132 598569460 /nfs/dbraw/zinc/56/94/60/598569460.db2.gz RKOYTVOPAROTNX-UHFFFAOYSA-N -1 3 322.353 2.108 20 30 DEEDHM C#CCCn1c(C)csc1=Nc1ccccc1-c1nnn[n-]1 ZINC000735374162 598819658 /nfs/dbraw/zinc/81/96/58/598819658.db2.gz DRQRNHPBKAJCEC-UHFFFAOYSA-N -1 3 310.386 2.294 20 30 DEEDHM C#CCCn1c(C)csc1=Nc1ccccc1-c1nn[n-]n1 ZINC000735374162 598819659 /nfs/dbraw/zinc/81/96/59/598819659.db2.gz DRQRNHPBKAJCEC-UHFFFAOYSA-N -1 3 310.386 2.294 20 30 DEEDHM C[C@@H](N=Cc1cccc(O)c1O)c1cccc(-c2nn[n-]n2)c1 ZINC000820307896 599397933 /nfs/dbraw/zinc/39/79/33/599397933.db2.gz QUVGSTBZHWZYLO-LGQZLYSRSA-N -1 3 309.329 2.458 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1cccc(C#N)c1 ZINC000826252559 607383540 /nfs/dbraw/zinc/38/35/40/607383540.db2.gz HWWXCZQVTKTPGO-UHFFFAOYSA-N -1 3 319.324 2.404 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1cccc(C#N)c1 ZINC000826252559 607383541 /nfs/dbraw/zinc/38/35/41/607383541.db2.gz HWWXCZQVTKTPGO-UHFFFAOYSA-N -1 3 319.324 2.404 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC#Cc1ccccc1 ZINC000826250989 607399421 /nfs/dbraw/zinc/39/94/21/607399421.db2.gz BNSGALXRQGCKID-UHFFFAOYSA-N -1 3 318.336 2.384 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC#Cc1ccccc1 ZINC000826250989 607399422 /nfs/dbraw/zinc/39/94/22/607399422.db2.gz BNSGALXRQGCKID-UHFFFAOYSA-N -1 3 318.336 2.384 20 30 DEEDHM C=C(Br)CNCc1ccc(-c2nnn[n-]2)cc1F ZINC000819718423 607478555 /nfs/dbraw/zinc/47/85/55/607478555.db2.gz GFXISRHIRVHSRV-UHFFFAOYSA-N -1 3 312.146 2.004 20 30 DEEDHM C=C(Br)CNCc1ccc(-c2nn[n-]n2)cc1F ZINC000819718423 607478557 /nfs/dbraw/zinc/47/85/57/607478557.db2.gz GFXISRHIRVHSRV-UHFFFAOYSA-N -1 3 312.146 2.004 20 30 DEEDHM C[C@]1(C(=O)[O-])CCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000828028759 601919884 /nfs/dbraw/zinc/91/98/84/601919884.db2.gz AGFPVMJAEFHOKU-HNNXBMFYSA-N -1 3 310.300 2.456 20 30 DEEDHM C=CCCCC(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000819734719 606236455 /nfs/dbraw/zinc/23/64/55/606236455.db2.gz RSIVDEHORQLVIY-UHFFFAOYSA-N -1 3 302.334 2.145 20 30 DEEDHM C=CCCCC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000819734719 606236457 /nfs/dbraw/zinc/23/64/57/606236457.db2.gz RSIVDEHORQLVIY-UHFFFAOYSA-N -1 3 302.334 2.145 20 30 DEEDHM Fc1ccc(CNN=Cc2ccc(-c3nnn[n-]3)s2)cc1F ZINC000822772235 606370878 /nfs/dbraw/zinc/37/08/78/606370878.db2.gz UOAAQCOLJDSINF-UHFFFAOYSA-N -1 3 320.328 2.330 20 30 DEEDHM C=CCCCN(C)c1nnc(CC)c(CC)c1-c1nnn[n-]1 ZINC000819740320 606936449 /nfs/dbraw/zinc/93/64/49/606936449.db2.gz XRCKRQRGQXMVJF-UHFFFAOYSA-N -1 3 301.398 2.184 20 30 DEEDHM C=CCCCN(C)c1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC000819740320 606936450 /nfs/dbraw/zinc/93/64/50/606936450.db2.gz XRCKRQRGQXMVJF-UHFFFAOYSA-N -1 3 301.398 2.184 20 30 DEEDHM Fc1ccc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)nc1 ZINC000822782753 607148863 /nfs/dbraw/zinc/14/88/63/607148863.db2.gz FJGPPQJYPIJDCH-UHFFFAOYSA-N -1 3 322.307 2.328 20 30 DEEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826332827 607884694 /nfs/dbraw/zinc/88/46/94/607884694.db2.gz JIYIFNABCNDRNA-CMDGGOBGSA-N -1 3 308.345 2.113 20 30 DEEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826332827 607884695 /nfs/dbraw/zinc/88/46/95/607884695.db2.gz JIYIFNABCNDRNA-CMDGGOBGSA-N -1 3 308.345 2.113 20 30 DEEDHM C=C(C)[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1F)OCC ZINC000823873081 607927776 /nfs/dbraw/zinc/92/77/76/607927776.db2.gz HVBATFWVULCZME-ZDUSSCGKSA-N -1 3 320.324 2.283 20 30 DEEDHM C=C(C)[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1F)OCC ZINC000823873081 607927777 /nfs/dbraw/zinc/92/77/77/607927777.db2.gz HVBATFWVULCZME-ZDUSSCGKSA-N -1 3 320.324 2.283 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ncc(C)cn1 ZINC000823915455 608031745 /nfs/dbraw/zinc/03/17/45/608031745.db2.gz YKUVCENFPXTMLI-UHFFFAOYSA-N -1 3 321.388 2.153 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ncc(C)cn1 ZINC000823915455 608031746 /nfs/dbraw/zinc/03/17/46/608031746.db2.gz YKUVCENFPXTMLI-UHFFFAOYSA-N -1 3 321.388 2.153 20 30 DEEDHM C[C@@]1(C#N)CCCN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC000824777073 608125664 /nfs/dbraw/zinc/12/56/64/608125664.db2.gz HNFVEBSJVATARO-HNNXBMFYSA-N -1 3 300.341 2.131 20 30 DEEDHM C[C@@]1(C#N)CCCN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC000824777073 608125665 /nfs/dbraw/zinc/12/56/65/608125665.db2.gz HNFVEBSJVATARO-HNNXBMFYSA-N -1 3 300.341 2.131 20 30 DEEDHM N#Cc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826384671 608536678 /nfs/dbraw/zinc/53/66/78/608536678.db2.gz FFEPRYMBFWQFKE-UHFFFAOYSA-N -1 3 324.735 2.233 20 30 DEEDHM N#Cc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826384671 608536679 /nfs/dbraw/zinc/53/66/79/608536679.db2.gz FFEPRYMBFWQFKE-UHFFFAOYSA-N -1 3 324.735 2.233 20 30 DEEDHM CC(=NO[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962273 609276842 /nfs/dbraw/zinc/27/68/42/609276842.db2.gz ITAVBBGBVSPQIB-CYBMUJFWSA-N 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CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N([O-])CCCC ZINC000904210183 643599255 /nfs/dbraw/zinc/59/92/55/643599255.db2.gz IGVCVBHWODLKBU-SEVUFMINSA-N -1 3 300.424 2.262 20 30 DEEDHM Cn1cc(C(=O)CCC(=O)N([O-])Cc2ccccc2Cl)cn1 ZINC000904192990 643601678 /nfs/dbraw/zinc/60/16/78/643601678.db2.gz HOBAAJRNNGMTDY-UHFFFAOYSA-N -1 3 321.764 2.454 20 30 DEEDHM O=C(c1cn(C2CC2)nn1)N([O-])CCCCc1ccccc1 ZINC000904195694 643602266 /nfs/dbraw/zinc/60/22/66/643602266.db2.gz JFSOFOGJNRKWTB-UHFFFAOYSA-N -1 3 300.362 2.467 20 30 DEEDHM COc1cc(C(=O)N([O-])CCCCc2ccccc2)nn1C ZINC000904198301 643603492 /nfs/dbraw/zinc/60/34/92/643603492.db2.gz ZGZNHIVLYILLPW-UHFFFAOYSA-N -1 3 303.362 2.283 20 30 DEEDHM CCCCCCN([O-])C(=O)c1cc(S(=O)(=O)NC)cs1 ZINC000904204249 643605466 /nfs/dbraw/zinc/60/54/66/643605466.db2.gz ICSNVDVIAAUZBU-UHFFFAOYSA-N -1 3 320.436 2.068 20 30 DEEDHM CCCCN([O-])C(=O)c1cnn2c1nccc2-c1cccnc1 ZINC000904214559 643612477 /nfs/dbraw/zinc/61/24/77/643612477.db2.gz DBTOJIRSTWAHGU-UHFFFAOYSA-N -1 3 311.345 2.423 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314.393 2.093 20 30 DEEDHM C[C@@H](C#N)OCCOc1c(-c2nnn[n-]2)ccc2ccccc21 ZINC001602989795 1069825151 /nfs/dbraw/zinc/82/51/51/1069825151.db2.gz SVNIHQWXXBQZCU-NSHDSACASA-N -1 3 309.329 2.327 20 30 DEEDHM C[C@@H](C#N)OCCOc1c(-c2nn[n-]n2)ccc2ccccc21 ZINC001602989795 1069825179 /nfs/dbraw/zinc/82/51/79/1069825179.db2.gz SVNIHQWXXBQZCU-NSHDSACASA-N -1 3 309.329 2.327 20 30 DEEDHM C[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC001603649353 1070015787 /nfs/dbraw/zinc/01/57/87/1070015787.db2.gz NCAFHSYAIAAZDJ-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC001603649353 1070015800 /nfs/dbraw/zinc/01/58/00/1070015800.db2.gz NCAFHSYAIAAZDJ-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@@H](NCc1ccncc1C#N)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001604347498 1070342770 /nfs/dbraw/zinc/34/27/70/1070342770.db2.gz FKTHURNRPYBPGG-CXAGYDPISA-N -1 3 309.369 2.375 20 30 DEEDHM COc1ccc(C=NNCC2(C)CCCC2)cc1-c1nnn[n-]1 ZINC001605270440 1070667850 /nfs/dbraw/zinc/66/78/50/1070667850.db2.gz VMFHNJRYLMIMQG-UHFFFAOYSA-N -1 3 314.393 2.379 20 30 DEEDHM COc1ccc(C=NNCC2(C)CCCC2)cc1-c1nn[n-]n1 ZINC001605270440 1070667856 /nfs/dbraw/zinc/66/78/56/1070667856.db2.gz VMFHNJRYLMIMQG-UHFFFAOYSA-N -1 3 314.393 2.379 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)O[C@H]1CC[C@@H](C#N)C1 ZINC001605514263 1070740938 /nfs/dbraw/zinc/74/09/38/1070740938.db2.gz ZEINGIFRCZAZBD-YPMHNXCESA-N -1 3 311.345 2.333 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)O[C@H]1CC[C@@H](C#N)C1 ZINC001605514263 1070740950 /nfs/dbraw/zinc/74/09/50/1070740950.db2.gz ZEINGIFRCZAZBD-YPMHNXCESA-N -1 3 311.345 2.333 20 30 DEEDHM Cc1cc(N(C)CCc2cccc(-c3nnn[n-]3)c2)c(C#N)cn1 ZINC001605688137 1070840500 /nfs/dbraw/zinc/84/05/00/1070840500.db2.gz IWQWHRZIBFDIAR-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM Cc1cc(N(C)CCc2cccc(-c3nn[n-]n3)c2)c(C#N)cn1 ZINC001605688137 1070840525 /nfs/dbraw/zinc/84/05/25/1070840525.db2.gz IWQWHRZIBFDIAR-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM CN1CCN(Cc2cccc(C(=O)[O-])c2C#N)C[C@@H]1C(C)(C)C ZINC001606244586 1071092762 /nfs/dbraw/zinc/09/27/62/1071092762.db2.gz NJJPGEAXZJALDS-MRXNPFEDSA-N -1 3 315.417 2.419 20 30 DEEDHM N#CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001606349472 1071132012 /nfs/dbraw/zinc/13/20/12/1071132012.db2.gz NOBUBEFQYWEDTH-UHFFFAOYSA-N -1 3 322.303 2.176 20 30 DEEDHM N#CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001606349472 1071132014 /nfs/dbraw/zinc/13/20/14/1071132014.db2.gz NOBUBEFQYWEDTH-UHFFFAOYSA-N -1 3 322.303 2.176 20 30 DEEDHM N#Cc1ccc(OCCNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001606379472 1071137845 /nfs/dbraw/zinc/13/78/45/1071137845.db2.gz ZVKCQJBKKCHAMW-UHFFFAOYSA-N -1 3 306.329 2.229 20 30 DEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cn2ccccc2n1 ZINC001606483329 1071151492 /nfs/dbraw/zinc/15/14/92/1071151492.db2.gz VFFDLVRHFQAZHX-TWGQIWQCSA-N -1 3 316.324 2.411 20 30 DEEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cn2ccccc2n1 ZINC001606483329 1071151499 /nfs/dbraw/zinc/15/14/99/1071151499.db2.gz 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1078229098 /nfs/dbraw/zinc/22/90/98/1078229098.db2.gz HXFUECAZUOOVDM-UHFFFAOYSA-N -1 3 321.340 2.458 20 30 DEEDHM N#Cc1ccccc1C=CC(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001631825470 1078373046 /nfs/dbraw/zinc/37/30/46/1078373046.db2.gz HKJNEJWNJFLZJK-GXMNPTEKSA-N -1 3 308.341 2.016 20 30 DEEDHM C#C[C@H](CCC)NC(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC001634720799 1078436846 /nfs/dbraw/zinc/43/68/46/1078436846.db2.gz KILUHZGUWNDIQS-SNVBAGLBSA-N -1 3 304.296 2.338 20 30 DEEDHM Cc1cccc(-c2cccc(C(=O)N[C@H]3CCN([O-])C3=O)c2)c1 ZINC001636352802 1078474967 /nfs/dbraw/zinc/47/49/67/1078474967.db2.gz MRRLTSYJIMPBOK-INIZCTEOSA-N -1 3 310.353 2.382 20 30 DEEDHM CN(C(=O)c1cc(-c2nnn[n-]2)ccc1F)c1ccccc1C#N ZINC001578907861 1067196963 /nfs/dbraw/zinc/19/69/63/1067196963.db2.gz PRQQHNAEZPNTNK-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM CN(C(=O)c1cc(-c2nn[n-]n2)ccc1F)c1ccccc1C#N ZINC001578907861 1067196968 /nfs/dbraw/zinc/19/69/68/1067196968.db2.gz PRQQHNAEZPNTNK-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM CN(C(=O)c1cc(C#N)ccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001578911985 1067198876 /nfs/dbraw/zinc/19/88/76/1067198876.db2.gz SBVPVTZUTZZXDS-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM CN(C(=O)c1cc(C#N)ccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001578911985 1067198877 /nfs/dbraw/zinc/19/88/77/1067198877.db2.gz SBVPVTZUTZZXDS-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM CN(C(=O)c1csc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001578946485 1067208419 /nfs/dbraw/zinc/20/84/19/1067208419.db2.gz YAIUCYFYYZWMKZ-UHFFFAOYSA-N -1 3 310.342 2.076 20 30 DEEDHM N#Cc1cc(NC(=O)C23CCCN2CCC3)ccc1NC(=O)[O-] ZINC001574245296 1069187115 /nfs/dbraw/zinc/18/71/15/1069187115.db2.gz KTMZXLYFGKMRNU-UHFFFAOYSA-N -1 3 314.345 2.215 20 30 DEEDHM N#CCN1CCc2ccccc2[C@H]1CNC(=O)c1ccccc1[O-] ZINC001645107323 1078877898 /nfs/dbraw/zinc/87/78/98/1078877898.db2.gz BIWBZXVPVDQWDO-QGZVFWFLSA-N -1 3 321.380 2.245 20 30 DEEDHM C#CCC1(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CCC1 ZINC001645146657 1078881261 /nfs/dbraw/zinc/88/12/61/1078881261.db2.gz FREJIAMCFYEXPV-UHFFFAOYSA-N -1 3 316.307 2.482 20 30 DEEDHM CC(C)n1cc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)cn1 ZINC000061683784 1079028488 /nfs/dbraw/zinc/02/84/88/1079028488.db2.gz QIADJGXJVKPRGM-UHFFFAOYSA-N -1 3 304.375 2.278 20 30 DEEDHM [O-]c1ccc(Cl)cc1C=NC[C@@H]1C[C@H](c2nnc[nH]2)C[C@H]1O ZINC001549520042 1073184959 /nfs/dbraw/zinc/18/49/59/1073184959.db2.gz ATVMNUYCLLOHPP-SKKAJETRSA-N -1 3 320.780 2.137 20 30 DEEDHM COc1cccc([C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)c1 ZINC001647074091 1074780366 /nfs/dbraw/zinc/78/03/66/1074780366.db2.gz TVAHDUKOAZIUIZ-LLVKDONJSA-N -1 3 316.382 2.495 20 30 DEEDHM COc1cc([N-]C(=O)c2noc3c2COCC3)c(F)cc1C#N ZINC001647399073 1074913144 /nfs/dbraw/zinc/91/31/44/1074913144.db2.gz SRBBLIJWEQWITM-UHFFFAOYSA-N -1 3 317.276 2.019 20 30 DEEDHM Cc1ccc(C#N)cc1NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001581138511 1076044568 /nfs/dbraw/zinc/04/45/68/1076044568.db2.gz ZMVYNAVEIOLSDJ-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1ccc(C#N)cc1NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001581138511 1076044572 /nfs/dbraw/zinc/04/45/72/1076044572.db2.gz ZMVYNAVEIOLSDJ-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1nc(C#N)n(Cc2ccc(Cl)cc2-c2nnn[n-]2)c1C ZINC001581411434 1076070473 /nfs/dbraw/zinc/07/04/73/1076070473.db2.gz ADMKCWCNQNAQNS-UHFFFAOYSA-N -1 3 313.752 2.253 20 30 DEEDHM Cc1nc(C#N)n(Cc2ccc(Cl)cc2-c2nn[n-]n2)c1C ZINC001581411434 1076070475 /nfs/dbraw/zinc/07/04/75/1076070475.db2.gz ADMKCWCNQNAQNS-UHFFFAOYSA-N -1 3 313.752 2.253 20 30 DEEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)ccc1-c1nnn[n-]1 ZINC001581866663 1076105318 /nfs/dbraw/zinc/10/53/18/1076105318.db2.gz OXRSRAZYGXYEPS-JRPNMDOOSA-N -1 3 320.356 2.279 20 30 DEEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)ccc1-c1nn[n-]n1 ZINC001581866663 1076105320 /nfs/dbraw/zinc/10/53/20/1076105320.db2.gz OXRSRAZYGXYEPS-JRPNMDOOSA-N -1 3 320.356 2.279 20 30 DEEDHM N#CCc1ccc(CNc2ncc(-c3nnn[n-]3)cc2F)cc1 ZINC001581859203 1076105553 /nfs/dbraw/zinc/10/55/53/1076105553.db2.gz ANZYJYRLOHIJGP-UHFFFAOYSA-N -1 3 309.308 2.079 20 30 DEEDHM N#CCc1ccc(CNc2ncc(-c3nn[n-]n3)cc2F)cc1 ZINC001581859203 1076105556 /nfs/dbraw/zinc/10/55/56/1076105556.db2.gz ANZYJYRLOHIJGP-UHFFFAOYSA-N -1 3 309.308 2.079 20 30 DEEDHM N#Cc1cnc(NCc2cc(-c3nnn[n-]3)ccc2F)c(F)c1 ZINC001581877955 1076107253 /nfs/dbraw/zinc/10/72/53/1076107253.db2.gz QJVDCYJZCWLHRE-UHFFFAOYSA-N -1 3 313.271 2.024 20 30 DEEDHM N#Cc1cnc(NCc2cc(-c3nn[n-]n3)ccc2F)c(F)c1 ZINC001581877955 1076107256 /nfs/dbraw/zinc/10/72/56/1076107256.db2.gz QJVDCYJZCWLHRE-UHFFFAOYSA-N -1 3 313.271 2.024 20 30 DEEDHM N#Cc1cccc2c1CN(Cc1ccc(F)cc1-c1nnn[n-]1)C2 ZINC001581875962 1076107304 /nfs/dbraw/zinc/10/73/04/1076107304.db2.gz ZQCYICPPACOPKL-UHFFFAOYSA-N -1 3 320.331 2.393 20 30 DEEDHM N#Cc1cccc2c1CN(Cc1ccc(F)cc1-c1nn[n-]n1)C2 ZINC001581875962 1076107308 /nfs/dbraw/zinc/10/73/08/1076107308.db2.gz ZQCYICPPACOPKL-UHFFFAOYSA-N -1 3 320.331 2.393 20 30 DEEDHM C=CCCCC(=O)NC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001584878933 1076326199 /nfs/dbraw/zinc/32/61/99/1076326199.db2.gz SDPOCGIYONGRHE-UHFFFAOYSA-N -1 3 302.374 2.127 20 30 DEEDHM C#C[C@](C)(CC)NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588325344 1076440241 /nfs/dbraw/zinc/44/02/41/1076440241.db2.gz JWRDPZFLDXVPBM-CQSZACIVSA-N -1 3 303.753 2.052 20 30 DEEDHM C#C[C@](C)(CC)NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588325344 1076440244 /nfs/dbraw/zinc/44/02/44/1076440244.db2.gz JWRDPZFLDXVPBM-CQSZACIVSA-N -1 3 303.753 2.052 20 30 DEEDHM C#CC1(NC(=O)[C@@H](C)Cc2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588333202 1076440656 /nfs/dbraw/zinc/44/06/56/1076440656.db2.gz GBWMKLYTQMJEPA-ZDUSSCGKSA-N -1 3 323.400 2.108 20 30 DEEDHM C#CC1(NC(=O)[C@@H](C)Cc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588333202 1076440659 /nfs/dbraw/zinc/44/06/59/1076440659.db2.gz GBWMKLYTQMJEPA-ZDUSSCGKSA-N -1 3 323.400 2.108 20 30 DEEDHM C#C[C@@H](NC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588329470 1076441483 /nfs/dbraw/zinc/44/14/83/1076441483.db2.gz GXGIFKQEWJIVTF-OAHLLOKOSA-N -1 3 318.340 2.363 20 30 DEEDHM C#C[C@@H](NC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588329470 1076441485 /nfs/dbraw/zinc/44/14/85/1076441485.db2.gz GXGIFKQEWJIVTF-OAHLLOKOSA-N -1 3 318.340 2.363 20 30 DEEDHM C#C[C@H]1CCCCN1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588332535 1076441506 /nfs/dbraw/zinc/44/15/06/1076441506.db2.gz MOACJALRHFQXRE-ZDUSSCGKSA-N -1 3 314.324 2.025 20 30 DEEDHM C#C[C@H]1CCCCN1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588332535 1076441508 /nfs/dbraw/zinc/44/15/08/1076441508.db2.gz MOACJALRHFQXRE-ZDUSSCGKSA-N -1 3 314.324 2.025 20 30 DEEDHM C#CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2COC)C1 ZINC001588335697 1076441909 /nfs/dbraw/zinc/44/19/09/1076441909.db2.gz VDUGLYCRUBXVRW-CYBMUJFWSA-N -1 3 311.389 2.253 20 30 DEEDHM C#CCOc1ccc(CNc2ncc(-c3nnn[n-]3)cc2F)cc1 ZINC001588362039 1076443321 /nfs/dbraw/zinc/44/33/21/1076443321.db2.gz PUHIONRSVOBMNE-UHFFFAOYSA-N -1 3 324.319 2.025 20 30 DEEDHM C#CCOc1ccc(CNc2ncc(-c3nn[n-]n3)cc2F)cc1 ZINC001588362039 1076443324 /nfs/dbraw/zinc/44/33/24/1076443324.db2.gz PUHIONRSVOBMNE-UHFFFAOYSA-N -1 3 324.319 2.025 20 30 DEEDHM C#CCOc1cccc(Oc2ncc(-c3nnn[n-]3)cc2F)c1 ZINC001588363240 1076443520 /nfs/dbraw/zinc/44/35/20/1076443520.db2.gz SWURLRPFEIWOFP-UHFFFAOYSA-N -1 3 311.276 2.205 20 30 DEEDHM C#CCOc1cccc(Oc2ncc(-c3nn[n-]n3)cc2F)c1 ZINC001588363240 1076443522 /nfs/dbraw/zinc/44/35/22/1076443522.db2.gz SWURLRPFEIWOFP-UHFFFAOYSA-N -1 3 311.276 2.205 20 30 DEEDHM C#Cc1cccc(NC(=O)c2cccc(-c3nnn[n-]3)c2C)c1 ZINC001588375388 1076444237 /nfs/dbraw/zinc/44/42/37/1076444237.db2.gz TWRVRIFBSQTVIN-UHFFFAOYSA-N -1 3 303.325 2.409 20 30 DEEDHM C#Cc1cccc(NC(=O)c2cccc(-c3nn[n-]n3)c2C)c1 ZINC001588375388 1076444241 /nfs/dbraw/zinc/44/42/41/1076444241.db2.gz TWRVRIFBSQTVIN-UHFFFAOYSA-N -1 3 303.325 2.409 20 30 DEEDHM C=C(C)[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)c(C)c1)OCC ZINC001588401187 1076446466 /nfs/dbraw/zinc/44/64/66/1076446466.db2.gz MVURKJNZDJEYCF-AWEZNQCLSA-N -1 3 316.361 2.452 20 30 DEEDHM C=C(C)[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)c(C)c1)OCC ZINC001588401187 1076446470 /nfs/dbraw/zinc/44/64/70/1076446470.db2.gz MVURKJNZDJEYCF-AWEZNQCLSA-N -1 3 316.361 2.452 20 30 DEEDHM C=C(C)CCNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001588425117 1076447379 /nfs/dbraw/zinc/44/73/79/1076447379.db2.gz WLOBAILNXKCMHH-UHFFFAOYSA-N -1 3 303.391 2.041 20 30 DEEDHM C=C(C)CCNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001588425117 1076447382 /nfs/dbraw/zinc/44/73/82/1076447382.db2.gz WLOBAILNXKCMHH-UHFFFAOYSA-N -1 3 303.391 2.041 20 30 DEEDHM C=C(Cl)COC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588447876 1076448224 /nfs/dbraw/zinc/44/82/24/1076448224.db2.gz MJBLDFUNKGQLTC-NWDGAFQWSA-N -1 3 304.737 2.266 20 30 DEEDHM C=C(Cl)COC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588447876 1076448227 /nfs/dbraw/zinc/44/82/27/1076448227.db2.gz MJBLDFUNKGQLTC-NWDGAFQWSA-N -1 3 304.737 2.266 20 30 DEEDHM C=CC[C@H](CC)NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588541729 1076452660 /nfs/dbraw/zinc/45/26/60/1076452660.db2.gz RCJTVFNIQJOBAK-AWEZNQCLSA-N -1 3 311.389 2.369 20 30 DEEDHM C=CC[C@H](CC)NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588541729 1076452663 /nfs/dbraw/zinc/45/26/63/1076452663.db2.gz RCJTVFNIQJOBAK-AWEZNQCLSA-N -1 3 311.389 2.369 20 30 DEEDHM C=CCC(C)(C)COC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588539198 1076452800 /nfs/dbraw/zinc/45/28/00/1076452800.db2.gz BPXPRKXMSQJECX-UHFFFAOYSA-N -1 3 316.361 2.391 20 30 DEEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588545976 1076453913 /nfs/dbraw/zinc/45/39/13/1076453913.db2.gz SVDYHGJNKMPTIO-CYBMUJFWSA-N -1 3 322.372 2.112 20 30 DEEDHM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588545976 1076453914 /nfs/dbraw/zinc/45/39/14/1076453914.db2.gz SVDYHGJNKMPTIO-CYBMUJFWSA-N -1 3 322.372 2.112 20 30 DEEDHM C=CCCN(C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588603493 1076456894 /nfs/dbraw/zinc/45/68/94/1076456894.db2.gz PCAVNVJIICCSKK-LLVKDONJSA-N -1 3 300.366 2.145 20 30 DEEDHM C=CCCN(C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588603493 1076456900 /nfs/dbraw/zinc/45/69/00/1076456900.db2.gz PCAVNVJIICCSKK-LLVKDONJSA-N -1 3 300.366 2.145 20 30 DEEDHM C=CCN(CC=C)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC001588631400 1076458082 /nfs/dbraw/zinc/45/80/82/1076458082.db2.gz DDKNVQGJPJUUCZ-UHFFFAOYSA-N -1 3 315.402 2.159 20 30 DEEDHM C=CCN(CC=C)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC001588631400 1076458084 /nfs/dbraw/zinc/45/80/84/1076458084.db2.gz DDKNVQGJPJUUCZ-UHFFFAOYSA-N -1 3 315.402 2.159 20 30 DEEDHM C=CCN(C(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21)C1CC1 ZINC001588625120 1076458818 /nfs/dbraw/zinc/45/88/18/1076458818.db2.gz DQRHMJUSSGHAHR-OAHLLOKOSA-N -1 3 324.388 2.214 20 30 DEEDHM C=CCN(C(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21)C1CC1 ZINC001588625120 1076458820 /nfs/dbraw/zinc/45/88/20/1076458820.db2.gz DQRHMJUSSGHAHR-OAHLLOKOSA-N -1 3 324.388 2.214 20 30 DEEDHM C=CCNC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588658577 1076459859 /nfs/dbraw/zinc/45/98/59/1076459859.db2.gz QHULOHSRJNITOW-LLVKDONJSA-N -1 3 300.366 2.145 20 30 DEEDHM C=CCNC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588658577 1076459863 /nfs/dbraw/zinc/45/98/63/1076459863.db2.gz QHULOHSRJNITOW-LLVKDONJSA-N -1 3 300.366 2.145 20 30 DEEDHM C=CCOc1ccc(CNc2cnccc2-c2nnn[n-]2)cc1 ZINC001588689953 1076460415 /nfs/dbraw/zinc/46/04/15/1076460415.db2.gz PSGVFWZFKFXCMQ-UHFFFAOYSA-N -1 3 308.345 2.439 20 30 DEEDHM C=CCOc1ccc(CNc2cnccc2-c2nn[n-]n2)cc1 ZINC001588689953 1076460419 /nfs/dbraw/zinc/46/04/19/1076460419.db2.gz PSGVFWZFKFXCMQ-UHFFFAOYSA-N -1 3 308.345 2.439 20 30 DEEDHM C[C@H](C#N)CN(C)c1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001588930721 1076470356 /nfs/dbraw/zinc/47/03/56/1076470356.db2.gz IMYYEMHRCWSONU-MRVPVSSYSA-N -1 3 310.283 2.481 20 30 DEEDHM C[C@H](C#N)CN(C)c1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001588930721 1076470358 /nfs/dbraw/zinc/47/03/58/1076470358.db2.gz IMYYEMHRCWSONU-MRVPVSSYSA-N -1 3 310.283 2.481 20 30 DEEDHM CC(C)(CCC#N)COC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001589272026 1076483171 /nfs/dbraw/zinc/48/31/71/1076483171.db2.gz DFSKUWMVCWYQFA-UHFFFAOYSA-N -1 3 317.324 2.493 20 30 DEEDHM CC(C)(CCC#N)COC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001589272026 1076483172 /nfs/dbraw/zinc/48/31/72/1076483172.db2.gz DFSKUWMVCWYQFA-UHFFFAOYSA-N -1 3 317.324 2.493 20 30 DEEDHM CC(C)[C@@H](Nc1c(C#N)cccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC001589475357 1076491272 /nfs/dbraw/zinc/49/12/72/1076491272.db2.gz MUMMETHWDAZHPF-CQSZACIVSA-N -1 3 322.376 2.281 20 30 DEEDHM CC(C)[C@@H](Nc1c(C#N)cccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001589475357 1076491274 /nfs/dbraw/zinc/49/12/74/1076491274.db2.gz MUMMETHWDAZHPF-CQSZACIVSA-N -1 3 322.376 2.281 20 30 DEEDHM CC(C)[C@@H](O)C(C)(C)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589476498 1076491409 /nfs/dbraw/zinc/49/14/09/1076491409.db2.gz QFPIWYWWINWWQE-CQSZACIVSA-N -1 3 314.393 2.193 20 30 DEEDHM CC(C)[C@@H](O)C(C)(C)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589476498 1076491410 /nfs/dbraw/zinc/49/14/10/1076491410.db2.gz QFPIWYWWINWWQE-CQSZACIVSA-N -1 3 314.393 2.193 20 30 DEEDHM C[C@H](CC#N)OC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589787397 1076516608 /nfs/dbraw/zinc/51/66/08/1076516608.db2.gz KIKHNNMUECAUKA-SECBINFHSA-N -1 3 317.324 2.129 20 30 DEEDHM C[C@H](CC#N)OC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589787397 1076516612 /nfs/dbraw/zinc/51/66/12/1076516612.db2.gz KIKHNNMUECAUKA-SECBINFHSA-N -1 3 317.324 2.129 20 30 DEEDHM CCC(=NN[C@@H]1CCCSC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359310 1076615905 /nfs/dbraw/zinc/61/59/05/1076615905.db2.gz YOSPTPWWNYZDIG-CYBMUJFWSA-N -1 3 316.434 2.466 20 30 DEEDHM CCC(=NN[C@@H]1CCCSC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359310 1076615906 /nfs/dbraw/zinc/61/59/06/1076615906.db2.gz YOSPTPWWNYZDIG-CYBMUJFWSA-N -1 3 316.434 2.466 20 30 DEEDHM CCN(C(=O)[C@H](C)CC#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590667320 1076665768 /nfs/dbraw/zinc/66/57/68/1076665768.db2.gz YQRFNXOOZBZVTK-VXGBXAGGSA-N -1 3 312.377 2.326 20 30 DEEDHM CCN(C(=O)[C@H](C)CC#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590667320 1076665770 /nfs/dbraw/zinc/66/57/70/1076665770.db2.gz YQRFNXOOZBZVTK-VXGBXAGGSA-N -1 3 312.377 2.326 20 30 DEEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@](C)(C#N)CC ZINC001590829014 1076682146 /nfs/dbraw/zinc/68/21/46/1076682146.db2.gz XIFAFUQQJTZWNI-HNNXBMFYSA-N -1 3 314.349 2.144 20 30 DEEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@](C)(C#N)CC ZINC001590829014 1076682150 /nfs/dbraw/zinc/68/21/50/1076682150.db2.gz XIFAFUQQJTZWNI-HNNXBMFYSA-N -1 3 314.349 2.144 20 30 DEEDHM CN(Cc1ccccc1O)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591148074 1076713859 /nfs/dbraw/zinc/71/38/59/1076713859.db2.gz ZLQYVFZWOQSCEB-UHFFFAOYSA-N -1 3 306.329 2.080 20 30 DEEDHM CN(Cc1ccccc1O)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591148074 1076713862 /nfs/dbraw/zinc/71/38/62/1076713862.db2.gz ZLQYVFZWOQSCEB-UHFFFAOYSA-N -1 3 306.329 2.080 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC001591862759 1076798093 /nfs/dbraw/zinc/79/80/93/1076798093.db2.gz FDVHJLVPRREYJC-WCQYABFASA-N -1 3 311.345 2.414 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC001591862759 1076798094 /nfs/dbraw/zinc/79/80/94/1076798094.db2.gz FDVHJLVPRREYJC-WCQYABFASA-N -1 3 311.345 2.414 20 30 DEEDHM Cc1cc(C)nc(N=NCc2ccc(-c3nnn[n-]3)c(C)c2)n1 ZINC001591957772 1076815034 /nfs/dbraw/zinc/81/50/34/1076815034.db2.gz HDRFVGMSWLMHPT-UHFFFAOYSA-N -1 3 308.349 2.028 20 30 DEEDHM Cc1cc(C)nc(N=NCc2ccc(-c3nn[n-]n3)c(C)c2)n1 ZINC001591957772 1076815040 /nfs/dbraw/zinc/81/50/40/1076815040.db2.gz HDRFVGMSWLMHPT-UHFFFAOYSA-N -1 3 308.349 2.028 20 30 DEEDHM Cc1cc(OC(=O)c2cc(C#N)cs2)ccc1-c1nnn[n-]1 ZINC001592058477 1076841511 /nfs/dbraw/zinc/84/15/11/1076841511.db2.gz PVXLJZKEOKGSSH-UHFFFAOYSA-N -1 3 311.326 2.328 20 30 DEEDHM Cc1cc(OC(=O)c2cc(C#N)cs2)ccc1-c1nn[n-]n1 ZINC001592058477 1076841515 /nfs/dbraw/zinc/84/15/15/1076841515.db2.gz PVXLJZKEOKGSSH-UHFFFAOYSA-N -1 3 311.326 2.328 20 30 DEEDHM N#CC1(C(=O)OCc2ccc(-c3nnn[n-]3)cc2)CCCCC1 ZINC001592667444 1076949313 /nfs/dbraw/zinc/94/93/13/1076949313.db2.gz VZSQTPCYXRRYBB-UHFFFAOYSA-N -1 3 311.345 2.384 20 30 DEEDHM N#CC1(C(=O)OCc2ccc(-c3nn[n-]n3)cc2)CCCCC1 ZINC001592667444 1076949316 /nfs/dbraw/zinc/94/93/16/1076949316.db2.gz VZSQTPCYXRRYBB-UHFFFAOYSA-N -1 3 311.345 2.384 20 30 DEEDHM N#CCCCCC(=O)N[C@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592675504 1076950712 /nfs/dbraw/zinc/95/07/12/1076950712.db2.gz VWLGEDKICALRNN-HNNXBMFYSA-N -1 3 324.388 2.444 20 30 DEEDHM N#CCCCCC(=O)N[C@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592675504 1076950718 /nfs/dbraw/zinc/95/07/18/1076950718.db2.gz VWLGEDKICALRNN-HNNXBMFYSA-N -1 3 324.388 2.444 20 30 DEEDHM N#Cc1ccc(CN2Cc3ccc(-c4nnn[n-]4)cc3C2)cc1F ZINC001592693009 1076953313 /nfs/dbraw/zinc/95/33/13/1076953313.db2.gz VKRZONDNMDGPQZ-UHFFFAOYSA-N -1 3 320.331 2.393 20 30 DEEDHM N#Cc1ccc(CN2Cc3ccc(-c4nn[n-]n4)cc3C2)cc1F ZINC001592693009 1076953315 /nfs/dbraw/zinc/95/33/15/1076953315.db2.gz VKRZONDNMDGPQZ-UHFFFAOYSA-N -1 3 320.331 2.393 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1cccc(O)c1 ZINC001592699723 1076955339 /nfs/dbraw/zinc/95/53/39/1076955339.db2.gz JRQNYUQJJBYOLH-UHFFFAOYSA-N -1 3 306.329 2.099 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1cccc(O)c1 ZINC001592699723 1076955344 /nfs/dbraw/zinc/95/53/44/1076955344.db2.gz JRQNYUQJJBYOLH-UHFFFAOYSA-N -1 3 306.329 2.099 20 30 DEEDHM O=C(C=Cc1ccc(F)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC001592792387 1076959669 /nfs/dbraw/zinc/95/96/69/1076959669.db2.gz OAMAWLXPUPLOPL-ORCRQEGFSA-N -1 3 313.267 2.436 20 30 DEEDHM O=C(C=Cc1ccc(F)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC001592792387 1076959670 /nfs/dbraw/zinc/95/96/70/1076959670.db2.gz OAMAWLXPUPLOPL-ORCRQEGFSA-N -1 3 313.267 2.436 20 30 DEEDHM O=C(C=Cc1cccc(F)c1-c1nnn[n-]1)c1cscn1 ZINC001592794451 1076960096 /nfs/dbraw/zinc/96/00/96/1076960096.db2.gz NTZOLEYRPQQCCH-SNAWJCMRSA-N -1 3 301.306 2.358 20 30 DEEDHM O=C(C=Cc1cccc(F)c1-c1nn[n-]n1)c1cscn1 ZINC001592794451 1076960098 /nfs/dbraw/zinc/96/00/98/1076960098.db2.gz NTZOLEYRPQQCCH-SNAWJCMRSA-N -1 3 301.306 2.358 20 30 DEEDHM O=C1C(=Cc2ccc(O)cc2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001593379802 1077003515 /nfs/dbraw/zinc/00/35/15/1077003515.db2.gz KAMFUTCKGMEJFQ-GHXNOFRVSA-N -1 3 319.324 2.180 20 30 DEEDHM O=C1C(=Cc2ccc(O)cc2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001593379802 1077003519 /nfs/dbraw/zinc/00/35/19/1077003519.db2.gz KAMFUTCKGMEJFQ-GHXNOFRVSA-N -1 3 319.324 2.180 20 30 DEEDHM Oc1cccc(C=N[C@H]2CCc3cc(-c4nn[n-]n4)ccc32)c1O ZINC001593540354 1077021331 /nfs/dbraw/zinc/02/13/31/1077021331.db2.gz UAGOWNAKBYDNFM-WXARJGPPSA-N -1 3 321.340 2.384 20 30 DEEDHM C#Cc1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[n-]2)cc1 ZINC001597931014 1077104695 /nfs/dbraw/zinc/10/46/95/1077104695.db2.gz HBXHYIHPSVBGSP-QMMMGPOBSA-N -1 3 308.263 2.296 20 30 DEEDHM C=CCn1cc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)nn1 ZINC001598174578 1077108629 /nfs/dbraw/zinc/10/86/29/1077108629.db2.gz SFEBIZGVRSJQOX-UHFFFAOYSA-N -1 3 310.279 2.011 20 30 DEEDHM N#Cc1cnc(Cl)c(CN2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC001601130764 1077346110 /nfs/dbraw/zinc/34/61/10/1077346110.db2.gz VLZWFAPVJODKDE-UHTWSYAYSA-N -1 3 305.765 2.292 20 30 DEEDHM 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316.324 2.017 20 30 DEEDHM N#Cc1cc(NC(=O)[C@@H]2Cc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737705119 599191894 /nfs/dbraw/zinc/19/18/94/599191894.db2.gz MVYJYQDFCKHDMP-OAHLLOKOSA-N -1 3 316.324 2.017 20 30 DEEDHM C#CCCCNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000819692297 599227432 /nfs/dbraw/zinc/22/74/32/599227432.db2.gz ARKABPVXIFLWFC-UHFFFAOYSA-N -1 3 320.809 2.220 20 30 DEEDHM C#CCCCNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000819692297 599227434 /nfs/dbraw/zinc/22/74/34/599227434.db2.gz ARKABPVXIFLWFC-UHFFFAOYSA-N -1 3 320.809 2.220 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C[C@H](C#N)CCC#N ZINC000735426293 598788269 /nfs/dbraw/zinc/78/82/69/598788269.db2.gz OVXLGLWLFQEJIV-HNNXBMFYSA-N -1 3 321.388 2.298 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C[C@H](C#N)CCC#N ZINC000735426293 598788271 /nfs/dbraw/zinc/78/82/71/598788271.db2.gz OVXLGLWLFQEJIV-HNNXBMFYSA-N -1 3 321.388 2.298 20 30 DEEDHM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)cc2)[C@@H]2CCCO[C@H]21 ZINC000820578215 599337105 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C=C(C)[C@H](CC(=O)Nc1ccccc1-c1nnn[n-]1)OCC ZINC000823873320 607920245 /nfs/dbraw/zinc/92/02/45/607920245.db2.gz LCFRMLNQCIPNKS-ZDUSSCGKSA-N -1 3 301.350 2.177 20 30 DEEDHM C=C(C)[C@H](CC(=O)Nc1ccccc1-c1nn[n-]n1)OCC ZINC000823873320 607920246 /nfs/dbraw/zinc/92/02/46/607920246.db2.gz LCFRMLNQCIPNKS-ZDUSSCGKSA-N -1 3 301.350 2.177 20 30 DEEDHM N#CCc1ccc(C(=O)OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000826382573 607978874 /nfs/dbraw/zinc/97/88/74/607978874.db2.gz KLPZRMDSISSQOE-UHFFFAOYSA-N -1 3 319.324 2.290 20 30 DEEDHM N#CCc1ccc(C(=O)OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000826382573 607978875 /nfs/dbraw/zinc/97/88/75/607978875.db2.gz KLPZRMDSISSQOE-UHFFFAOYSA-N -1 3 319.324 2.290 20 30 DEEDHM C=CCN(C(=O)Nc1ccc(F)cc1-c1nnn[n-]1)C1CC1 ZINC000823903773 608264969 /nfs/dbraw/zinc/26/49/69/608264969.db2.gz KCGSFNMUCVXXIJ-UHFFFAOYSA-N -1 3 302.313 2.188 20 30 DEEDHM C=CCN(C(=O)Nc1ccc(F)cc1-c1nn[n-]n1)C1CC1 ZINC000823903773 608264971 /nfs/dbraw/zinc/26/49/71/608264971.db2.gz KCGSFNMUCVXXIJ-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/51/01/32/609510132.db2.gz GSMMGYYQFWMHAL-UHFFFAOYSA-N -1 3 314.345 2.364 20 30 DEEDHM CC[C@H]1C[C@H](C=NNCc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825184743 609516864 /nfs/dbraw/zinc/51/68/64/609516864.db2.gz YYHISDLFPZHCQC-HIFRSBDPSA-N -1 3 314.393 2.147 20 30 DEEDHM CC[C@H]1C[C@H](C=NNCc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825184743 609516865 /nfs/dbraw/zinc/51/68/65/609516865.db2.gz YYHISDLFPZHCQC-HIFRSBDPSA-N -1 3 314.393 2.147 20 30 DEEDHM CC[C@H]1C[C@H](CN=Nc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825181258 609516903 /nfs/dbraw/zinc/51/69/03/609516903.db2.gz CKHNHADCXPKLBS-RISCZKNCSA-N -1 3 300.366 2.470 20 30 DEEDHM CC[C@H]1C[C@H](CN=Nc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825181258 609516904 /nfs/dbraw/zinc/51/69/04/609516904.db2.gz CKHNHADCXPKLBS-RISCZKNCSA-N -1 3 300.366 2.470 20 30 DEEDHM CCCCCCCOC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825271108 609627669 /nfs/dbraw/zinc/62/76/69/609627669.db2.gz GVWXRLOCYCHTKF-CQSZACIVSA-N -1 3 318.377 2.414 20 30 DEEDHM 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C=CC[C@@H](C=C)OC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001602811142 1069762636 /nfs/dbraw/zinc/76/26/36/1069762636.db2.gz FHTDBISYLIDHDZ-CQSZACIVSA-N -1 3 313.361 2.220 20 30 DEEDHM C=CC[C@@H](C=C)OC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001602811142 1069762647 /nfs/dbraw/zinc/76/26/47/1069762647.db2.gz FHTDBISYLIDHDZ-CQSZACIVSA-N -1 3 313.361 2.220 20 30 DEEDHM C=CC[C@H]1CCN(C(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)C1 ZINC001602823922 1069767504 /nfs/dbraw/zinc/76/75/04/1069767504.db2.gz NJQTVFFHIWINCJ-NSHDSACASA-N -1 3 322.372 2.386 20 30 DEEDHM C=CCN(CC=C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001602849976 1069777604 /nfs/dbraw/zinc/77/76/04/1069777604.db2.gz KOSDZRHOQCTCSB-UHFFFAOYSA-N -1 3 314.349 2.081 20 30 DEEDHM C=CCN(CC=C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001602849976 1069777609 /nfs/dbraw/zinc/77/76/09/1069777609.db2.gz KOSDZRHOQCTCSB-UHFFFAOYSA-N -1 3 314.349 2.081 20 30 DEEDHM C=CCN(C)CCN(CC)C(=O)c1ccccc1CCC(=O)[O-] ZINC001602887104 1069786401 /nfs/dbraw/zinc/78/64/01/1069786401.db2.gz 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C=CCCO[C@@H](C)C(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000819740148 607080233 /nfs/dbraw/zinc/08/02/33/607080233.db2.gz RFAQMRVAUFBLAS-JTQLQIEISA-N -1 3 320.324 2.030 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000819740148 607080234 /nfs/dbraw/zinc/08/02/34/607080234.db2.gz RFAQMRVAUFBLAS-JTQLQIEISA-N -1 3 320.324 2.030 20 30 DEEDHM C[C@H](C#N)CN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824034727 607817530 /nfs/dbraw/zinc/81/75/30/607817530.db2.gz NWZCQIWUBJAEPH-SNVBAGLBSA-N -1 3 311.349 2.023 20 30 DEEDHM C[C@H](C#N)CN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824034727 607817531 /nfs/dbraw/zinc/81/75/31/607817531.db2.gz NWZCQIWUBJAEPH-SNVBAGLBSA-N -1 3 311.349 2.023 20 30 DEEDHM C[C@@H](C#N)CN(Cc1cn2ccccc2c1-c1nnn[n-]1)C1CC1 ZINC000824035473 607831545 /nfs/dbraw/zinc/83/15/45/607831545.db2.gz YQUNKKXBYPIWPC-LBPRGKRZSA-N -1 3 321.388 2.243 20 30 DEEDHM C[C@@H](C#N)CN(Cc1cn2ccccc2c1-c1nn[n-]n1)C1CC1 ZINC000824035473 607831546 /nfs/dbraw/zinc/83/15/46/607831546.db2.gz 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C=C(CC)CNC(=O)C(C)(C)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588441956 1076448303 /nfs/dbraw/zinc/44/83/03/1076448303.db2.gz KNHYAGREWICQRC-UHFFFAOYSA-N -1 3 317.368 2.366 20 30 DEEDHM C=C(CC)CNC(=O)C(C)(C)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588441956 1076448305 /nfs/dbraw/zinc/44/83/05/1076448305.db2.gz KNHYAGREWICQRC-UHFFFAOYSA-N -1 3 317.368 2.366 20 30 DEEDHM C=C(CC)COC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588444200 1076448535 /nfs/dbraw/zinc/44/85/35/1076448535.db2.gz QGVSRPBDCIPSGN-UHFFFAOYSA-N -1 3 324.344 2.175 20 30 DEEDHM C=C(CC)COC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588444200 1076448537 /nfs/dbraw/zinc/44/85/37/1076448537.db2.gz QGVSRPBDCIPSGN-UHFFFAOYSA-N -1 3 324.344 2.175 20 30 DEEDHM C=C1[C@@H]2C[C@H](C[C@@H]1OC(=O)c1c[nH]c(-c3nnn[n-]3)c1)C2(C)C ZINC001588462965 1076449434 /nfs/dbraw/zinc/44/94/34/1076449434.db2.gz VODHBINRYSVYCT-MDZLAQPJSA-N -1 3 313.361 2.342 20 30 DEEDHM C=C1[C@@H]2C[C@H](C[C@@H]1OC(=O)c1c[nH]c(-c3nn[n-]n3)c1)C2(C)C ZINC001588462965 1076449435 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ZINC001588480771 1076450670 /nfs/dbraw/zinc/45/06/70/1076450670.db2.gz DGXZFDBUMQCEEG-UHFFFAOYSA-N -1 3 302.334 2.001 20 30 DEEDHM C=CC1CCN(C(=O)Nc2cc(C)c(-c3nnn[n-]3)cn2)CC1 ZINC001588527658 1076451525 /nfs/dbraw/zinc/45/15/25/1076451525.db2.gz SCMFWQBAQUGKKU-UHFFFAOYSA-N -1 3 313.365 2.000 20 30 DEEDHM C=CC1CCN(C(=O)Nc2cc(C)c(-c3nn[n-]n3)cn2)CC1 ZINC001588527658 1076451529 /nfs/dbraw/zinc/45/15/29/1076451529.db2.gz SCMFWQBAQUGKKU-UHFFFAOYSA-N -1 3 313.365 2.000 20 30 DEEDHM C=C[C@@H](COC)Nc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001588526455 1076451701 /nfs/dbraw/zinc/45/17/01/1076451701.db2.gz WSKOQIKCOOGBFD-QMMMGPOBSA-N -1 3 302.363 2.089 20 30 DEEDHM C=C[C@@H](COC)Nc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001588526455 1076451703 /nfs/dbraw/zinc/45/17/03/1076451703.db2.gz WSKOQIKCOOGBFD-QMMMGPOBSA-N -1 3 302.363 2.089 20 30 DEEDHM C[C@@H](C#N)CNc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588934570 1076470645 /nfs/dbraw/zinc/47/06/45/1076470645.db2.gz PQOUCFVWKLQVIS-ZETCQYMHSA-N -1 3 307.155 2.201 20 30 DEEDHM C=CC[C@H](Sc1cccc(F)c1-c1nnn[n-]1)C(=O)OC ZINC001588548550 1076453652 /nfs/dbraw/zinc/45/36/52/1076453652.db2.gz FMAQMTXKHWSIAV-JTQLQIEISA-N -1 3 308.338 2.216 20 30 DEEDHM C=CC[C@H](CC)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588542185 1076454140 /nfs/dbraw/zinc/45/41/40/1076454140.db2.gz XHSOBPWFWJLWHW-JTQLQIEISA-N -1 3 304.329 2.482 20 30 DEEDHM C=CC[C@H](CC)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588542185 1076454145 /nfs/dbraw/zinc/45/41/45/1076454145.db2.gz XHSOBPWFWJLWHW-JTQLQIEISA-N -1 3 304.329 2.482 20 30 DEEDHM C=CC[C@H]1CCN1C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588564420 1076454916 /nfs/dbraw/zinc/45/49/16/1076454916.db2.gz NENUJEFHJSBIIM-AWEZNQCLSA-N -1 3 309.373 2.075 20 30 DEEDHM C=CC[C@H]1CCN1C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588564420 1076454918 /nfs/dbraw/zinc/45/49/18/1076454918.db2.gz NENUJEFHJSBIIM-AWEZNQCLSA-N -1 3 309.373 2.075 20 30 DEEDHM C=CCCC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588577774 1076455523 /nfs/dbraw/zinc/45/55/23/1076455523.db2.gz MXBAKAAIGZFUPL-UHFFFAOYSA-N -1 3 300.366 2.045 20 30 DEEDHM C=CCCC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588577774 1076455526 /nfs/dbraw/zinc/45/55/26/1076455526.db2.gz MXBAKAAIGZFUPL-UHFFFAOYSA-N -1 3 300.366 2.045 20 30 DEEDHM C=CCCCCCCNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC001588594740 1076455900 /nfs/dbraw/zinc/45/59/00/1076455900.db2.gz ZYBKEPBWTQMBCT-UHFFFAOYSA-N -1 3 302.382 2.072 20 30 DEEDHM C=CCCCCCCNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC001588594740 1076455902 /nfs/dbraw/zinc/45/59/02/1076455902.db2.gz ZYBKEPBWTQMBCT-UHFFFAOYSA-N -1 3 302.382 2.072 20 30 DEEDHM C=CCCCN(CC)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588601002 1076457267 /nfs/dbraw/zinc/45/72/67/1076457267.db2.gz AOEKRVIXJOXDIZ-UHFFFAOYSA-N -1 3 314.393 2.364 20 30 DEEDHM C=CCCCN(CC)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588601002 1076457271 /nfs/dbraw/zinc/45/72/71/1076457271.db2.gz AOEKRVIXJOXDIZ-UHFFFAOYSA-N -1 3 314.393 2.364 20 30 DEEDHM C=CCN(C(=O)c1ncc(-c2nnn[n-]2)cc1C)c1ccccc1 ZINC001588625707 1076458769 /nfs/dbraw/zinc/45/87/69/1076458769.db2.gz NBFXJVIDTKUPBE-UHFFFAOYSA-N -1 3 320.356 2.403 20 30 DEEDHM C=CCN(C(=O)c1ncc(-c2nn[n-]n2)cc1C)c1ccccc1 ZINC001588625707 1076458772 /nfs/dbraw/zinc/45/87/72/1076458772.db2.gz NBFXJVIDTKUPBE-UHFFFAOYSA-N -1 3 320.356 2.403 20 30 DEEDHM C=CCOc1ccc(OC(=O)c2cc(-c3nnn[n-]3)ccn2)cc1 ZINC001588690127 1076460895 /nfs/dbraw/zinc/46/08/95/1076460895.db2.gz UKFUHWCHZZAHNO-UHFFFAOYSA-N -1 3 323.312 2.046 20 30 DEEDHM C=CCOc1ccc(OC(=O)c2cc(-c3nn[n-]n3)ccn2)cc1 ZINC001588690127 1076460897 /nfs/dbraw/zinc/46/08/97/1076460897.db2.gz UKFUHWCHZZAHNO-UHFFFAOYSA-N -1 3 323.312 2.046 20 30 DEEDHM C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588725527 1076462161 /nfs/dbraw/zinc/46/21/61/1076462161.db2.gz GJPBKALRSUCJIB-GDLCADMTSA-N -1 3 314.345 2.062 20 30 DEEDHM C=C[C@@H]1OCC[C@H]1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588725527 1076462162 /nfs/dbraw/zinc/46/21/62/1076462162.db2.gz GJPBKALRSUCJIB-GDLCADMTSA-N -1 3 314.345 2.062 20 30 DEEDHM C[C@H](C#N)CNc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588934566 1076470459 /nfs/dbraw/zinc/47/04/59/1076470459.db2.gz PQOUCFVWKLQVIS-SSDOTTSWSA-N -1 3 307.155 2.201 20 30 DEEDHM C[C@H](C#N)CNc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588934566 1076470460 /nfs/dbraw/zinc/47/04/60/1076470460.db2.gz PQOUCFVWKLQVIS-SSDOTTSWSA-N -1 3 307.155 2.201 20 30 DEEDHM C[C@@H](C#N)CNc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588934570 1076470643 /nfs/dbraw/zinc/47/06/43/1076470643.db2.gz PQOUCFVWKLQVIS-ZETCQYMHSA-N -1 3 307.155 2.201 20 30 DEEDHM CC(C)(C)CN(CCC#N)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001589129678 1076476539 /nfs/dbraw/zinc/47/65/39/1076476539.db2.gz XRQZTLHCTLUOIV-UHFFFAOYSA-N -1 3 318.406 2.330 20 30 DEEDHM C[C@H](CC#N)N(C)c1cc(Br)ccc1-c1nnn[n-]1 ZINC001589788349 1076515814 /nfs/dbraw/zinc/51/58/14/1076515814.db2.gz XEJTUHDYJYSIJE-MRVPVSSYSA-N -1 3 321.182 2.368 20 30 DEEDHM C[C@H](CC#N)N(C)c1cc(Br)ccc1-c1nn[n-]n1 ZINC001589788349 1076515819 /nfs/dbraw/zinc/51/58/19/1076515819.db2.gz XEJTUHDYJYSIJE-MRVPVSSYSA-N -1 3 321.182 2.368 20 30 DEEDHM C[C@@H](CC#N)Nc1c(Br)cccc1-c1nnn[n-]1 ZINC001589786787 1076516319 /nfs/dbraw/zinc/51/63/19/1076516319.db2.gz DCDPRLDVCSEONR-ZETCQYMHSA-N -1 3 307.155 2.343 20 30 DEEDHM C[C@@H](CC#N)Nc1c(Br)cccc1-c1nn[n-]n1 ZINC001589786787 1076516321 /nfs/dbraw/zinc/51/63/21/1076516321.db2.gz DCDPRLDVCSEONR-ZETCQYMHSA-N -1 3 307.155 2.343 20 30 DEEDHM C[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC001589988463 1076543089 /nfs/dbraw/zinc/54/30/89/1076543089.db2.gz NSFJJHKTZZWQHH-SECBINFHSA-N -1 3 309.308 2.446 20 30 DEEDHM C[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC001589988463 1076543093 /nfs/dbraw/zinc/54/30/93/1076543093.db2.gz NSFJJHKTZZWQHH-SECBINFHSA-N -1 3 309.308 2.446 20 30 DEEDHM C[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)cc1F)C(C)(C)C#N ZINC001590013098 1076547437 /nfs/dbraw/zinc/54/74/37/1076547437.db2.gz MNKNACNNABSPGL-MRVPVSSYSA-N -1 3 303.297 2.101 20 30 DEEDHM C[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)cc1F)C(C)(C)C#N ZINC001590013098 1076547440 /nfs/dbraw/zinc/54/74/40/1076547440.db2.gz MNKNACNNABSPGL-MRVPVSSYSA-N -1 3 303.297 2.101 20 30 DEEDHM CC1(C)CCCN(CCc2ccc(-c3nnn[n-]3)cc2)[C@H]1C#N ZINC001590097782 1076562621 /nfs/dbraw/zinc/56/26/21/1076562621.db2.gz WNLNTZOLRJODOX-HNNXBMFYSA-N -1 3 310.405 2.423 20 30 DEEDHM CC1(C)CCCN(CCc2ccc(-c3nn[n-]n3)cc2)[C@H]1C#N ZINC001590097782 1076562626 /nfs/dbraw/zinc/56/26/26/1076562626.db2.gz WNLNTZOLRJODOX-HNNXBMFYSA-N -1 3 310.405 2.423 20 30 DEEDHM CCC(C#N)(CC)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001590367140 1076615724 /nfs/dbraw/zinc/61/57/24/1076615724.db2.gz DHUBMZIDTKAQAF-LLVKDONJSA-N -1 3 312.377 2.374 20 30 DEEDHM CCC(C#N)(CC)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590367140 1076615727 /nfs/dbraw/zinc/61/57/27/1076615727.db2.gz DHUBMZIDTKAQAF-LLVKDONJSA-N -1 3 312.377 2.374 20 30 DEEDHM CCN(C(=O)C#CC(C)C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590666660 1076665949 /nfs/dbraw/zinc/66/59/49/1076665949.db2.gz SYRSZRDHWWDCQP-CYBMUJFWSA-N -1 3 311.389 2.436 20 30 DEEDHM CCN(C(=O)C#CC(C)C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590666660 1076665950 /nfs/dbraw/zinc/66/59/50/1076665950.db2.gz SYRSZRDHWWDCQP-CYBMUJFWSA-N -1 3 311.389 2.436 20 30 DEEDHM CCOC1CC(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC001590787652 1076676894 /nfs/dbraw/zinc/67/68/94/1076676894.db2.gz BZJQTCIOIHUZFX-UHFFFAOYSA-N -1 3 321.772 2.128 20 30 DEEDHM CCOC1CC(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC001590787652 1076676898 /nfs/dbraw/zinc/67/68/98/1076676898.db2.gz BZJQTCIOIHUZFX-UHFFFAOYSA-N -1 3 321.772 2.128 20 30 DEEDHM CCOc1cc(-c2nnn[n-]2)ccc1OC(=O)CC(C)(C)C#N ZINC001590825518 1076682062 /nfs/dbraw/zinc/68/20/62/1076682062.db2.gz SMYZLVVKZGIVSH-UHFFFAOYSA-N -1 3 315.333 2.111 20 30 DEEDHM CCOc1cc(-c2nn[n-]n2)ccc1OC(=O)CC(C)(C)C#N ZINC001590825518 1076682065 /nfs/dbraw/zinc/68/20/65/1076682065.db2.gz SMYZLVVKZGIVSH-UHFFFAOYSA-N -1 3 315.333 2.111 20 30 DEEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCCCC#N ZINC001591142688 1076712731 /nfs/dbraw/zinc/71/27/31/1076712731.db2.gz 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/nfs/dbraw/zinc/75/08/57/1076750857.db2.gz FHAQJYKKYTVANQ-UHFFFAOYSA-N -1 3 306.329 2.359 20 30 DEEDHM COc1cc(C#N)ccc1NCc1ccccc1-c1nn[n-]n1 ZINC001591508734 1076750859 /nfs/dbraw/zinc/75/08/59/1076750859.db2.gz FHAQJYKKYTVANQ-UHFFFAOYSA-N -1 3 306.329 2.359 20 30 DEEDHM Cc1cc(C(=O)O[C@@H](CC#N)C2CC2)cc(C)c1-c1nnn[n-]1 ZINC001591936245 1076809574 /nfs/dbraw/zinc/80/95/74/1076809574.db2.gz MKWOTYJAQQDSFI-ZDUSSCGKSA-N -1 3 311.345 2.333 20 30 DEEDHM Cc1cc(C(=O)O[C@@H](CC#N)C2CC2)cc(C)c1-c1nn[n-]n1 ZINC001591936245 1076809579 /nfs/dbraw/zinc/80/95/79/1076809579.db2.gz MKWOTYJAQQDSFI-ZDUSSCGKSA-N -1 3 311.345 2.333 20 30 DEEDHM Cc1cc(C=C2CCc3nn(C)cc3C2=O)ccc1-c1nnn[n-]1 ZINC001591959600 1076816292 /nfs/dbraw/zinc/81/62/92/1076816292.db2.gz SJCHZXIAIGWRKX-XYOKQWHBSA-N -1 3 320.356 2.121 20 30 DEEDHM Cc1cc(C=C2CCc3nn(C)cc3C2=O)ccc1-c1nn[n-]n1 ZINC001591959600 1076816297 /nfs/dbraw/zinc/81/62/97/1076816297.db2.gz SJCHZXIAIGWRKX-XYOKQWHBSA-N -1 3 320.356 2.121 20 30 DEEDHM Cc1cc(NC(=O)c2ccccc2CC#N)cc(-c2nnn[n-]2)c1 ZINC001592031089 1076832482 /nfs/dbraw/zinc/83/24/82/1076832482.db2.gz KBKCOWKXGIDGLX-UHFFFAOYSA-N -1 3 318.340 2.494 20 30 DEEDHM Cc1cc(NC(=O)c2ccccc2CC#N)cc(-c2nn[n-]n2)c1 ZINC001592031089 1076832487 /nfs/dbraw/zinc/83/24/87/1076832487.db2.gz KBKCOWKXGIDGLX-UHFFFAOYSA-N -1 3 318.340 2.494 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(C)CC(C)(C)C#N ZINC001592104411 1076848251 /nfs/dbraw/zinc/84/82/51/1076848251.db2.gz VHHNKBVVWMJRGT-UHFFFAOYSA-N -1 3 313.365 2.189 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(C)CC(C)(C)C#N ZINC001592104411 1076848256 /nfs/dbraw/zinc/84/82/56/1076848256.db2.gz VHHNKBVVWMJRGT-UHFFFAOYSA-N -1 3 313.365 2.189 20 30 DEEDHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CON=CC1CC1 ZINC001592626509 1076933926 /nfs/dbraw/zinc/93/39/26/1076933926.db2.gz RLZAIIYANIZOBZ-UHFFFAOYSA-N -1 3 309.276 2.381 20 30 DEEDHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CON=CC1CC1 ZINC001592626509 1076933929 /nfs/dbraw/zinc/93/39/29/1076933929.db2.gz 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DEEDHM N#Cc1ccc(NC(=O)C[C@H]2C=CCCC2)cc1-c1nn[n-]n1 ZINC001592695575 1076954368 /nfs/dbraw/zinc/95/43/68/1076954368.db2.gz WVRZANHNJMHZDM-NSHDSACASA-N -1 3 308.345 2.423 20 30 DEEDHM N#Cc1ccc(OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC001592696870 1076954847 /nfs/dbraw/zinc/95/48/47/1076954847.db2.gz HGONSCGUAZZKLS-YFHOEESVSA-N -1 3 317.308 2.357 20 30 DEEDHM N#Cc1ccc(OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC001592696870 1076954850 /nfs/dbraw/zinc/95/48/50/1076954850.db2.gz HGONSCGUAZZKLS-YFHOEESVSA-N -1 3 317.308 2.357 20 30 DEEDHM N#Cc1csc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)n1 ZINC001592705852 1076956317 /nfs/dbraw/zinc/95/63/17/1076956317.db2.gz JEXGRCDCUWHENN-BJMVGYQFSA-N -1 3 320.337 2.017 20 30 DEEDHM N#Cc1csc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)n1 ZINC001592705852 1076956320 /nfs/dbraw/zinc/95/63/20/1076956320.db2.gz JEXGRCDCUWHENN-BJMVGYQFSA-N -1 3 320.337 2.017 20 30 DEEDHM O=C(OCC#Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC001593281720 1076988420 /nfs/dbraw/zinc/98/84/20/1076988420.db2.gz 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1077751861 /nfs/dbraw/zinc/75/18/61/1077751861.db2.gz JSFSZIXAZQCNRH-UHFFFAOYSA-N -1 3 307.329 2.171 20 30 DEEDHM CC(=NOCCOC(C)C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609061532 1077751864 /nfs/dbraw/zinc/75/18/64/1077751864.db2.gz JSFSZIXAZQCNRH-UHFFFAOYSA-N -1 3 307.329 2.171 20 30 DEEDHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001609090475 1077757040 /nfs/dbraw/zinc/75/70/40/1077757040.db2.gz VGKFGCLQLPZRJW-BBRMVZONSA-N -1 3 310.361 2.359 20 30 DEEDHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001609090475 1077757045 /nfs/dbraw/zinc/75/70/45/1077757045.db2.gz VGKFGCLQLPZRJW-BBRMVZONSA-N -1 3 310.361 2.359 20 30 DEEDHM C#CC[C@H](NCc1sc(C)cc1Br)C(=O)[O-] ZINC001609089631 1077757403 /nfs/dbraw/zinc/75/74/03/1077757403.db2.gz PWPGFDOLHJHJER-VIFPVBQESA-N -1 3 302.193 2.385 20 30 DEEDHM COc1cc(OCC#Cc2ccc(F)cc2)cc(-c2nnn[n-]2)c1 ZINC001609347550 1077838026 /nfs/dbraw/zinc/83/80/26/1077838026.db2.gz BTABUSFHCUGEIL-UHFFFAOYSA-N -1 3 324.315 2.445 20 30 DEEDHM COc1cc(OCC#Cc2ccc(F)cc2)cc(-c2nn[n-]n2)c1 ZINC001609347550 1077838030 /nfs/dbraw/zinc/83/80/30/1077838030.db2.gz BTABUSFHCUGEIL-UHFFFAOYSA-N -1 3 324.315 2.445 20 30 DEEDHM COc1cc(O)ccc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001609346779 1077838146 /nfs/dbraw/zinc/83/81/46/1077838146.db2.gz OIJYELUFRBJJBK-VQHVLOKHSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1cc(O)ccc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001609346779 1077838149 /nfs/dbraw/zinc/83/81/49/1077838149.db2.gz OIJYELUFRBJJBK-VQHVLOKHSA-N -1 3 322.324 2.477 20 30 DEEDHM Fc1cc(NN=Cc2c(F)cc(-c3nnn[n-]3)cc2F)ccn1 ZINC001609489511 1077869487 /nfs/dbraw/zinc/86/94/87/1077869487.db2.gz KXFYDZYWAAQLQJ-UHFFFAOYSA-N -1 3 319.250 2.125 20 30 DEEDHM Fc1cc(NN=Cc2c(F)cc(-c3nn[n-]n3)cc2F)ccn1 ZINC001609489511 1077869489 /nfs/dbraw/zinc/86/94/89/1077869489.db2.gz KXFYDZYWAAQLQJ-UHFFFAOYSA-N -1 3 319.250 2.125 20 30 DEEDHM N#CC1(CCCOc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001609493877 1077870229 /nfs/dbraw/zinc/87/02/29/1077870229.db2.gz QQGLFVDTNSDYJT-UHFFFAOYSA-N 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Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1F ZINC000737236939 598926694 /nfs/dbraw/zinc/92/66/94/598926694.db2.gz VDMTZJZBJKYALO-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1c(C#N)cccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000822015516 607321281 /nfs/dbraw/zinc/32/12/81/607321281.db2.gz LMHKMVQTXBSHLR-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1c(C#N)cccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000822015516 607321282 /nfs/dbraw/zinc/32/12/82/607321282.db2.gz LMHKMVQTXBSHLR-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM O=C(C=Cc1cnn2ccccc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000737804696 598278040 /nfs/dbraw/zinc/27/80/40/598278040.db2.gz DUBMLLGVXRLQJA-CMDGGOBGSA-N -1 3 316.324 2.411 20 30 DEEDHM O=C(C=Cc1cnn2ccccc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000737804696 598278041 /nfs/dbraw/zinc/27/80/41/598278041.db2.gz DUBMLLGVXRLQJA-CMDGGOBGSA-N -1 3 316.324 2.411 20 30 DEEDHM Cc1oc(S(C)(=O)=O)cc1C(=O)[N-]c1sccc1C#N ZINC001361462889 1152645239 /nfs/dbraw/zinc/64/52/39/1152645239.db2.gz QJFLDVPDIHMDLJ-UHFFFAOYSA-N -1 3 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Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000826245619 607700550 /nfs/dbraw/zinc/70/05/50/607700550.db2.gz CYWOILTYAYLBTL-HNNXBMFYSA-N -1 3 324.388 2.377 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000826245619 607700551 /nfs/dbraw/zinc/70/05/51/607700551.db2.gz CYWOILTYAYLBTL-HNNXBMFYSA-N -1 3 324.388 2.377 20 30 DEEDHM C#Cc1cccc(N(C)C(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000819710211 606507198 /nfs/dbraw/zinc/50/71/98/606507198.db2.gz ZHYWIACRHJTGFI-UHFFFAOYSA-N -1 3 309.354 2.186 20 30 DEEDHM C#Cc1cccc(N(C)C(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000819710211 606507199 /nfs/dbraw/zinc/50/71/99/606507199.db2.gz ZHYWIACRHJTGFI-UHFFFAOYSA-N -1 3 309.354 2.186 20 30 DEEDHM N#Cc1csc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822846226 606508478 /nfs/dbraw/zinc/50/84/78/606508478.db2.gz QJNBAMSJPMNFJF-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1csc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822846226 606508479 /nfs/dbraw/zinc/50/84/79/606508479.db2.gz QJNBAMSJPMNFJF-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM C#Cc1cccc(N(C)C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819709854 606893250 /nfs/dbraw/zinc/89/32/50/606893250.db2.gz RQZOYVCQHIWCLY-KRWDZBQOSA-N -1 3 319.368 2.018 20 30 DEEDHM C#Cc1cccc(N(C)C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819709854 606893251 /nfs/dbraw/zinc/89/32/51/606893251.db2.gz RQZOYVCQHIWCLY-KRWDZBQOSA-N -1 3 319.368 2.018 20 30 DEEDHM Fc1ccccc1CCNN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000822795431 606991218 /nfs/dbraw/zinc/99/12/18/606991218.db2.gz AOJYWZQGGXBMPH-UHFFFAOYSA-N -1 3 310.336 2.172 20 30 DEEDHM Fc1ccccc1CCNN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000822795431 606991219 /nfs/dbraw/zinc/99/12/19/606991219.db2.gz AOJYWZQGGXBMPH-UHFFFAOYSA-N -1 3 310.336 2.172 20 30 DEEDHM CCN(C(=O)c1cc(C#N)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380564 607796871 /nfs/dbraw/zinc/79/68/71/607796871.db2.gz RBWPSMREORMHOI-UHFFFAOYSA-N -1 3 324.369 2.467 20 30 DEEDHM CCN(C(=O)c1cc(C#N)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380564 607796872 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N#CCc1ccc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1 ZINC000826382801 608000453 /nfs/dbraw/zinc/00/04/53/608000453.db2.gz VMZFKVOWJSACSH-UHFFFAOYSA-N -1 3 304.313 2.185 20 30 DEEDHM C=C(CC)COC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000823877808 608317915 /nfs/dbraw/zinc/31/79/15/608317915.db2.gz GDYYMXRUKIFXIV-UHFFFAOYSA-N -1 3 304.375 2.468 20 30 DEEDHM C=C(CC)COC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000823877808 608317916 /nfs/dbraw/zinc/31/79/16/608317916.db2.gz GDYYMXRUKIFXIV-UHFFFAOYSA-N -1 3 304.375 2.468 20 30 DEEDHM C#CCCCCC(=O)OCc1cc(-c2nnn[n-]2)ccc1F ZINC000823840725 608322977 /nfs/dbraw/zinc/32/29/77/608322977.db2.gz CIVDOBOESSGBFR-UHFFFAOYSA-N -1 3 302.309 2.243 20 30 DEEDHM C#CCCCCC(=O)OCc1cc(-c2nn[n-]n2)ccc1F ZINC000823840725 608322979 /nfs/dbraw/zinc/32/29/79/608322979.db2.gz CIVDOBOESSGBFR-UHFFFAOYSA-N -1 3 302.309 2.243 20 30 DEEDHM C#C[C@@H](Cc1ccccc1)OC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823838250 608332327 /nfs/dbraw/zinc/33/23/27/608332327.db2.gz MUTBDXGHHLCCSC-INIZCTEOSA-N -1 3 318.336 2.268 20 30 DEEDHM C#C[C@@H](Cc1ccccc1)OC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823838250 608332329 /nfs/dbraw/zinc/33/23/29/608332329.db2.gz MUTBDXGHHLCCSC-INIZCTEOSA-N -1 3 318.336 2.268 20 30 DEEDHM C=CC[C@H](CO)CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000823888743 608411301 /nfs/dbraw/zinc/41/13/01/608411301.db2.gz VDMZGGDGRAQOSN-NSHDSACASA-N -1 3 310.361 2.011 20 30 DEEDHM C=CC[C@H](CO)CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000823888743 608411303 /nfs/dbraw/zinc/41/13/03/608411303.db2.gz VDMZGGDGRAQOSN-NSHDSACASA-N -1 3 310.361 2.011 20 30 DEEDHM Cc1n[nH]c(C)c1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826321932 609270741 /nfs/dbraw/zinc/27/07/41/609270741.db2.gz UYCBYKXFIRRTNC-WAYWQWQTSA-N -1 3 312.308 2.242 20 30 DEEDHM Cc1n[nH]c(C)c1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826321932 609270744 /nfs/dbraw/zinc/27/07/44/609270744.db2.gz UYCBYKXFIRRTNC-WAYWQWQTSA-N -1 3 312.308 2.242 20 30 DEEDHM CCC1(C=NNCc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000825165054 609277601 /nfs/dbraw/zinc/27/76/01/609277601.db2.gz QQRITCPPGRPNTC-UHFFFAOYSA-N -1 3 314.393 2.149 20 30 DEEDHM CCC1(C=NNCc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000825165054 609277603 /nfs/dbraw/zinc/27/76/03/609277603.db2.gz QQRITCPPGRPNTC-UHFFFAOYSA-N -1 3 314.393 2.149 20 30 DEEDHM COc1ccc(C#N)cc1NCc1cc(-c2nnn[n-]2)cs1 ZINC000826187401 609484166 /nfs/dbraw/zinc/48/41/66/609484166.db2.gz OOIHIBLVYVAFHK-UHFFFAOYSA-N -1 3 312.358 2.421 20 30 DEEDHM COc1ccc(C#N)cc1NCc1cc(-c2nn[n-]n2)cs1 ZINC000826187401 609484168 /nfs/dbraw/zinc/48/41/68/609484168.db2.gz OOIHIBLVYVAFHK-UHFFFAOYSA-N -1 3 312.358 2.421 20 30 DEEDHM N#Cc1cc(NC(=O)C23CCC(CC2)C3)ccc1-c1nnn[n-]1 ZINC000826384317 609503319 /nfs/dbraw/zinc/50/33/19/609503319.db2.gz QLMKPGJBMPMWLU-UHFFFAOYSA-N -1 3 308.345 2.257 20 30 DEEDHM N#Cc1cc(NC(=O)C23CCC(CC2)C3)ccc1-c1nn[n-]n1 ZINC000826384317 609503321 /nfs/dbraw/zinc/50/33/21/609503321.db2.gz QLMKPGJBMPMWLU-UHFFFAOYSA-N -1 3 308.345 2.257 20 30 DEEDHM C(=NNc1ccc2n[nH]cc2c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823861570 609520176 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/nfs/dbraw/zinc/45/05/99/1076450599.db2.gz FWQYCIDJRYEOPR-INIZCTEOSA-N -1 3 315.377 2.094 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588493431 1076450602 /nfs/dbraw/zinc/45/06/02/1076450602.db2.gz FWQYCIDJRYEOPR-INIZCTEOSA-N -1 3 315.377 2.094 20 30 DEEDHM C=CC[C@H](CC)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001588541903 1076452898 /nfs/dbraw/zinc/45/28/98/1076452898.db2.gz UQJSHOLCGFWDLG-VIFPVBQESA-N -1 3 307.304 2.229 20 30 DEEDHM C=CC[C@H](CC)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001588541903 1076452901 /nfs/dbraw/zinc/45/29/01/1076452901.db2.gz UQJSHOLCGFWDLG-VIFPVBQESA-N -1 3 307.304 2.229 20 30 DEEDHM C=CC[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588539743 1076453041 /nfs/dbraw/zinc/45/30/41/1076453041.db2.gz XPGBYIOEHNRBEY-WDEREUQCSA-N -1 3 302.334 2.142 20 30 DEEDHM C=CC[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588539743 1076453044 /nfs/dbraw/zinc/45/30/44/1076453044.db2.gz XPGBYIOEHNRBEY-WDEREUQCSA-N -1 3 302.334 2.142 20 30 DEEDHM C=CCC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)n1C)C1CC1 ZINC001588580028 1076456179 /nfs/dbraw/zinc/45/61/79/1076456179.db2.gz XRAGKEKJLGDTPY-CYBMUJFWSA-N -1 3 301.350 2.107 20 30 DEEDHM C=CCC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)n1C)C1CC1 ZINC001588580028 1076456181 /nfs/dbraw/zinc/45/61/81/1076456181.db2.gz XRAGKEKJLGDTPY-CYBMUJFWSA-N -1 3 301.350 2.107 20 30 DEEDHM C=CCC[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588583407 1076456207 /nfs/dbraw/zinc/45/62/07/1076456207.db2.gz XANQTSBOBMAXLW-LBPRGKRZSA-N -1 3 313.365 2.224 20 30 DEEDHM C=CCC[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588583407 1076456211 /nfs/dbraw/zinc/45/62/11/1076456211.db2.gz XANQTSBOBMAXLW-LBPRGKRZSA-N -1 3 313.365 2.224 20 30 DEEDHM C=CCCO[C@H](C)C(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001588610791 1076457143 /nfs/dbraw/zinc/45/71/43/1076457143.db2.gz NORVKYWYABVSGA-SECBINFHSA-N -1 3 307.379 2.156 20 30 DEEDHM C=CCCO[C@H](C)C(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001588610791 1076457146 /nfs/dbraw/zinc/45/71/46/1076457146.db2.gz NORVKYWYABVSGA-SECBINFHSA-N -1 3 307.379 2.156 20 30 DEEDHM C=CCCNC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588609558 1076457293 /nfs/dbraw/zinc/45/72/93/1076457293.db2.gz QFOIWLLABOCJIR-UHFFFAOYSA-N -1 3 311.389 2.371 20 30 DEEDHM C=CCCNC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588609558 1076457295 /nfs/dbraw/zinc/45/72/95/1076457295.db2.gz QFOIWLLABOCJIR-UHFFFAOYSA-N -1 3 311.389 2.371 20 30 DEEDHM C=CCCN(C)C(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001588603849 1076457402 /nfs/dbraw/zinc/45/74/02/1076457402.db2.gz YHHOOPKQHIGABO-UHFFFAOYSA-N -1 3 320.328 2.054 20 30 DEEDHM C=CCCN(C)C(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001588603849 1076457403 /nfs/dbraw/zinc/45/74/03/1076457403.db2.gz YHHOOPKQHIGABO-UHFFFAOYSA-N -1 3 320.328 2.054 20 30 DEEDHM C=CCCCCNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588596764 1076457405 /nfs/dbraw/zinc/45/74/05/1076457405.db2.gz YZEIHWVJEGIQEL-UHFFFAOYSA-N -1 3 304.329 2.484 20 30 DEEDHM C=CCCCCNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588596764 1076457406 /nfs/dbraw/zinc/45/74/06/1076457406.db2.gz YZEIHWVJEGIQEL-UHFFFAOYSA-N -1 3 304.329 2.484 20 30 DEEDHM C=CCCN(C)c1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001588602876 1076457623 /nfs/dbraw/zinc/45/76/23/1076457623.db2.gz AIESCOWDFUXYSL-UHFFFAOYSA-N -1 3 309.171 2.037 20 30 DEEDHM C=CCCN(C)c1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001588602876 1076457626 /nfs/dbraw/zinc/45/76/26/1076457626.db2.gz AIESCOWDFUXYSL-UHFFFAOYSA-N -1 3 309.171 2.037 20 30 DEEDHM C=CCNC(=S)N(c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC001588663671 1076460620 /nfs/dbraw/zinc/46/06/20/1076460620.db2.gz OTOCLOMHLZFFEM-UHFFFAOYSA-N -1 3 302.407 2.142 20 30 DEEDHM C=CCNC(=S)N(c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC001588663671 1076460624 /nfs/dbraw/zinc/46/06/24/1076460624.db2.gz OTOCLOMHLZFFEM-UHFFFAOYSA-N -1 3 302.407 2.142 20 30 DEEDHM CC(C)(C#N)CCCOC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589034123 1076472251 /nfs/dbraw/zinc/47/22/51/1076472251.db2.gz RADVWLUVUQBFCU-UHFFFAOYSA-N -1 3 317.324 2.493 20 30 DEEDHM CC(C)(C#N)CCCOC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589034123 1076472253 /nfs/dbraw/zinc/47/22/53/1076472253.db2.gz RADVWLUVUQBFCU-UHFFFAOYSA-N -1 3 317.324 2.493 20 30 DEEDHM CC(C)(CC#N)COC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001589267080 1076482354 /nfs/dbraw/zinc/48/23/54/1076482354.db2.gz HTFCMYXGJIVKLE-UHFFFAOYSA-N -1 3 303.297 2.102 20 30 DEEDHM CC(C)(CC#N)COC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001589267080 1076482357 /nfs/dbraw/zinc/48/23/57/1076482357.db2.gz HTFCMYXGJIVKLE-UHFFFAOYSA-N -1 3 303.297 2.102 20 30 DEEDHM CC(C)C[C@@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589542246 1076498266 /nfs/dbraw/zinc/49/82/66/1076498266.db2.gz VMBCXYFVIMADHI-JJEJIETFSA-N -1 3 324.388 2.324 20 30 DEEDHM CC(C)C[C@@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589542246 1076498269 /nfs/dbraw/zinc/49/82/69/1076498269.db2.gz VMBCXYFVIMADHI-JJEJIETFSA-N -1 3 324.388 2.324 20 30 DEEDHM CC(C)N(CCC#N)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589681917 1076505771 /nfs/dbraw/zinc/50/57/71/1076505771.db2.gz BIJVFQDPJOVVBP-UHFFFAOYSA-N -1 3 318.768 2.284 20 30 DEEDHM CC(C)N(CCC#N)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589681917 1076505773 /nfs/dbraw/zinc/50/57/73/1076505773.db2.gz BIJVFQDPJOVVBP-UHFFFAOYSA-N -1 3 318.768 2.284 20 30 DEEDHM CC1(O)CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC001590150399 1076574962 /nfs/dbraw/zinc/57/49/62/1076574962.db2.gz JVEIOKCCSVRZFU-UHFFFAOYSA-N -1 3 321.772 2.008 20 30 DEEDHM CC1(O)CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC001590150399 1076574964 /nfs/dbraw/zinc/57/49/64/1076574964.db2.gz JVEIOKCCSVRZFU-UHFFFAOYSA-N -1 3 321.772 2.008 20 30 DEEDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001590222559 1076589360 /nfs/dbraw/zinc/58/93/60/1076589360.db2.gz KONNDSBFPVNRKE-UYUMYWFVSA-N -1 3 322.372 2.359 20 30 DEEDHM C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001590222559 1076589364 /nfs/dbraw/zinc/58/93/64/1076589364.db2.gz KONNDSBFPVNRKE-UYUMYWFVSA-N -1 3 322.372 2.359 20 30 DEEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C#CC(C)(C)C ZINC001590747256 1076673590 /nfs/dbraw/zinc/67/35/90/1076673590.db2.gz XFUJNKJQVQHDNH-UHFFFAOYSA-N -1 3 312.377 2.287 20 30 DEEDHM CCc1noc(C)c1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590934530 1076697402 /nfs/dbraw/zinc/69/74/02/1076697402.db2.gz PAFUQDSVXVGENL-UHFFFAOYSA-N -1 3 309.333 2.209 20 30 DEEDHM CCc1noc(C)c1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590934530 1076697404 /nfs/dbraw/zinc/69/74/04/1076697404.db2.gz PAFUQDSVXVGENL-UHFFFAOYSA-N -1 3 309.333 2.209 20 30 DEEDHM COc1cc(C#N)ccc1NCc1cccc(-c2nnn[n-]2)c1F ZINC001591509464 1076751481 /nfs/dbraw/zinc/75/14/81/1076751481.db2.gz ZJWSHUNAKSDIMC-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1cc(C#N)ccc1NCc1cccc(-c2nn[n-]n2)c1F ZINC001591509464 1076751484 /nfs/dbraw/zinc/75/14/84/1076751484.db2.gz ZJWSHUNAKSDIMC-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1cc(CN=Cc2ccccc2O)ccc1-c1nnn[n-]1 ZINC001591527067 1076753466 /nfs/dbraw/zinc/75/34/66/1076753466.db2.gz GPJFHVAKYOSGRL-LICLKQGHSA-N -1 3 309.329 2.200 20 30 DEEDHM COc1cc(CN=Cc2ccccc2O)ccc1-c1nn[n-]n1 ZINC001591527067 1076753473 /nfs/dbraw/zinc/75/34/73/1076753473.db2.gz GPJFHVAKYOSGRL-LICLKQGHSA-N -1 3 309.329 2.200 20 30 DEEDHM COc1cc(C=NN2CCCC[C@H]2C)ccc1-c1nnn[n-]1 ZINC001591522676 1076754139 /nfs/dbraw/zinc/75/41/39/1076754139.db2.gz JQGYJAMCKYPTCZ-LLVKDONJSA-N -1 3 300.366 2.084 20 30 DEEDHM COc1cc(C=NN2CCCC[C@H]2C)ccc1-c1nn[n-]n1 ZINC001591522676 1076754141 /nfs/dbraw/zinc/75/41/41/1076754141.db2.gz JQGYJAMCKYPTCZ-LLVKDONJSA-N -1 3 300.366 2.084 20 30 DEEDHM COc1cc(Oc2c(C#N)cccc2C#N)ccc1-c1nnn[n-]1 ZINC001591553463 1076757875 /nfs/dbraw/zinc/75/78/75/1076757875.db2.gz HTMYNDYBBDFASU-UHFFFAOYSA-N -1 3 318.296 2.411 20 30 DEEDHM COc1cc(Oc2c(C#N)cccc2C#N)ccc1-c1nn[n-]n1 ZINC001591553463 1076757877 /nfs/dbraw/zinc/75/78/77/1076757877.db2.gz HTMYNDYBBDFASU-UHFFFAOYSA-N -1 3 318.296 2.411 20 30 DEEDHM COc1ccc(O)c(C=NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001591618784 1076765892 /nfs/dbraw/zinc/76/58/92/1076765892.db2.gz PVNUDAJWISKNIJ-LICLKQGHSA-N -1 3 309.329 2.200 20 30 DEEDHM COc1ccc(O)c(C=NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001591618784 1076765894 /nfs/dbraw/zinc/76/58/94/1076765894.db2.gz PVNUDAJWISKNIJ-LICLKQGHSA-N -1 3 309.329 2.200 20 30 DEEDHM C[Si](C)(C)C#CCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591780058 1076783567 /nfs/dbraw/zinc/78/35/67/1076783567.db2.gz RXMQZWGBUTYESU-UHFFFAOYSA-N -1 3 316.397 2.068 20 30 DEEDHM C[Si](C)(C)C#CCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591780058 1076783571 /nfs/dbraw/zinc/78/35/71/1076783571.db2.gz RXMQZWGBUTYESU-UHFFFAOYSA-N -1 3 316.397 2.068 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C(=O)OCC1(CC#N)CC1 ZINC001591839664 1076791284 /nfs/dbraw/zinc/79/12/84/1076791284.db2.gz PGHMZSZFEQRGBH-UHFFFAOYSA-N -1 3 311.345 2.334 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C(=O)OCC1(CC#N)CC1 ZINC001591839664 1076791288 /nfs/dbraw/zinc/79/12/88/1076791288.db2.gz PGHMZSZFEQRGBH-UHFFFAOYSA-N -1 3 311.345 2.334 20 30 DEEDHM Cc1ccc(C#N)cc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001592113077 1076850256 /nfs/dbraw/zinc/85/02/56/1076850256.db2.gz DSGNPCPTXCNYPH-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1ccc(C#N)cc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001592113077 1076850260 /nfs/dbraw/zinc/85/02/60/1076850260.db2.gz DSGNPCPTXCNYPH-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1-c1nnn[n-]1 ZINC001592130031 1076854720 /nfs/dbraw/zinc/85/47/20/1076854720.db2.gz RGCVJSYVDOSUEZ-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1-c1nn[n-]n1 ZINC001592130031 1076854722 /nfs/dbraw/zinc/85/47/22/1076854722.db2.gz RGCVJSYVDOSUEZ-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(N(C)C[C@H](C)C#N)c2c1 ZINC001592207557 1076875235 /nfs/dbraw/zinc/87/52/35/1076875235.db2.gz HOTCCRUTKFFSIM-LLVKDONJSA-N -1 3 307.361 2.319 20 30 DEEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(N(C)C[C@H](C)C#N)c2c1 ZINC001592207557 1076875238 /nfs/dbraw/zinc/87/52/38/1076875238.db2.gz HOTCCRUTKFFSIM-LLVKDONJSA-N -1 3 307.361 2.319 20 30 DEEDHM Cc1nc(C)c(C=C2CCc3cc(-c4nnn[n-]4)cnc3C2=O)o1 ZINC001592357206 1076903052 /nfs/dbraw/zinc/90/30/52/1076903052.db2.gz LCAKXCXKMSSFHW-WDZFZDKYSA-N -1 3 322.328 2.079 20 30 DEEDHM Cc1nc(C)c(C=C2CCc3cc(-c4nn[n-]n4)cnc3C2=O)o1 ZINC001592357206 1076903054 /nfs/dbraw/zinc/90/30/54/1076903054.db2.gz LCAKXCXKMSSFHW-WDZFZDKYSA-N -1 3 322.328 2.079 20 30 DEEDHM FC(F)(F)c1cc(-c2nn[n-]n2)ccc1NN=Cc1cc[nH]n1 ZINC001592620486 1076933314 /nfs/dbraw/zinc/93/33/14/1076933314.db2.gz PCABEGLZKUXXBR-UHFFFAOYSA-N -1 3 322.254 2.055 20 30 DEEDHM FC1(F)CCC(NN=Cc2ccccc2-c2nnn[n-]2)CC1 ZINC001592627774 1076935385 /nfs/dbraw/zinc/93/53/85/1076935385.db2.gz FCXJRIQAFHRJFI-UHFFFAOYSA-N -1 3 306.320 2.368 20 30 DEEDHM FC1(F)CCC(NN=Cc2ccccc2-c2nn[n-]n2)CC1 ZINC001592627774 1076935386 /nfs/dbraw/zinc/93/53/86/1076935386.db2.gz FCXJRIQAFHRJFI-UHFFFAOYSA-N -1 3 306.320 2.368 20 30 DEEDHM N#CC1(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC2(CC2)C1 ZINC001592666458 1076948181 /nfs/dbraw/zinc/94/81/81/1076948181.db2.gz FUIWSRDZDFCNHH-UHFFFAOYSA-N -1 3 312.308 2.028 20 30 DEEDHM N#CC1(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC2(CC2)C1 ZINC001592666458 1076948184 /nfs/dbraw/zinc/94/81/84/1076948184.db2.gz FUIWSRDZDFCNHH-UHFFFAOYSA-N -1 3 312.308 2.028 20 30 DEEDHM N#CC1(Cn2cc(-c3ccc(-c4nnn[n-]4)cc3)nn2)CCCC1 ZINC001592670675 1076949758 /nfs/dbraw/zinc/94/97/58/1076949758.db2.gz KLZGVAJQIYYNDZ-UHFFFAOYSA-N -1 3 320.360 2.209 20 30 DEEDHM N#CC1(Cn2cc(-c3ccc(-c4nn[n-]n4)cc3)nn2)CCCC1 ZINC001592670675 1076949762 /nfs/dbraw/zinc/94/97/62/1076949762.db2.gz KLZGVAJQIYYNDZ-UHFFFAOYSA-N -1 3 320.360 2.209 20 30 DEEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2sccc2-c2nnn[n-]2)C1 ZINC001592672952 1076950232 /nfs/dbraw/zinc/95/02/32/1076950232.db2.gz RHADABWOYWWBED-RKDXNWHRSA-N -1 3 303.347 2.167 20 30 DEEDHM N#CC[C@@H]1CC[C@H](Nc2nc3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC001592681407 1076951450 /nfs/dbraw/zinc/95/14/50/1076951450.db2.gz APTDKCVWDTUOLM-JQWIXIFHSA-N -1 3 309.377 2.245 20 30 DEEDHM N#CC[C@@H]1CC[C@H](Nc2nc3c(cc2-c2nn[n-]n2)CCC3)C1 ZINC001592681407 1076951456 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N#Cc1ccc(NC(=O)Nc2cccc(Cc3nnn[n-]3)c2)cc1 ZINC001657570446 1080178481 /nfs/dbraw/zinc/17/84/81/1080178481.db2.gz FFMAPZJGSUCVSF-UHFFFAOYSA-N -1 3 319.328 2.306 20 30 DEEDHM N#Cc1ccc(NC(=O)Nc2cccc(Cc3nn[n-]n3)c2)cc1 ZINC001657570446 1080178484 /nfs/dbraw/zinc/17/84/84/1080178484.db2.gz FFMAPZJGSUCVSF-UHFFFAOYSA-N -1 3 319.328 2.306 20 30 DEEDHM C=CCCC(C)(C)C[N-]S(=O)(=O)c1c(C)nn2cccnc12 ZINC001665417697 1081026704 /nfs/dbraw/zinc/02/67/04/1081026704.db2.gz BDZIWCWTUKKBIF-UHFFFAOYSA-N -1 3 322.434 2.308 20 30 DEEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cccc(Br)n1 ZINC001668885758 1081406833 /nfs/dbraw/zinc/40/68/33/1081406833.db2.gz LYVGYRQUTOVOLZ-VIFPVBQESA-N -1 3 319.224 2.477 20 30 DEEDHM CC#CCCCC(=O)N[C@H](C)[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001280191255 1081493527 /nfs/dbraw/zinc/49/35/27/1081493527.db2.gz VTMGMILQBDDDFM-ZIAGYGMSSA-N -1 3 316.401 2.209 20 30 DEEDHM CCCN1C[C@H](C(=O)N([O-])Cc2ccccc2Cl)CC1=O ZINC001649046401 1084038625 /nfs/dbraw/zinc/03/86/25/1084038625.db2.gz 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/nfs/dbraw/zinc/75/15/76/1076751576.db2.gz SZPAXORNZPVEMD-UHFFFAOYSA-N -1 3 313.342 2.387 20 30 DEEDHM COc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C#N)s1 ZINC001591503822 1076751580 /nfs/dbraw/zinc/75/15/80/1076751580.db2.gz SZPAXORNZPVEMD-UHFFFAOYSA-N -1 3 313.342 2.387 20 30 DEEDHM COc1cc(Oc2ccc(-c3nnn[n-]3)c(C)n2)ccc1C#N ZINC001591555530 1076758839 /nfs/dbraw/zinc/75/88/39/1076758839.db2.gz WWAMEEOXMFWLNP-UHFFFAOYSA-N -1 3 308.301 2.243 20 30 DEEDHM COc1cc(Oc2ccc(-c3nn[n-]n3)c(C)n2)ccc1C#N ZINC001591555530 1076758843 /nfs/dbraw/zinc/75/88/43/1076758843.db2.gz WWAMEEOXMFWLNP-UHFFFAOYSA-N -1 3 308.301 2.243 20 30 DEEDHM COc1ccc(-c2nnn[n-]2)cc1NCc1csc(C#N)c1 ZINC001591568624 1076759375 /nfs/dbraw/zinc/75/93/75/1076759375.db2.gz FVKHAPJPKYAQCW-UHFFFAOYSA-N -1 3 312.358 2.421 20 30 DEEDHM COc1ccc(-c2nn[n-]n2)cc1NCc1csc(C#N)c1 ZINC001591568624 1076759380 /nfs/dbraw/zinc/75/93/80/1076759380.db2.gz FVKHAPJPKYAQCW-UHFFFAOYSA-N -1 3 312.358 2.421 20 30 DEEDHM Cc1cc(C(=O)N(C[C@H](C)C#N)C2CC2)cc(C)c1-c1nnn[n-]1 ZINC001591909215 1076806888 /nfs/dbraw/zinc/80/68/88/1076806888.db2.gz WIAWEHODOLSNHW-SNVBAGLBSA-N -1 3 324.388 2.248 20 30 DEEDHM Cc1cc(C(=O)N(C[C@H](C)C#N)C2CC2)cc(C)c1-c1nn[n-]n1 ZINC001591909215 1076806893 /nfs/dbraw/zinc/80/68/93/1076806893.db2.gz WIAWEHODOLSNHW-SNVBAGLBSA-N -1 3 324.388 2.248 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1cccc(CC#N)c1 ZINC001592100627 1076846964 /nfs/dbraw/zinc/84/69/64/1076846964.db2.gz VHVIHNIMPVXBLZ-UHFFFAOYSA-N -1 3 318.340 2.494 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1cccc(CC#N)c1 ZINC001592100627 1076846969 /nfs/dbraw/zinc/84/69/69/1076846969.db2.gz VHVIHNIMPVXBLZ-UHFFFAOYSA-N -1 3 318.340 2.494 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC001592104121 1076847579 /nfs/dbraw/zinc/84/75/79/1076847579.db2.gz QVHTVUWVHKBYCQ-UHFFFAOYSA-N -1 3 318.340 2.228 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Cc1ccc(C#N)cc1 ZINC001592104121 1076847586 /nfs/dbraw/zinc/84/75/86/1076847586.db2.gz QVHTVUWVHKBYCQ-UHFFFAOYSA-N -1 3 318.340 2.228 20 30 DEEDHM Cc1ccc(C(=O)O[C@@H]2CCCC[C@H]2C#N)cc1-c1nnn[n-]1 ZINC001592132701 1076856034 /nfs/dbraw/zinc/85/60/34/1076856034.db2.gz CJBLHHLWLFFUJY-GXTWGEPZSA-N -1 3 311.345 2.414 20 30 DEEDHM Cc1ccc(C(=O)O[C@@H]2CCCC[C@H]2C#N)cc1-c1nn[n-]n1 ZINC001592132701 1076856037 /nfs/dbraw/zinc/85/60/37/1076856037.db2.gz CJBLHHLWLFFUJY-GXTWGEPZSA-N -1 3 311.345 2.414 20 30 DEEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CCC[C@@H](C#N)C1 ZINC001592242050 1076880746 /nfs/dbraw/zinc/88/07/46/1076880746.db2.gz PEFQCHGUABALPE-LBPRGKRZSA-N -1 3 319.372 2.463 20 30 DEEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CCC[C@@H](C#N)C1 ZINC001592242050 1076880751 /nfs/dbraw/zinc/88/07/51/1076880751.db2.gz PEFQCHGUABALPE-LBPRGKRZSA-N -1 3 319.372 2.463 20 30 DEEDHM Cc1nsc(N[C@H]2Cc3ccc(C#N)cc3C2)c1-c1nnn[n-]1 ZINC001592486495 1076918788 /nfs/dbraw/zinc/91/87/88/1076918788.db2.gz NYLMNLBPZAFLET-LBPRGKRZSA-N -1 3 323.385 2.083 20 30 DEEDHM Cn1cc(N=NC2CCCCc3cc(-c4nn[n-]n4)ccc32)cn1 ZINC001592574620 1076930046 /nfs/dbraw/zinc/93/00/46/1076930046.db2.gz MGTJZUHUYVDYQU-UHFFFAOYSA-N -1 3 322.376 2.143 20 30 DEEDHM N#C[C@@H]1CCCN(Cc2cc(Cl)cc(-c3nnn[n-]3)c2)C1 ZINC001592672438 1076949590 /nfs/dbraw/zinc/94/95/90/1076949590.db2.gz IINOXNIZSXAFHP-JTQLQIEISA-N -1 3 302.769 2.256 20 30 DEEDHM N#C[C@@H]1CCCN(Cc2cc(Cl)cc(-c3nn[n-]n3)c2)C1 ZINC001592672438 1076949592 /nfs/dbraw/zinc/94/95/92/1076949592.db2.gz IINOXNIZSXAFHP-JTQLQIEISA-N -1 3 302.769 2.256 20 30 DEEDHM N#CC1(c2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)CCCC1 ZINC001592671498 1076949666 /nfs/dbraw/zinc/94/96/66/1076949666.db2.gz PTYBTYUYHZAHTQ-UHFFFAOYSA-N -1 3 307.317 2.252 20 30 DEEDHM N#CC1(c2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)CCCC1 ZINC001592671498 1076949669 /nfs/dbraw/zinc/94/96/69/1076949669.db2.gz PTYBTYUYHZAHTQ-UHFFFAOYSA-N -1 3 307.317 2.252 20 30 DEEDHM N#CCCCCC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001592674637 1076950650 /nfs/dbraw/zinc/95/06/50/1076950650.db2.gz HFRSSPLGDZOWRV-UHFFFAOYSA-N -1 3 306.276 2.167 20 30 DEEDHM N#CCCCCC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001592674637 1076950653 /nfs/dbraw/zinc/95/06/53/1076950653.db2.gz HFRSSPLGDZOWRV-UHFFFAOYSA-N -1 3 306.276 2.167 20 30 DEEDHM N#CCCCCOC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001592676175 1076952054 /nfs/dbraw/zinc/95/20/54/1076952054.db2.gz DDTJUGZWOQXZBU-UHFFFAOYSA-N -1 3 305.725 2.371 20 30 DEEDHM N#CCCCCOC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001592676175 1076952057 /nfs/dbraw/zinc/95/20/57/1076952057.db2.gz DDTJUGZWOQXZBU-UHFFFAOYSA-N -1 3 305.725 2.371 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1Cc2cccc(O)c2C1 ZINC001592699317 1076953947 /nfs/dbraw/zinc/95/39/47/1076953947.db2.gz VYNRGQGNCGIIKV-GFCCVEGCSA-N -1 3 318.340 2.023 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1Cc2cccc(O)c2C1 ZINC001592699317 1076953951 /nfs/dbraw/zinc/95/39/51/1076953951.db2.gz VYNRGQGNCGIIKV-GFCCVEGCSA-N -1 3 318.340 2.023 20 30 DEEDHM N#Cc1ccc(Sc2cccc(-c3nnn[n-]3)c2Cl)nn1 ZINC001592697708 1076954393 /nfs/dbraw/zinc/95/43/93/1076954393.db2.gz OETAVLAYKBFIHA-UHFFFAOYSA-N -1 3 315.749 2.333 20 30 DEEDHM N#Cc1ccc(Sc2cccc(-c3nn[n-]n3)c2Cl)nn1 ZINC001592697708 1076954396 /nfs/dbraw/zinc/95/43/96/1076954396.db2.gz OETAVLAYKBFIHA-UHFFFAOYSA-N -1 3 315.749 2.333 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCCC(F)(F)CC1 ZINC001592698999 1076954830 /nfs/dbraw/zinc/95/48/30/1076954830.db2.gz NDJWIOXZVMIWMI-UHFFFAOYSA-N -1 3 304.304 2.364 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCCC(F)(F)CC1 ZINC001592698999 1076954834 /nfs/dbraw/zinc/95/48/34/1076954834.db2.gz NDJWIOXZVMIWMI-UHFFFAOYSA-N -1 3 304.304 2.364 20 30 DEEDHM N#Cc1cnnc(N[C@H]2CCCc3cc(-c4nnn[n-]4)ccc32)c1 ZINC001592703802 1076955741 /nfs/dbraw/zinc/95/57/41/1076955741.db2.gz BPXGCJXCXCMQBV-AWEZNQCLSA-N -1 3 318.344 2.018 20 30 DEEDHM N#Cc1cnnc(N[C@H]2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001592703802 1076955744 /nfs/dbraw/zinc/95/57/44/1076955744.db2.gz BPXGCJXCXCMQBV-AWEZNQCLSA-N -1 3 318.344 2.018 20 30 DEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCO2 ZINC001592791468 1076959895 /nfs/dbraw/zinc/95/98/95/1076959895.db2.gz JXBFQCXGEWYVJU-CLTKARDFSA-N -1 3 320.308 2.492 20 30 DEEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCO2 ZINC001592791468 1076959898 /nfs/dbraw/zinc/95/98/98/1076959898.db2.gz JXBFQCXGEWYVJU-CLTKARDFSA-N -1 3 320.308 2.492 20 30 DEEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cn2ccccc2n1 ZINC001592793331 1076960185 /nfs/dbraw/zinc/96/01/85/1076960185.db2.gz AGBYOOHZBXJBAO-FPLPWBNLSA-N -1 3 316.324 2.411 20 30 DEEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cn2ccccc2n1 ZINC001592793331 1076960190 /nfs/dbraw/zinc/96/01/90/1076960190.db2.gz AGBYOOHZBXJBAO-FPLPWBNLSA-N -1 3 316.324 2.411 20 30 DEEDHM N#Cc1cccc(CN2CCC(O)(C3(C(=O)[O-])CCC3)CC2)c1 ZINC001601123077 1077344157 /nfs/dbraw/zinc/34/41/57/1077344157.db2.gz WZYOAFVMEXOEEI-UHFFFAOYSA-N -1 3 314.385 2.140 20 30 DEEDHM C=CC(C)(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001609052111 1077749041 /nfs/dbraw/zinc/74/90/41/1077749041.db2.gz MNAIGTGESXPUFY-UHFFFAOYSA-N -1 3 301.350 2.416 20 30 DEEDHM C=CC(C)(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001609052111 1077749045 /nfs/dbraw/zinc/74/90/45/1077749045.db2.gz MNAIGTGESXPUFY-UHFFFAOYSA-N -1 3 301.350 2.416 20 30 DEEDHM C=CC[C@@H](C)NC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001609052543 1077749377 /nfs/dbraw/zinc/74/93/77/1077749377.db2.gz GPXCGERGAQIMOG-YGRLFVJLSA-N -1 3 312.377 2.118 20 30 DEEDHM C=CC[C@@H](C)NC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001609052543 1077749385 /nfs/dbraw/zinc/74/93/85/1077749385.db2.gz GPXCGERGAQIMOG-YGRLFVJLSA-N -1 3 312.377 2.118 20 30 DEEDHM C=CCC[C@H](CO)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001609053616 1077750231 /nfs/dbraw/zinc/75/02/31/1077750231.db2.gz NHZQNACAZCNSBW-LLVKDONJSA-N -1 3 310.361 2.154 20 30 DEEDHM C=CCC[C@H](CO)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001609053616 1077750237 /nfs/dbraw/zinc/75/02/37/1077750237.db2.gz NHZQNACAZCNSBW-LLVKDONJSA-N -1 3 310.361 2.154 20 30 DEEDHM C[C@H](C#N)OCCSCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609068209 1077753767 /nfs/dbraw/zinc/75/37/67/1077753767.db2.gz MYURRFQTWMSTAZ-SECBINFHSA-N -1 3 307.354 2.168 20 30 DEEDHM C[C@H](C#N)OCCSCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609068209 1077753771 /nfs/dbraw/zinc/75/37/71/1077753771.db2.gz MYURRFQTWMSTAZ-SECBINFHSA-N -1 3 307.354 2.168 20 30 DEEDHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001609090478 1077758076 /nfs/dbraw/zinc/75/80/76/1077758076.db2.gz VGKFGCLQLPZRJW-XJKSGUPXSA-N -1 3 310.361 2.359 20 30 DEEDHM CC(C)[C@@]1(C)C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001609090478 1077758079 /nfs/dbraw/zinc/75/80/79/1077758079.db2.gz VGKFGCLQLPZRJW-XJKSGUPXSA-N -1 3 310.361 2.359 20 30 DEEDHM C[C@@H](CC#N)NN=Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001609108368 1077763682 /nfs/dbraw/zinc/76/36/82/1077763682.db2.gz LQIZJKCFMYYXNJ-QMMMGPOBSA-N -1 3 323.282 2.111 20 30 DEEDHM C[C@@H](CC#N)NN=Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001609108368 1077763683 /nfs/dbraw/zinc/76/36/83/1077763683.db2.gz LQIZJKCFMYYXNJ-QMMMGPOBSA-N -1 3 323.282 2.111 20 30 DEEDHM C[C@H](NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)C(F)(F)F ZINC001609125971 1077768394 /nfs/dbraw/zinc/76/83/94/1077768394.db2.gz YHHJUTYGKLQNFK-QMMMGPOBSA-N -1 3 324.310 2.448 20 30 DEEDHM C[C@H](NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)C(F)(F)F ZINC001609125971 1077768396 /nfs/dbraw/zinc/76/83/96/1077768396.db2.gz YHHJUTYGKLQNFK-QMMMGPOBSA-N -1 3 324.310 2.448 20 30 DEEDHM COc1cc(C#N)cc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC001609339953 1077836069 /nfs/dbraw/zinc/83/60/69/1077836069.db2.gz WXIPMHHVLAJIHI-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM COc1cc(C#N)cc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC001609339953 1077836073 /nfs/dbraw/zinc/83/60/73/1077836073.db2.gz WXIPMHHVLAJIHI-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM COc1cc(C=NN[C@@H](C)C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001609341340 1077836255 /nfs/dbraw/zinc/83/62/55/1077836255.db2.gz LAXIHFXLXAJLAD-JTQLQIEISA-N -1 3 302.382 2.233 20 30 DEEDHM COc1cc(C=NN[C@@H](C)C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001609341340 1077836258 /nfs/dbraw/zinc/83/62/58/1077836258.db2.gz LAXIHFXLXAJLAD-JTQLQIEISA-N -1 3 302.382 2.233 20 30 DEEDHM COc1cc(C=CC(=O)c2ccncc2)ccc1-c1nnn[n-]1 ZINC001609341503 1077837032 /nfs/dbraw/zinc/83/70/32/1077837032.db2.gz UTNBFQSZQDPLAK-HWKANZROSA-N -1 3 307.313 2.166 20 30 DEEDHM COc1cc(C=CC(=O)c2ccncc2)ccc1-c1nn[n-]n1 ZINC001609341503 1077837036 /nfs/dbraw/zinc/83/70/36/1077837036.db2.gz UTNBFQSZQDPLAK-HWKANZROSA-N -1 3 307.313 2.166 20 30 DEEDHM Cc1ccc(C(=O)Oc2ccc(-c3nnn[n-]3)cc2F)cc1C#N ZINC001609420101 1077855990 /nfs/dbraw/zinc/85/59/90/1077855990.db2.gz RPYQNDUFRNCSJN-UHFFFAOYSA-N -1 3 323.287 2.405 20 30 DEEDHM Cc1ccc(C(=O)Oc2ccc(-c3nn[n-]n3)cc2F)cc1C#N ZINC001609420101 1077855992 /nfs/dbraw/zinc/85/59/92/1077855992.db2.gz RPYQNDUFRNCSJN-UHFFFAOYSA-N -1 3 323.287 2.405 20 30 DEEDHM Cc1csc(NC(=O)c2cc(C#N)oc2C)c1-c1nnn[n-]1 ZINC001609443898 1077860737 /nfs/dbraw/zinc/86/07/37/1077860737.db2.gz ZMQTZZXBCRPKNL-UHFFFAOYSA-N -1 3 314.330 2.262 20 30 DEEDHM Cc1csc(NC(=O)c2cc(C#N)oc2C)c1-c1nn[n-]n1 ZINC001609443898 1077860740 /nfs/dbraw/zinc/86/07/40/1077860740.db2.gz ZMQTZZXBCRPKNL-UHFFFAOYSA-N -1 3 314.330 2.262 20 30 DEEDHM N#Cc1ccc(COC(=O)c2cscc2-c2nnn[n-]2)cc1 ZINC001609498568 1077871418 /nfs/dbraw/zinc/87/14/18/1077871418.db2.gz QEQOFYFVKRYMRM-UHFFFAOYSA-N -1 3 311.326 2.157 20 30 DEEDHM N#Cc1ccc(COC(=O)c2cscc2-c2nn[n-]n2)cc1 ZINC001609498568 1077871421 /nfs/dbraw/zinc/87/14/21/1077871421.db2.gz QEQOFYFVKRYMRM-UHFFFAOYSA-N -1 3 311.326 2.157 20 30 DEEDHM N#Cc1ccc2c(c1)CC[C@H]2NCc1ccc(-c2nnn[n-]2)o1 ZINC001609499584 1077871644 /nfs/dbraw/zinc/87/16/44/1077871644.db2.gz ZCJBSOOFBSFPIP-CQSZACIVSA-N -1 3 306.329 2.108 20 30 DEEDHM C#Cc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC001655403180 1079996266 /nfs/dbraw/zinc/99/62/66/1079996266.db2.gz VLIHVJQLORQUOL-UHFFFAOYSA-N -1 3 302.380 2.080 20 30 DEEDHM C=C(C)C[C@H]([N-]S(=O)(=O)CC1(C)CCCCC1)C(=O)OC ZINC001656406567 1080086293 /nfs/dbraw/zinc/08/62/93/1080086293.db2.gz XCLRVIJJXMFYKY-ZDUSSCGKSA-N -1 3 317.451 2.384 20 30 DEEDHM 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ASLWIADKIIZAAY-UHFFFAOYSA-N -1 3 300.289 2.098 20 30 DEEDHM C=C(C)C[C@@H](C)C(=O)NC/C=C\CNC(=O)c1ccccc1[O-] ZINC001533380869 1071828121 /nfs/dbraw/zinc/82/81/21/1071828121.db2.gz FEYBZMGOKDDXRV-LMVHVUTASA-N -1 3 316.401 2.397 20 30 DEEDHM C#CCN(CC#CC)C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001618792643 1078158405 /nfs/dbraw/zinc/15/84/05/1078158405.db2.gz RVYMEHIHFJUVNC-UHFFFAOYSA-N -1 3 312.756 2.280 20 30 DEEDHM C=CCO[N-]C(=O)Cc1ccc(I)cc1 ZINC001624255971 1078218758 /nfs/dbraw/zinc/21/87/58/1078218758.db2.gz IRQQLSQRRUOVSX-UHFFFAOYSA-N -1 3 317.126 2.068 20 30 DEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(-c2cccs2)o1 ZINC001625082462 1078237566 /nfs/dbraw/zinc/23/75/66/1078237566.db2.gz JLVKDEOUKNPSQT-SECBINFHSA-N -1 3 306.343 2.118 20 30 DEEDHM CCOC(=O)C(C)(C)ON=C([O-])Nc1cc(C#N)ccc1F ZINC001625455220 1078245951 /nfs/dbraw/zinc/24/59/51/1078245951.db2.gz NAEYQNQPKHMZNA-UHFFFAOYSA-N -1 3 309.297 2.092 20 30 DEEDHM CCOC(=O)C(C)(C)O[N-]C(=O)Nc1cc(C#N)ccc1F ZINC001625455220 1078245953 /nfs/dbraw/zinc/24/59/53/1078245953.db2.gz NAEYQNQPKHMZNA-UHFFFAOYSA-N -1 3 309.297 2.092 20 30 DEEDHM C=CC[C@H](CO)CNC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001633025585 1078395903 /nfs/dbraw/zinc/39/59/03/1078395903.db2.gz CTROGRSELKTQDF-JTQLQIEISA-N -1 3 320.776 2.096 20 30 DEEDHM CC#CCCCC(=O)N[C@@H](CC)CNC(=O)c1ccccc1[O-] ZINC001498925688 1066961772 /nfs/dbraw/zinc/96/17/72/1066961772.db2.gz PSFUMJWQAKEVPN-AWEZNQCLSA-N -1 3 316.401 2.210 20 30 DEEDHM C#Cc1ccc(C(=O)N[C@H]2CC[C@H](c3nccc(=O)[n-]3)CC2)nc1 ZINC001637040751 1078500753 /nfs/dbraw/zinc/50/07/53/1078500753.db2.gz DPMDHRJIUAFTLG-HDJSIYSDSA-N -1 3 322.368 2.015 20 30 DEEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N(CC#N)C2CCCC2)c1 ZINC001519555331 1069053988 /nfs/dbraw/zinc/05/39/88/1069053988.db2.gz SYVWLUMSXLVNJY-UHFFFAOYSA-N -1 3 313.357 2.425 20 30 DEEDHM CN(C)C1(C(=O)Nc2ccc(NC(=O)[O-])c(C#N)c2)CCCC1 ZINC001573858569 1069122573 /nfs/dbraw/zinc/12/25/73/1069122573.db2.gz JACKYQOGLJNLJA-UHFFFAOYSA-N -1 3 316.361 2.461 20 30 DEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H]1CC[C@H](c2ccccc2)C1 ZINC001552663179 1074623510 /nfs/dbraw/zinc/62/35/10/1074623510.db2.gz PEZIITYUPXYNAU-SOUVJXGZSA-N -1 3 302.374 2.067 20 30 DEEDHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(F)c1 ZINC001552973841 1074720617 /nfs/dbraw/zinc/72/06/17/1074720617.db2.gz HAVCXIJKYVWXDV-DZGCQCFKSA-N -1 3 308.353 2.363 20 30 DEEDHM Cc1csc(NC(=O)NCc2cc(=O)[n-]c(=S)[nH]2)c1C#N ZINC001562767073 1075163550 /nfs/dbraw/zinc/16/35/50/1075163550.db2.gz BTVQXTHRAQDDPH-UHFFFAOYSA-N -1 3 321.387 2.034 20 30 DEEDHM C[C@@H](OC(=O)c1cccc(C#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC001580310655 1075899762 /nfs/dbraw/zinc/89/97/62/1075899762.db2.gz DVBYUFBGNUAEHD-SNVBAGLBSA-N -1 3 320.312 2.051 20 30 DEEDHM C[C@@H](OC(=O)c1cccc(C#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC001580310655 1075899767 /nfs/dbraw/zinc/89/97/67/1075899767.db2.gz DVBYUFBGNUAEHD-SNVBAGLBSA-N -1 3 320.312 2.051 20 30 DEEDHM Cc1cc(CNc2c(C#N)cccc2-c2nnn[n-]2)cc(C)n1 ZINC001580928526 1076020169 /nfs/dbraw/zinc/02/01/69/1076020169.db2.gz OCMPBOYYRMPVPT-UHFFFAOYSA-N -1 3 305.345 2.362 20 30 DEEDHM Cc1cc(CNc2c(C#N)cccc2-c2nn[n-]n2)cc(C)n1 ZINC001580928526 1076020175 /nfs/dbraw/zinc/02/01/75/1076020175.db2.gz OCMPBOYYRMPVPT-UHFFFAOYSA-N -1 3 305.345 2.362 20 30 DEEDHM Cc1cc(NC(=O)c2ncc(C#N)cc2C)cc(-c2nnn[n-]2)c1 ZINC001580989093 1076029973 /nfs/dbraw/zinc/02/99/73/1076029973.db2.gz MMENZDMURPOKLB-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(NC(=O)c2ncc(C#N)cc2C)cc(-c2nn[n-]n2)c1 ZINC001580989093 1076029976 /nfs/dbraw/zinc/02/99/76/1076029976.db2.gz MMENZDMURPOKLB-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)c(N(C)CCc2cccc(C#N)c2)n1 ZINC001581062673 1076039270 /nfs/dbraw/zinc/03/92/70/1076039270.db2.gz ARFHPARFXVPHOV-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)c(N(C)CCc2cccc(C#N)c2)n1 ZINC001581062673 1076039277 /nfs/dbraw/zinc/03/92/77/1076039277.db2.gz ARFHPARFXVPHOV-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM N#Cc1ccc(F)c(CNCc2csc(-c3nnn[n-]3)c2)c1 ZINC001581872130 1076106039 /nfs/dbraw/zinc/10/60/39/1076106039.db2.gz LSTXTGGUNJIEIU-UHFFFAOYSA-N -1 3 314.349 2.229 20 30 DEEDHM N#Cc1ccc(F)c(CNCc2csc(-c3nn[n-]n3)c2)c1 ZINC001581872130 1076106040 /nfs/dbraw/zinc/10/60/40/1076106040.db2.gz LSTXTGGUNJIEIU-UHFFFAOYSA-N -1 3 314.349 2.229 20 30 DEEDHM C#CC1CCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC001588331414 1076440821 /nfs/dbraw/zinc/44/08/21/1076440821.db2.gz RXWCVJAHNPZPRP-UHFFFAOYSA-N -1 3 302.769 2.073 20 30 DEEDHM C#CC1CCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC001588331414 1076440826 /nfs/dbraw/zinc/44/08/26/1076440826.db2.gz RXWCVJAHNPZPRP-UHFFFAOYSA-N -1 3 302.769 2.073 20 30 DEEDHM C#C[C@H]1CCCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC001588331382 1076441434 /nfs/dbraw/zinc/44/14/34/1076441434.db2.gz AEZUMBZKWINXAV-LBPRGKRZSA-N -1 3 304.357 2.265 20 30 DEEDHM C#C[C@H]1CCCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC001588331382 1076441436 /nfs/dbraw/zinc/44/14/36/1076441436.db2.gz AEZUMBZKWINXAV-LBPRGKRZSA-N -1 3 304.357 2.265 20 30 DEEDHM C#CC[C@H]1CCCN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)C1 ZINC001588337489 1076442705 /nfs/dbraw/zinc/44/27/05/1076442705.db2.gz QPUGEIHEKMYZQV-ZDUSSCGKSA-N -1 3 322.416 2.380 20 30 DEEDHM C#CC[C@H]1CCCN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)C1 ZINC001588337489 1076442707 /nfs/dbraw/zinc/44/27/07/1076442707.db2.gz QPUGEIHEKMYZQV-ZDUSSCGKSA-N -1 3 322.416 2.380 20 30 DEEDHM C#CCN(CC)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001588350264 1076443711 /nfs/dbraw/zinc/44/37/11/1076443711.db2.gz LXPCGVNJQVNOSD-UHFFFAOYSA-N -1 3 323.400 2.160 20 30 DEEDHM C#CCN(CC)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001588350264 1076443713 /nfs/dbraw/zinc/44/37/13/1076443713.db2.gz LXPCGVNJQVNOSD-UHFFFAOYSA-N -1 3 323.400 2.160 20 30 DEEDHM C#Cc1ccc(C(=O)Nc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC001588373880 1076444299 /nfs/dbraw/zinc/44/42/99/1076444299.db2.gz VXUPVTXTRLKWBM-UHFFFAOYSA-N -1 3 319.324 2.109 20 30 DEEDHM C#Cc1ccc(C(=O)Nc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC001588373880 1076444302 /nfs/dbraw/zinc/44/43/02/1076444302.db2.gz VXUPVTXTRLKWBM-UHFFFAOYSA-N -1 3 319.324 2.109 20 30 DEEDHM C#Cc1ccc(COC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC001588373284 1076444643 /nfs/dbraw/zinc/44/46/43/1076444643.db2.gz GXAJVFSUGNGYSM-UHFFFAOYSA-N -1 3 304.309 2.205 20 30 DEEDHM C#Cc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC001588373284 1076444645 /nfs/dbraw/zinc/44/46/45/1076444645.db2.gz GXAJVFSUGNGYSM-UHFFFAOYSA-N -1 3 304.309 2.205 20 30 DEEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnn(CC2CCC2)c1 ZINC001588381941 1076445594 /nfs/dbraw/zinc/44/55/94/1076445594.db2.gz XTHZQJBIYUEWNU-UHFFFAOYSA-N -1 3 322.376 2.309 20 30 DEEDHM C=C(CNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001588444298 1076448461 /nfs/dbraw/zinc/44/84/61/1076448461.db2.gz WEJVNMYQALNGMT-UHFFFAOYSA-N -1 3 305.341 2.310 20 30 DEEDHM C=C(CNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001588444298 1076448462 /nfs/dbraw/zinc/44/84/62/1076448462.db2.gz WEJVNMYQALNGMT-UHFFFAOYSA-N -1 3 305.341 2.310 20 30 DEEDHM C=C(CC(C)C)C(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588443087 1076448726 /nfs/dbraw/zinc/44/87/26/1076448726.db2.gz UWTLLBKRSRXQHT-HNNXBMFYSA-N -1 3 311.389 2.052 20 30 DEEDHM C=C(CC(C)C)C(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588443087 1076448728 /nfs/dbraw/zinc/44/87/28/1076448728.db2.gz UWTLLBKRSRXQHT-HNNXBMFYSA-N -1 3 311.389 2.052 20 30 DEEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588456676 1076449083 /nfs/dbraw/zinc/44/90/83/1076449083.db2.gz SZVCSXSVSJRVDZ-TXEJJXNPSA-N -1 3 312.333 2.462 20 30 DEEDHM C=C1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588456676 1076449087 /nfs/dbraw/zinc/44/90/87/1076449087.db2.gz SZVCSXSVSJRVDZ-TXEJJXNPSA-N -1 3 312.333 2.462 20 30 DEEDHM C=C1CCC(C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CC1 ZINC001588461105 1076449169 /nfs/dbraw/zinc/44/91/69/1076449169.db2.gz JONNIGMSIWAEMG-UHFFFAOYSA-N -1 3 309.373 2.455 20 30 DEEDHM C=C1CCC(C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CC1 ZINC001588461105 1076449173 /nfs/dbraw/zinc/44/91/73/1076449173.db2.gz JONNIGMSIWAEMG-UHFFFAOYSA-N -1 3 309.373 2.455 20 30 DEEDHM C=C1CCC(C(=O)NCc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC001588462268 1076449455 /nfs/dbraw/zinc/44/94/55/1076449455.db2.gz KMXGQWQCSAOSDV-UHFFFAOYSA-N -1 3 315.352 2.368 20 30 DEEDHM C=C1CCC(C(=O)NCc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001588462268 1076449457 /nfs/dbraw/zinc/44/94/57/1076449457.db2.gz KMXGQWQCSAOSDV-UHFFFAOYSA-N -1 3 315.352 2.368 20 30 DEEDHM C=CC(C)(C)CNC(=O)c1c[nH]c2cccc(-c3nnn[n-]3)c21 ZINC001588489150 1076450038 /nfs/dbraw/zinc/45/00/38/1076450038.db2.gz XGBYFSKIZFOTHE-UHFFFAOYSA-N -1 3 310.361 2.290 20 30 DEEDHM C=CC(C)(C)CNC(=O)c1c[nH]c2cccc(-c3nn[n-]n3)c21 ZINC001588489150 1076450040 /nfs/dbraw/zinc/45/00/40/1076450040.db2.gz XGBYFSKIZFOTHE-UHFFFAOYSA-N -1 3 310.361 2.290 20 30 DEEDHM C=CC(C)(C)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001588489062 1076450633 /nfs/dbraw/zinc/45/06/33/1076450633.db2.gz WISMZVQOPOSTLU-UHFFFAOYSA-N -1 3 317.353 2.371 20 30 DEEDHM C=CC(C)(C)CCNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001588489062 1076450635 /nfs/dbraw/zinc/45/06/35/1076450635.db2.gz WISMZVQOPOSTLU-UHFFFAOYSA-N -1 3 317.353 2.371 20 30 DEEDHM C=C[C@@H](CC)CC(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588525764 1076451199 /nfs/dbraw/zinc/45/11/99/1076451199.db2.gz KLINXVTXITZRLC-NSHDSACASA-N -1 3 314.345 2.195 20 30 DEEDHM C=C[C@@H](CC)CC(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588525764 1076451201 /nfs/dbraw/zinc/45/12/01/1076451201.db2.gz KLINXVTXITZRLC-NSHDSACASA-N -1 3 314.345 2.195 20 30 DEEDHM C=CC[C@H](C)Sc1nc(C(=O)OCC)ccc1-c1nnn[n-]1 ZINC001588539176 1076452701 /nfs/dbraw/zinc/45/27/01/1076452701.db2.gz AWQHKJSMSQTOEU-VIFPVBQESA-N -1 3 319.390 2.495 20 30 DEEDHM C=CC[C@H](C)Sc1nc(C(=O)OCC)ccc1-c1nn[n-]n1 ZINC001588539176 1076452702 /nfs/dbraw/zinc/45/27/02/1076452702.db2.gz AWQHKJSMSQTOEU-VIFPVBQESA-N -1 3 319.390 2.495 20 30 DEEDHM C=CCC1(C(=O)N2Cc3ccc(-c4nnn[n-]4)cc3C2)CCC1 ZINC001588551371 1076453936 /nfs/dbraw/zinc/45/39/36/1076453936.db2.gz BCOCHRFJAWFBTG-UHFFFAOYSA-N -1 3 309.373 2.455 20 30 DEEDHM C=CCC1(C(=O)N2Cc3ccc(-c4nn[n-]n4)cc3C2)CCC1 ZINC001588551371 1076453937 /nfs/dbraw/zinc/45/39/37/1076453937.db2.gz BCOCHRFJAWFBTG-UHFFFAOYSA-N -1 3 309.373 2.455 20 30 DEEDHM C=CCC(F)(F)C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588545714 1076454169 /nfs/dbraw/zinc/45/41/69/1076454169.db2.gz LSKLLFJHWUMYEC-UHFFFAOYSA-N -1 3 312.251 2.260 20 30 DEEDHM C=CCC(F)(F)C(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588545714 1076454173 /nfs/dbraw/zinc/45/41/73/1076454173.db2.gz LSKLLFJHWUMYEC-UHFFFAOYSA-N -1 3 312.251 2.260 20 30 DEEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588594119 1076455871 /nfs/dbraw/zinc/45/58/71/1076455871.db2.gz LPSBCNIKKFJTCN-LLVKDONJSA-N -1 3 315.377 2.350 20 30 DEEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588594119 1076455873 /nfs/dbraw/zinc/45/58/73/1076455873.db2.gz LPSBCNIKKFJTCN-LLVKDONJSA-N -1 3 315.377 2.350 20 30 DEEDHM CC(=[NH+][N-]c1cccc(-c2nn[n-]n2)c1)c1cc(N)ccc1F ZINC001588780755 1076465083 /nfs/dbraw/zinc/46/50/83/1076465083.db2.gz MOWCXHIBWSMYAQ-UHFFFAOYSA-N -1 3 311.324 2.424 20 30 DEEDHM CC(C)(C)C#CC(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001589068267 1076473001 /nfs/dbraw/zinc/47/30/01/1076473001.db2.gz OKYXWEMJLVFSEM-AWEZNQCLSA-N -1 3 309.373 2.020 20 30 DEEDHM CC(C)(C)C#CC(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001589068267 1076473003 /nfs/dbraw/zinc/47/30/03/1076473003.db2.gz OKYXWEMJLVFSEM-AWEZNQCLSA-N -1 3 309.373 2.020 20 30 DEEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589085757 1076474376 /nfs/dbraw/zinc/47/43/76/1076474376.db2.gz HBKWOJRBRWJUIB-OAGJVSPASA-N -1 3 324.388 2.324 20 30 DEEDHM CC(C)(C)[C@@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589085757 1076474378 /nfs/dbraw/zinc/47/43/78/1076474378.db2.gz HBKWOJRBRWJUIB-OAGJVSPASA-N -1 3 324.388 2.324 20 30 DEEDHM CC(C)[C@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589437004 1076489171 /nfs/dbraw/zinc/48/91/71/1076489171.db2.gz PCVNINIDQDNJCB-FZMZJTMJSA-N -1 3 313.361 2.137 20 30 DEEDHM CC(C)[C@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589437004 1076489174 /nfs/dbraw/zinc/48/91/74/1076489174.db2.gz PCVNINIDQDNJCB-FZMZJTMJSA-N -1 3 313.361 2.137 20 30 DEEDHM CC(C)Cc1noc([C@H](C#N)Cc2ccc(-c3nnn[n-]3)cc2)n1 ZINC001589665191 1076506067 /nfs/dbraw/zinc/50/60/67/1076506067.db2.gz ROOHZGKVWPQZBB-ZDUSSCGKSA-N -1 3 323.360 2.298 20 30 DEEDHM CC(C)Cc1noc([C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)n1 ZINC001589665191 1076506072 /nfs/dbraw/zinc/50/60/72/1076506072.db2.gz ROOHZGKVWPQZBB-ZDUSSCGKSA-N -1 3 323.360 2.298 20 30 DEEDHM C[C@H](CC#N)Nc1c(Br)cccc1-c1nnn[n-]1 ZINC001589786786 1076516193 /nfs/dbraw/zinc/51/61/93/1076516193.db2.gz DCDPRLDVCSEONR-SSDOTTSWSA-N -1 3 307.155 2.343 20 30 DEEDHM C[C@H](CC#N)Nc1c(Br)cccc1-c1nn[n-]n1 ZINC001589786786 1076516196 /nfs/dbraw/zinc/51/61/96/1076516196.db2.gz DCDPRLDVCSEONR-SSDOTTSWSA-N -1 3 307.155 2.343 20 30 DEEDHM C[C@H](NC(=O)c1cscc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001589950721 1076532821 /nfs/dbraw/zinc/53/28/21/1076532821.db2.gz HUZTUNORNYAZFR-VIFPVBQESA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@H](NC(=O)c1cscc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001589950721 1076532822 /nfs/dbraw/zinc/53/28/22/1076532822.db2.gz HUZTUNORNYAZFR-VIFPVBQESA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@H](NCc1ccc(-c2nnn[n-]2)cn1)c1ccc(C#N)cc1F ZINC001589967716 1076539316 /nfs/dbraw/zinc/53/93/16/1076539316.db2.gz NENAFRFSMPFOCI-JTQLQIEISA-N -1 3 323.335 2.123 20 30 DEEDHM C[C@H](NCc1ccc(-c2nn[n-]n2)cn1)c1ccc(C#N)cc1F ZINC001589967716 1076539319 /nfs/dbraw/zinc/53/93/19/1076539319.db2.gz NENAFRFSMPFOCI-JTQLQIEISA-N -1 3 323.335 2.123 20 30 DEEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CC2(C#N)CC2)s1 ZINC001590874766 1076687810 /nfs/dbraw/zinc/68/78/10/1076687810.db2.gz FWIWXJMXXKMPMW-UHFFFAOYSA-N -1 3 302.363 2.123 20 30 DEEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CC2(C#N)CC2)s1 ZINC001590874766 1076687811 /nfs/dbraw/zinc/68/78/11/1076687811.db2.gz FWIWXJMXXKMPMW-UHFFFAOYSA-N -1 3 302.363 2.123 20 30 DEEDHM CO[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)C1CCCC1 ZINC001591330459 1076725809 /nfs/dbraw/zinc/72/58/09/1076725809.db2.gz YTOQJAWDBWWWDM-CQSZACIVSA-N -1 3 312.377 2.355 20 30 DEEDHM CO[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)C1CCCC1 ZINC001591330459 1076725812 /nfs/dbraw/zinc/72/58/12/1076725812.db2.gz YTOQJAWDBWWWDM-CQSZACIVSA-N -1 3 312.377 2.355 20 30 DEEDHM COc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)cc(OC)c1 ZINC001591522388 1076753390 /nfs/dbraw/zinc/75/33/90/1076753390.db2.gz HDFYQTQQPIIVJS-UHFFFAOYSA-N -1 3 324.344 2.330 20 30 DEEDHM COc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)cc(OC)c1 ZINC001591522388 1076753391 /nfs/dbraw/zinc/75/33/91/1076753391.db2.gz HDFYQTQQPIIVJS-UHFFFAOYSA-N -1 3 324.344 2.330 20 30 DEEDHM C[C@@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001591721287 1076778163 /nfs/dbraw/zinc/77/81/63/1076778163.db2.gz SXRSKVWNXFWKGP-NSHDSACASA-N -1 3 318.340 2.176 20 30 DEEDHM C[C@@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001591721287 1076778168 /nfs/dbraw/zinc/77/81/68/1076778168.db2.gz SXRSKVWNXFWKGP-NSHDSACASA-N -1 3 318.340 2.176 20 30 DEEDHM Cc1cc(C(=O)NC2(C#N)CCCC2)cc(C)c1-c1nnn[n-]1 ZINC001591920462 1076807279 /nfs/dbraw/zinc/80/72/79/1076807279.db2.gz SOMYLNIQSXYSPC-UHFFFAOYSA-N -1 3 310.361 2.050 20 30 DEEDHM Cc1cc(C(=O)NC2(C#N)CCCC2)cc(C)c1-c1nn[n-]n1 ZINC001591920462 1076807285 /nfs/dbraw/zinc/80/72/85/1076807285.db2.gz SOMYLNIQSXYSPC-UHFFFAOYSA-N -1 3 310.361 2.050 20 30 DEEDHM Cc1cc(C=NN[C@H]2CCOC(C)(C)C2)ccc1-c1nnn[n-]1 ZINC001591958649 1076814500 /nfs/dbraw/zinc/81/45/00/1076814500.db2.gz IVZXMOXOBAUUPK-ZDUSSCGKSA-N -1 3 314.393 2.056 20 30 DEEDHM Cc1cc(C=NN[C@H]2CCOC(C)(C)C2)ccc1-c1nn[n-]n1 ZINC001591958649 1076814505 /nfs/dbraw/zinc/81/45/05/1076814505.db2.gz IVZXMOXOBAUUPK-ZDUSSCGKSA-N -1 3 314.393 2.056 20 30 DEEDHM Cc1cc(N(C)Cc2cccc(-c3nnn[n-]3)c2)cc(C#N)n1 ZINC001591996751 1076827327 /nfs/dbraw/zinc/82/73/27/1076827327.db2.gz FRRBQSAZJXJOKM-UHFFFAOYSA-N -1 3 305.345 2.078 20 30 DEEDHM Cc1cc(N(C)Cc2cccc(-c3nn[n-]n3)c2)cc(C#N)n1 ZINC001591996751 1076827330 /nfs/dbraw/zinc/82/73/30/1076827330.db2.gz FRRBQSAZJXJOKM-UHFFFAOYSA-N -1 3 305.345 2.078 20 30 DEEDHM Cc1ccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2)nc1C#N ZINC001592175172 1076868277 /nfs/dbraw/zinc/86/82/77/1076868277.db2.gz JDJCXRQJPJIFEE-UHFFFAOYSA-N -1 3 305.345 2.078 20 30 DEEDHM Cc1ccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2)nc1C#N ZINC001592175172 1076868280 /nfs/dbraw/zinc/86/82/80/1076868280.db2.gz JDJCXRQJPJIFEE-UHFFFAOYSA-N -1 3 305.345 2.078 20 30 DEEDHM Cc1ccc(SCc2ncc(-c3nnn[n-]3)cn2)c(C#N)c1 ZINC001592196401 1076873136 /nfs/dbraw/zinc/87/31/36/1076873136.db2.gz SRKMGVNBBPWFJJ-UHFFFAOYSA-N -1 3 309.358 2.129 20 30 DEEDHM Cc1ccc(SCc2ncc(-c3nn[n-]n3)cn2)c(C#N)c1 ZINC001592196401 1076873138 /nfs/dbraw/zinc/87/31/38/1076873138.db2.gz SRKMGVNBBPWFJJ-UHFFFAOYSA-N -1 3 309.358 2.129 20 30 DEEDHM Cc1cccc(CN(C)c2c(C#N)cccc2-c2nnn[n-]2)n1 ZINC001592230300 1076878737 /nfs/dbraw/zinc/87/87/37/1076878737.db2.gz OXSOQOSABHYHEY-UHFFFAOYSA-N 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/nfs/dbraw/zinc/92/94/32/1076929432.db2.gz ZXGKLNUVLJZWRY-UHFFFAOYSA-N -1 3 316.365 2.082 20 30 DEEDHM N#CC1(CC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)CC1 ZINC001592667171 1076949553 /nfs/dbraw/zinc/94/95/53/1076949553.db2.gz QTNMBMGHDHIETP-UHFFFAOYSA-N -1 3 322.372 2.052 20 30 DEEDHM N#CC1(CC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)CC1 ZINC001592667171 1076949556 /nfs/dbraw/zinc/94/95/56/1076949556.db2.gz QTNMBMGHDHIETP-UHFFFAOYSA-N -1 3 322.372 2.052 20 30 DEEDHM N#Cc1ccc(NC(=O)[C@@H](F)c2ccccc2)cc1-c1nnn[n-]1 ZINC001592694970 1076953121 /nfs/dbraw/zinc/95/31/21/1076953121.db2.gz CANQHCQPBWQUCB-AWEZNQCLSA-N -1 3 322.303 2.388 20 30 DEEDHM N#Cc1ccc(NC(=O)[C@@H](F)c2ccccc2)cc1-c1nn[n-]n1 ZINC001592694970 1076953125 /nfs/dbraw/zinc/95/31/25/1076953125.db2.gz CANQHCQPBWQUCB-AWEZNQCLSA-N -1 3 322.303 2.388 20 30 DEEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2C2CC2)co1 ZINC001592687866 1076953645 /nfs/dbraw/zinc/95/36/45/1076953645.db2.gz LTJBCVATJFNFHM-UHFFFAOYSA-N -1 3 320.312 2.461 20 30 DEEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2C2CC2)co1 ZINC001592687866 1076953648 /nfs/dbraw/zinc/95/36/48/1076953648.db2.gz LTJBCVATJFNFHM-UHFFFAOYSA-N -1 3 320.312 2.461 20 30 DEEDHM N#Cc1cncnc1Sc1cccc(-c2nnn[n-]2)c1Cl ZINC001592703750 1076956108 /nfs/dbraw/zinc/95/61/08/1076956108.db2.gz AHXHRKLXXJRPCC-UHFFFAOYSA-N -1 3 315.749 2.333 20 30 DEEDHM N#Cc1cncnc1Sc1cccc(-c2nn[n-]n2)c1Cl ZINC001592703750 1076956111 /nfs/dbraw/zinc/95/61/11/1076956111.db2.gz AHXHRKLXXJRPCC-UHFFFAOYSA-N -1 3 315.749 2.333 20 30 DEEDHM N#CC1(C(=O)[O-])CCN(CCN2CCCc3ccccc32)CC1 ZINC001601053513 1077326826 /nfs/dbraw/zinc/32/68/26/1077326826.db2.gz YSRXKJFZMBZCKM-UHFFFAOYSA-N -1 3 313.401 2.130 20 30 DEEDHM C#CCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NCC ZINC001609019859 1077742988 /nfs/dbraw/zinc/74/29/88/1077742988.db2.gz JFCAXOXSOWAFKR-UHFFFAOYSA-N -1 3 312.377 2.431 20 30 DEEDHM C=CC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609053443 1077750323 /nfs/dbraw/zinc/75/03/23/1077750323.db2.gz JWCTUSKUWLDLMW-VIFPVBQESA-N -1 3 313.283 2.234 20 30 DEEDHM C=CC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609053443 1077750327 /nfs/dbraw/zinc/75/03/27/1077750327.db2.gz JWCTUSKUWLDLMW-VIFPVBQESA-N -1 3 313.283 2.234 20 30 DEEDHM C[C@]1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C[C@H]2C[C@H]2C1 ZINC001609142753 1077771604 /nfs/dbraw/zinc/77/16/04/1077771604.db2.gz LKLWGFDCNWKUJE-ORMTXKICSA-N -1 3 308.345 2.113 20 30 DEEDHM C[C@]1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C[C@H]2C[C@H]2C1 ZINC001609142753 1077771608 /nfs/dbraw/zinc/77/16/08/1077771608.db2.gz LKLWGFDCNWKUJE-ORMTXKICSA-N -1 3 308.345 2.113 20 30 DEEDHM C[C@]1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C[C@H]2C[C@H]2C1 ZINC001609142763 1077772511 /nfs/dbraw/zinc/77/25/11/1077772511.db2.gz LMRACBQFAJDHOE-CDMJZVDBSA-N -1 3 308.345 2.113 20 30 DEEDHM C[C@]1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C[C@H]2C[C@H]2C1 ZINC001609142763 1077772516 /nfs/dbraw/zinc/77/25/16/1077772516.db2.gz LMRACBQFAJDHOE-CDMJZVDBSA-N -1 3 308.345 2.113 20 30 DEEDHM COCc1cccc(CNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001609331255 1077835739 /nfs/dbraw/zinc/83/57/39/1077835739.db2.gz WSEMGJXUKMPYNY-UHFFFAOYSA-N -1 3 320.356 2.497 20 30 DEEDHM COCc1cccc(CNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001609331255 1077835744 /nfs/dbraw/zinc/83/57/44/1077835744.db2.gz WSEMGJXUKMPYNY-UHFFFAOYSA-N -1 3 320.356 2.497 20 30 DEEDHM COc1cc(C#N)ccc1NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609339669 1077836055 /nfs/dbraw/zinc/83/60/55/1077836055.db2.gz DMLPCPSCJSSBFQ-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1cc(C#N)ccc1NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609339669 1077836058 /nfs/dbraw/zinc/83/60/58/1077836058.db2.gz DMLPCPSCJSSBFQ-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1ccccc1CON=Cc1cccc(-c2nnn[n-]2)c1 ZINC001609364157 1077841768 /nfs/dbraw/zinc/84/17/68/1077841768.db2.gz WDTPSPSLHCPSLQ-UHFFFAOYSA-N -1 3 309.329 2.426 20 30 DEEDHM COc1ccccc1CON=Cc1cccc(-c2nn[n-]n2)c1 ZINC001609364157 1077841769 /nfs/dbraw/zinc/84/17/69/1077841769.db2.gz WDTPSPSLHCPSLQ-UHFFFAOYSA-N -1 3 309.329 2.426 20 30 DEEDHM Cc1ccc(C(=O)Oc2ccc(C#N)cc2F)cc1-c1nnn[n-]1 ZINC001609420179 1077855699 /nfs/dbraw/zinc/85/56/99/1077855699.db2.gz WCEBAYRVDMOKPA-UHFFFAOYSA-N -1 3 323.287 2.405 20 30 DEEDHM Cc1ccc(C(=O)Oc2ccc(C#N)cc2F)cc1-c1nn[n-]n1 ZINC001609420179 1077855703 /nfs/dbraw/zinc/85/57/03/1077855703.db2.gz WCEBAYRVDMOKPA-UHFFFAOYSA-N -1 3 323.287 2.405 20 30 DEEDHM Fc1ccc(CNN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC001609490701 1077869250 /nfs/dbraw/zinc/86/92/50/1077869250.db2.gz REJVMRPTGJWKSJ-UHFFFAOYSA-N -1 3 302.338 2.191 20 30 DEEDHM CC(=O)Nc1ccc(C(=O)N([O-])Cc2ccc(F)cc2)nc1 ZINC001654829089 1079978650 /nfs/dbraw/zinc/97/86/50/1079978650.db2.gz SKXOIKRNAVLCNP-UHFFFAOYSA-N -1 3 303.293 2.211 20 30 DEEDHM Cc1[nH]nc([N-]C(=O)c2scnc2C(F)(F)F)c1C#N ZINC001413271163 1083480556 /nfs/dbraw/zinc/48/05/56/1083480556.db2.gz ASDUJZHAMMXUKE-UHFFFAOYSA-N -1 3 301.253 2.317 20 30 DEEDHM C#C[C@H](C)Oc1cc([O-])cc2oc3cc(O)c(O)cc3c(=O)c12 ZINC001234748160 1084205480 /nfs/dbraw/zinc/20/54/80/1084205480.db2.gz GJURNXLVESWTDY-QMMMGPOBSA-N -1 3 312.277 2.464 20 30 DEEDHM N#Cc1ccc(N2CCC[C@@H]2CNC(=O)c2ccccc2[O-])nc1 ZINC001061294398 1085855581 /nfs/dbraw/zinc/85/55/81/1085855581.db2.gz HKKYDZZYZKTISN-CQSZACIVSA-N -1 3 322.368 2.058 20 30 DEEDHM C=CCCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001081892842 1089558611 /nfs/dbraw/zinc/55/86/11/1089558611.db2.gz QCZAXKVRMRLJNW-AWEZNQCLSA-N -1 3 316.401 2.469 20 30 DEEDHM C=CCN1CC[C@@]2(CCCN2Cc2cc(C#N)ccc2[O-])C1=O ZINC001274665730 1091358719 /nfs/dbraw/zinc/35/87/19/1091358719.db2.gz BGRVQKHZPDCUKP-SFHVURJKSA-N -1 3 311.385 2.017 20 30 DEEDHM C=CCN1CC[C@]2(CCN(Cc3ccc(F)c([O-])c3F)C2)C1=O ZINC001274793883 1091421880 /nfs/dbraw/zinc/42/18/80/1091421880.db2.gz NHXWLXZSSQABSC-KRWDZBQOSA-N -1 3 322.355 2.281 20 30 DEEDHM Cc1nsc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1C#N ZINC001411400724 1091699827 /nfs/dbraw/zinc/69/98/27/1091699827.db2.gz XCKUCZGSATZKNR-UHFFFAOYSA-N -1 3 317.374 2.007 20 30 DEEDHM C=CCCC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2[O-])[C@@H]1C ZINC001488255886 1092413896 /nfs/dbraw/zinc/41/38/96/1092413896.db2.gz XYXWESIXYJTWFZ-UKRRQHHQSA-N -1 3 316.401 2.468 20 30 DEEDHM Cc1ccc(C(=O)NCCC(=O)OCC2(CC#N)CC2)c([O-])c1 ZINC001771773218 1138226559 /nfs/dbraw/zinc/22/65/59/1138226559.db2.gz MZBIBYAUFXKMHO-UHFFFAOYSA-N -1 3 316.357 2.058 20 30 DEEDHM COC(=O)[C@](C)(N)Cc1cccc(-c2ccc([O-])c(C#N)c2)c1 ZINC001242566045 1140000974 /nfs/dbraw/zinc/00/09/74/1140000974.db2.gz GNONIIUOWUYSGI-GOSISDBHSA-N -1 3 310.353 2.364 20 30 DEEDHM COC(=O)COc1ccc(-c2ccc3c(c2)CC/C3=N/[O-])cn1 ZINC001243633962 1140187730 /nfs/dbraw/zinc/18/77/30/1140187730.db2.gz SKFXGOHYDKWGLR-CYVLTUHYSA-N -1 3 312.325 2.425 20 30 DEEDHM C#CC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1ccccc1 ZINC001324451036 1142080364 /nfs/dbraw/zinc/08/03/64/1142080364.db2.gz SLAHUFGCVWMXNP-HNNXBMFYSA-N -1 3 310.378 2.490 20 30 DEEDHM C#CC[C@@H](NC(=O)CCc1c(C)nc[n-]c1=O)c1ccccc1 ZINC001324467069 1142083295 /nfs/dbraw/zinc/08/32/95/1142083295.db2.gz NHAMRWJQIRGDLI-MRXNPFEDSA-N -1 3 309.369 2.304 20 30 DEEDHM C#CCOC[C@@H](O)CNc1cc(Cl)c(C)c(Cl)c1[O-] ZINC001251871627 1142529255 /nfs/dbraw/zinc/52/92/55/1142529255.db2.gz NXXKVHLOUUOCGL-VIFPVBQESA-N -1 3 304.173 2.430 20 30 DEEDHM N#CC1([N-]S(=O)(=O)Cc2ccccc2)Cc2ccccc2C1 ZINC001252942844 1142832920 /nfs/dbraw/zinc/83/29/20/1142832920.db2.gz RRAGAGGOPMSEOE-UHFFFAOYSA-N -1 3 312.394 2.167 20 30 DEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](C)[C@H](C)[C@H]1C ZINC001338883701 1142888875 /nfs/dbraw/zinc/88/88/75/1142888875.db2.gz GBKYLFHDUJXFEB-GARJFASQSA-N -1 3 303.366 2.305 20 30 DEEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC=C(C)C1 ZINC001339090724 1142920159 /nfs/dbraw/zinc/92/01/59/1142920159.db2.gz DSXSAKCPRDQNMM-UHFFFAOYSA-N -1 3 305.773 2.059 20 30 DEEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC=C(C)C1 ZINC001339090724 1142920176 /nfs/dbraw/zinc/92/01/76/1142920176.db2.gz DSXSAKCPRDQNMM-UHFFFAOYSA-N -1 3 305.773 2.059 20 30 DEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1C[C@H](C)C[C@@H]1CC ZINC001340503198 1143361251 /nfs/dbraw/zinc/36/12/51/1143361251.db2.gz 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CCc1cnccc1[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC001649740276 1079186375 /nfs/dbraw/zinc/18/63/75/1079186375.db2.gz VCBBYGMWBJEVJK-NSHDSACASA-N -1 3 315.398 2.444 20 30 DEEDHM [O-]c1ccc(CNC[C@H](O)C(F)(F)C(F)(F)F)c(F)c1F ZINC001560984176 1075149150 /nfs/dbraw/zinc/14/91/50/1075149150.db2.gz RTBZDNMECNPUQU-ZETCQYMHSA-N -1 3 321.192 2.319 20 30 DEEDHM N#Cc1ccc2c(c1)CCCN2Cc1cncc(-c2nnn[n-]2)c1 ZINC001581874303 1076106826 /nfs/dbraw/zinc/10/68/26/1076106826.db2.gz MAZNWSCAIBGEAK-UHFFFAOYSA-N -1 3 317.356 2.086 20 30 DEEDHM N#Cc1ccc2c(c1)CCCN2Cc1cncc(-c2nn[n-]n2)c1 ZINC001581874303 1076106830 /nfs/dbraw/zinc/10/68/30/1076106830.db2.gz MAZNWSCAIBGEAK-UHFFFAOYSA-N -1 3 317.356 2.086 20 30 DEEDHM N#Cc1cccc(C#N)c1N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001581874680 1076107350 /nfs/dbraw/zinc/10/73/50/1076107350.db2.gz BYLRKEIQGMDKEK-UHFFFAOYSA-N -1 3 313.324 2.130 20 30 DEEDHM N#Cc1cccc(C#N)c1N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001581874680 1076107354 /nfs/dbraw/zinc/10/73/54/1076107354.db2.gz 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C=C1CCN(C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588462331 1076449749 /nfs/dbraw/zinc/44/97/49/1076449749.db2.gz CYECTMDUIYKUIV-LBPRGKRZSA-N -1 3 312.377 2.289 20 30 DEEDHM C=C1CCN(C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588462331 1076449752 /nfs/dbraw/zinc/44/97/52/1076449752.db2.gz CYECTMDUIYKUIV-LBPRGKRZSA-N -1 3 312.377 2.289 20 30 DEEDHM C=C[C@H](COC)Nc1cc(Br)ccc1-c1nnn[n-]1 ZINC001588526147 1076451324 /nfs/dbraw/zinc/45/13/24/1076451324.db2.gz QRAOWUWSVWCVEH-SECBINFHSA-N -1 3 324.182 2.242 20 30 DEEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588594389 1076456089 /nfs/dbraw/zinc/45/60/89/1076456089.db2.gz NLICWYOOUWCHKM-SNVBAGLBSA-N -1 3 303.341 2.480 20 30 DEEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588594389 1076456091 /nfs/dbraw/zinc/45/60/91/1076456091.db2.gz NLICWYOOUWCHKM-SNVBAGLBSA-N -1 3 303.341 2.480 20 30 DEEDHM C=CCCCCCN(C)C(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588594001 1076456301 /nfs/dbraw/zinc/45/63/01/1076456301.db2.gz 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CC(C)[C@H](Nc1c(C#N)cccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC001589475356 1076491772 /nfs/dbraw/zinc/49/17/72/1076491772.db2.gz MUMMETHWDAZHPF-AWEZNQCLSA-N -1 3 322.376 2.281 20 30 DEEDHM CC(C)C[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001589536625 1076497109 /nfs/dbraw/zinc/49/71/09/1076497109.db2.gz AGUVHCSSYKVHCJ-SOUVJXGZSA-N -1 3 324.388 2.025 20 30 DEEDHM CC(C)C[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001589536625 1076497114 /nfs/dbraw/zinc/49/71/14/1076497114.db2.gz AGUVHCSSYKVHCJ-SOUVJXGZSA-N -1 3 324.388 2.025 20 30 DEEDHM C[C@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCO[C@H]1C1CC1 ZINC001590133429 1076570536 /nfs/dbraw/zinc/57/05/36/1076570536.db2.gz CHWCXNBKYGECNF-DOTOQJQBSA-N -1 3 324.388 2.355 20 30 DEEDHM C[C@]1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCO[C@H]1C1CC1 ZINC001590133429 1076570538 /nfs/dbraw/zinc/57/05/38/1076570538.db2.gz CHWCXNBKYGECNF-DOTOQJQBSA-N -1 3 324.388 2.355 20 30 DEEDHM CC1CN(c2nc3c(c(C#N)c2-c2nnn[n-]2)CCCCCC3)C1 ZINC001590317093 1076609836 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CN(Cc1cc(C#N)cs1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001591130234 1076710744 /nfs/dbraw/zinc/71/07/44/1076710744.db2.gz GWSMPUMLWWTFEB-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM CN(Cc1cc(C#N)cs1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001591130234 1076710751 /nfs/dbraw/zinc/71/07/51/1076710751.db2.gz GWSMPUMLWWTFEB-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cscc1C#N ZINC001591135977 1076711269 /nfs/dbraw/zinc/71/12/69/1076711269.db2.gz XZVQJEUZQLMILG-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cscc1C#N ZINC001591135977 1076711272 /nfs/dbraw/zinc/71/12/72/1076711272.db2.gz XZVQJEUZQLMILG-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM CN(Cc1cccc(-c2nnn[n-]2)c1F)[C@H]1CCC[C@@H]1C#N ZINC001591146108 1076713765 /nfs/dbraw/zinc/71/37/65/1076713765.db2.gz JEWUFBYSCXSFJK-MFKMUULPSA-N -1 3 300.341 2.130 20 30 DEEDHM CN(Cc1cccc(-c2nn[n-]n2)c1F)[C@H]1CCC[C@@H]1C#N ZINC001591146108 1076713768 /nfs/dbraw/zinc/71/37/68/1076713768.db2.gz JEWUFBYSCXSFJK-MFKMUULPSA-N -1 3 300.341 2.130 20 30 DEEDHM CN1CCc2ccc(Nc3c(C#N)cccc3-c3nnn[n-]3)cc21 ZINC001591196275 1076716197 /nfs/dbraw/zinc/71/61/97/1076716197.db2.gz RPVDPHZYLLVBLE-UHFFFAOYSA-N -1 3 317.356 2.474 20 30 DEEDHM CN1CCc2ccc(Nc3c(C#N)cccc3-c3nn[n-]n3)cc21 ZINC001591196275 1076716199 /nfs/dbraw/zinc/71/61/99/1076716199.db2.gz RPVDPHZYLLVBLE-UHFFFAOYSA-N -1 3 317.356 2.474 20 30 DEEDHM CO[C@]1(C)CCCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001591337795 1076726036 /nfs/dbraw/zinc/72/60/36/1076726036.db2.gz AZUNVPADLUNVCN-MRXNPFEDSA-N -1 3 312.377 2.134 20 30 DEEDHM CO[C@]1(C)CCCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001591337795 1076726038 /nfs/dbraw/zinc/72/60/38/1076726038.db2.gz AZUNVPADLUNVCN-MRXNPFEDSA-N -1 3 312.377 2.134 20 30 DEEDHM COc1cc(OCc2cccc(-c3nnn[n-]3)c2)ccc1C#N ZINC001591552916 1076757751 /nfs/dbraw/zinc/75/77/51/1076757751.db2.gz LNPQMVOGWICEKE-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM COc1cc(OCc2cccc(-c3nn[n-]n3)c2)ccc1C#N ZINC001591552916 1076757754 /nfs/dbraw/zinc/75/77/54/1076757754.db2.gz LNPQMVOGWICEKE-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM COc1ccc(NCc2ccc(C#N)c(F)c2)cc1-c1nnn[n-]1 ZINC001591618766 1076766594 /nfs/dbraw/zinc/76/65/94/1076766594.db2.gz XDHKPZVTVBFTPV-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1ccc(NCc2ccc(C#N)c(F)c2)cc1-c1nn[n-]n1 ZINC001591618766 1076766601 /nfs/dbraw/zinc/76/66/01/1076766601.db2.gz XDHKPZVTVBFTPV-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM C[C@@]1(C#N)CC[C@H](OC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001591776230 1076782292 /nfs/dbraw/zinc/78/22/92/1076782292.db2.gz PVANDRGRFCFNQX-AKAXFMLLSA-N -1 3 311.345 2.496 20 30 DEEDHM C[C@@]1(C#N)CC[C@H](OC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591776230 1076782293 /nfs/dbraw/zinc/78/22/93/1076782293.db2.gz PVANDRGRFCFNQX-AKAXFMLLSA-N -1 3 311.345 2.496 20 30 DEEDHM Cc1c(C#N)cccc1NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001591801741 1076785799 /nfs/dbraw/zinc/78/57/99/1076785799.db2.gz MEDFVNZHSPHLCG-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1c(C#N)cccc1NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001591801741 1076785800 /nfs/dbraw/zinc/78/58/00/1076785800.db2.gz MEDFVNZHSPHLCG-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1cc(C(=O)OC2(CC#N)CCC2)cc(C)c1-c1nnn[n-]1 ZINC001591936604 1076809523 /nfs/dbraw/zinc/80/95/23/1076809523.db2.gz WFEIXOKSWULOTA-UHFFFAOYSA-N -1 3 311.345 2.477 20 30 DEEDHM Cc1cc(C(=O)OC2(CC#N)CCC2)cc(C)c1-c1nn[n-]n1 ZINC001591936604 1076809527 /nfs/dbraw/zinc/80/95/27/1076809527.db2.gz WFEIXOKSWULOTA-UHFFFAOYSA-N -1 3 311.345 2.477 20 30 DEEDHM Cc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1C#N ZINC001591958727 1076814855 /nfs/dbraw/zinc/81/48/55/1076814855.db2.gz LPKNFDVYECFFOW-UHFFFAOYSA-N -1 3 317.356 2.171 20 30 DEEDHM Cc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001591958727 1076814860 /nfs/dbraw/zinc/81/48/60/1076814860.db2.gz LPKNFDVYECFFOW-UHFFFAOYSA-N -1 3 317.356 2.171 20 30 DEEDHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cc1C#N ZINC001592129826 1076854573 /nfs/dbraw/zinc/85/45/73/1076854573.db2.gz DIQFWVYEDHSMLB-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1ccc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cc1C#N ZINC001592129826 1076854578 /nfs/dbraw/zinc/85/45/78/1076854578.db2.gz DIQFWVYEDHSMLB-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1nsc(NCc2ccc(C)c(C#N)c2)c1-c1nnn[n-]1 ZINC001592167916 1076866958 /nfs/dbraw/zinc/86/69/58/1076866958.db2.gz WCORRZZOXKLFOL-UHFFFAOYSA-N -1 3 311.374 2.424 20 30 DEEDHM Cc1nsc(N(C)Cc2cccc(C#N)c2)c1-c1nnn[n-]1 ZINC001592469165 1076917245 /nfs/dbraw/zinc/91/72/45/1076917245.db2.gz JSZADGGVAYLNQD-UHFFFAOYSA-N -1 3 311.374 2.140 20 30 DEEDHM Cn1nc(Nc2c(C#N)cccc2-c2nnn[n-]2)cc1C1CC1 ZINC001592595377 1076930535 /nfs/dbraw/zinc/93/05/35/1076930535.db2.gz XQBJMIYHCNEFJA-UHFFFAOYSA-N -1 3 306.333 2.093 20 30 DEEDHM Cn1nc(Nc2c(C#N)cccc2-c2nn[n-]n2)cc1C1CC1 ZINC001592595377 1076930537 /nfs/dbraw/zinc/93/05/37/1076930537.db2.gz XQBJMIYHCNEFJA-UHFFFAOYSA-N -1 3 306.333 2.093 20 30 DEEDHM N#CCCN(Cc1cc(-c2nnn[n-]2)cnc1Cl)CC1CC1 ZINC001592677000 1076951617 /nfs/dbraw/zinc/95/16/17/1076951617.db2.gz OUJNWOZTUVWSJP-UHFFFAOYSA-N -1 3 317.784 2.041 20 30 DEEDHM N#CCCN(Cc1cc(-c2nn[n-]n2)cnc1Cl)CC1CC1 ZINC001592677000 1076951619 /nfs/dbraw/zinc/95/16/19/1076951619.db2.gz OUJNWOZTUVWSJP-UHFFFAOYSA-N -1 3 317.784 2.041 20 30 DEEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nnn[n-]2)cn1 ZINC001592697448 1076953961 /nfs/dbraw/zinc/95/39/61/1076953961.db2.gz IITWBUWXTNVYMK-AWEZNQCLSA-N -1 3 303.329 2.233 20 30 DEEDHM N#Cc1ccc2c(c1)CC[C@@H]2Nc1ccc(-c2nn[n-]n2)cn1 ZINC001592697448 1076953964 /nfs/dbraw/zinc/95/39/64/1076953964.db2.gz IITWBUWXTNVYMK-AWEZNQCLSA-N -1 3 303.329 2.233 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC(Cc2ccccc2)C1 ZINC001592698191 1076954450 /nfs/dbraw/zinc/95/44/50/1076954450.db2.gz NCOLVYHOHRJFGG-UHFFFAOYSA-N -1 3 316.368 2.417 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC(Cc2ccccc2)C1 ZINC001592698191 1076954454 /nfs/dbraw/zinc/95/44/54/1076954454.db2.gz NCOLVYHOHRJFGG-UHFFFAOYSA-N -1 3 316.368 2.417 20 30 DEEDHM O=C([O-])C1([C@@]2(O)CCCN(CC#Cc3ccccc3)C2)CCC1 ZINC001601705928 1077437338 /nfs/dbraw/zinc/43/73/38/1077437338.db2.gz WCEPEPHZVMYHIC-LJQANCHMSA-N -1 3 313.397 2.120 20 30 DEEDHM C#CC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)CC1 ZINC001609020163 1077742921 /nfs/dbraw/zinc/74/29/21/1077742921.db2.gz SWFYIZWKVAJTOQ-UHFFFAOYSA-N -1 3 310.361 2.052 20 30 DEEDHM C#CC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)CC1 ZINC001609020163 1077742926 /nfs/dbraw/zinc/74/29/26/1077742926.db2.gz SWFYIZWKVAJTOQ-UHFFFAOYSA-N -1 3 310.361 2.052 20 30 DEEDHM C=C(C)CNN=Cc1ccc(-c2nnn[n-]2)cc1C(F)(F)F ZINC001609051751 1077748500 /nfs/dbraw/zinc/74/85/00/1077748500.db2.gz SBMGNUOPRWGXHK-UHFFFAOYSA-N -1 3 310.283 2.385 20 30 DEEDHM C=C(C)CNN=Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001609051751 1077748503 /nfs/dbraw/zinc/74/85/03/1077748503.db2.gz SBMGNUOPRWGXHK-UHFFFAOYSA-N -1 3 310.283 2.385 20 30 DEEDHM CC(C)CC[C@](C)(O)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609094054 1077759341 /nfs/dbraw/zinc/75/93/41/1077759341.db2.gz DDACXAZFYIDLPK-INIZCTEOSA-N -1 3 314.393 2.337 20 30 DEEDHM CC(C)CC[C@](C)(O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609094054 1077759343 /nfs/dbraw/zinc/75/93/43/1077759343.db2.gz DDACXAZFYIDLPK-INIZCTEOSA-N -1 3 314.393 2.337 20 30 DEEDHM C[C@@H](NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)C(F)(F)F ZINC001609125970 1077768401 /nfs/dbraw/zinc/76/84/01/1077768401.db2.gz YHHJUTYGKLQNFK-MRVPVSSYSA-N -1 3 324.310 2.448 20 30 DEEDHM C[C@@H](NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)C(F)(F)F ZINC001609125970 1077768406 /nfs/dbraw/zinc/76/84/06/1077768406.db2.gz YHHJUTYGKLQNFK-MRVPVSSYSA-N -1 3 324.310 2.448 20 30 DEEDHM CCC(=NN[C@@H]1CCSC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609181129 1077786768 /nfs/dbraw/zinc/78/67/68/1077786768.db2.gz YBWDQCFTJUANPS-GFCCVEGCSA-N -1 3 302.407 2.076 20 30 DEEDHM CCC(=NN[C@@H]1CCSC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609181129 1077786774 /nfs/dbraw/zinc/78/67/74/1077786774.db2.gz YBWDQCFTJUANPS-GFCCVEGCSA-N -1 3 302.407 2.076 20 30 DEEDHM Cc1ccncc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001609439264 1077860242 /nfs/dbraw/zinc/86/02/42/1077860242.db2.gz VISZQHPZUQRXKQ-UHFFFAOYSA-N -1 3 314.740 2.065 20 30 DEEDHM Cc1ccncc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001609439264 1077860244 /nfs/dbraw/zinc/86/02/44/1077860244.db2.gz VISZQHPZUQRXKQ-UHFFFAOYSA-N -1 3 314.740 2.065 20 30 DEEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(-c3nnn[n-]3)cs2)C1 ZINC001609494432 1077870570 /nfs/dbraw/zinc/87/05/70/1077870570.db2.gz DLJMRWSJZIOWNG-PSASIEDQSA-N -1 3 303.347 2.167 20 30 DEEDHM N#C[C@@H]1CCC[C@@H](OC(=O)c2cc(-c3nn[n-]n3)cs2)C1 ZINC001609494432 1077870574 /nfs/dbraw/zinc/87/05/74/1077870574.db2.gz DLJMRWSJZIOWNG-PSASIEDQSA-N -1 3 303.347 2.167 20 30 DEEDHM Oc1cccc2c1CCC2=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001609611598 1077883847 /nfs/dbraw/zinc/88/38/47/1077883847.db2.gz LMNGEPRONRIWEQ-UHFFFAOYSA-N -1 3 306.329 2.335 20 30 DEEDHM COc1ccc([C@H](N[C@H]2CC[C@H](C#N)C2)C(=O)[O-])c(OC)c1 ZINC001610326057 1078004391 /nfs/dbraw/zinc/00/43/91/1078004391.db2.gz FVXJOKVRNXNOAE-PGUXBMHVSA-N -1 3 304.346 2.111 20 30 DEEDHM C=C[C@@H](COC)[N-]S(=O)(=O)c1csnc1-c1ccccc1 ZINC001661545027 1080491983 /nfs/dbraw/zinc/49/19/83/1080491983.db2.gz KCOPLCLFZNZRHL-LBPRGKRZSA-N -1 3 324.427 2.289 20 30 DEEDHM N#CCC[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001663078751 1080696731 /nfs/dbraw/zinc/69/67/31/1080696731.db2.gz FGKBCSWOSJBQLB-UHFFFAOYSA-N -1 3 301.780 2.142 20 30 DEEDHM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2ccccc2[O-])C1=O ZINC001269682375 1081333465 /nfs/dbraw/zinc/33/34/65/1081333465.db2.gz GNEUOKVSBMEVBP-SFHVURJKSA-N -1 3 314.385 2.175 20 30 DEEDHM N#Cc1c([N-]C(=O)c2cnc(CN)s2)sc2c1CCC2 ZINC000720283228 1083435474 /nfs/dbraw/zinc/43/54/74/1083435474.db2.gz KSLFZFDGZYFSNI-UHFFFAOYSA-N -1 3 304.400 2.276 20 30 DEEDHM C=C(Cl)CN[C@H]1C[C@@H](NC(=O)c2ncccc2[O-])C12CCC2 ZINC001078606329 1084766241 /nfs/dbraw/zinc/76/62/41/1084766241.db2.gz FLTKHHSICYRMNG-QWHCGFSZSA-N -1 3 321.808 2.170 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)N1CC(N(C)C(=O)c2ccccc2[O-])C1 ZINC000953766904 1088132821 /nfs/dbraw/zinc/13/28/21/1088132821.db2.gz JVRXDGBMZUWGNF-SFHVURJKSA-N -1 3 316.401 2.277 20 30 DEEDHM C[C@H](Nc1cccc(C#N)n1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC001412889185 1089637958 /nfs/dbraw/zinc/63/79/58/1089637958.db2.gz DTZUQSUDGCTNMU-QWRGUYRKSA-N -1 3 311.345 2.129 20 30 DEEDHM N#C[C@H]1C[C@@H](F)CN1C(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001165192296 1090078353 /nfs/dbraw/zinc/07/83/53/1090078353.db2.gz SDFMASXQEXCOII-PHDIDXHHSA-N -1 3 308.716 2.404 20 30 DEEDHM CC#CC[C@H](NCc1cc(OC)ccc1OC(F)F)C(=O)[O-] ZINC001119550796 1090412931 /nfs/dbraw/zinc/41/29/31/1090412931.db2.gz NLCXDJRXRKEYLE-LBPRGKRZSA-N -1 3 313.300 2.253 20 30 DEEDHM C=CCOC(=O)N[C@H]1CCCN(Cc2ccc(F)c([O-])c2)C1 ZINC001236715319 1138401019 /nfs/dbraw/zinc/40/10/19/1138401019.db2.gz XFNMOODCADNEBY-ZDUSSCGKSA-N -1 3 308.353 2.408 20 30 DEEDHM Cc1cc([O-])c(CN2CCOC[C@H]2C#N)cc1Br ZINC001237680195 1138752821 /nfs/dbraw/zinc/75/28/21/1138752821.db2.gz ALKFVUVDONJZFX-LLVKDONJSA-N -1 3 311.179 2.188 20 30 DEEDHM CN1CCN(c2cc(-c3ccc(/C=N/[O-])c(F)c3)ccn2)CC1 ZINC001238825888 1138880150 /nfs/dbraw/zinc/88/01/50/1138880150.db2.gz PDLRSSWEQSVQHQ-UDWIEESQSA-N -1 3 314.364 2.448 20 30 DEEDHM CC#CCNC(=O)c1c[n-]c2ccc(Br)cc2c1=O ZINC001295809768 1139573004 /nfs/dbraw/zinc/57/30/04/1139573004.db2.gz YWSPCHYQEDUAKL-UHFFFAOYSA-N -1 3 319.158 2.044 20 30 DEEDHM COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C#N)cc1OC ZINC001241407991 1139803943 /nfs/dbraw/zinc/80/39/43/1139803943.db2.gz BAOOPOGGTNTGTG-UHFFFAOYSA-N -1 3 307.313 2.423 20 30 DEEDHM COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C#N)cc1OC ZINC001241407991 1139803947 /nfs/dbraw/zinc/80/39/47/1139803947.db2.gz BAOOPOGGTNTGTG-UHFFFAOYSA-N -1 3 307.313 2.423 20 30 DEEDHM C=CCO[N-]C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC001297991277 1139940920 /nfs/dbraw/zinc/94/09/20/1139940920.db2.gz NBUOOSCNXZUKKS-UHFFFAOYSA-N -1 3 315.123 2.134 20 30 DEEDHM COc1ccc(-c2cc(-c3nnn[n-]3)ccc2OC)cc1C#N ZINC001244709775 1140423051 /nfs/dbraw/zinc/42/30/51/1140423051.db2.gz HQJAPUZLILGKPQ-UHFFFAOYSA-N -1 3 307.313 2.423 20 30 DEEDHM COc1ccc(-c2cc(-c3nn[n-]n3)ccc2OC)cc1C#N ZINC001244709775 1140423066 /nfs/dbraw/zinc/42/30/66/1140423066.db2.gz HQJAPUZLILGKPQ-UHFFFAOYSA-N -1 3 307.313 2.423 20 30 DEEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CC=C(C)CC1 ZINC001340732202 1143418837 /nfs/dbraw/zinc/41/88/37/1143418837.db2.gz CTVFCAHLOHWSBX-UHFFFAOYSA-N -1 3 305.773 2.059 20 30 DEEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CC=C(C)CC1 ZINC001340732202 1143418846 /nfs/dbraw/zinc/41/88/46/1143418846.db2.gz CTVFCAHLOHWSBX-UHFFFAOYSA-N -1 3 305.773 2.059 20 30 DEEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c(F)c(F)ccc2CO)cc1 ZINC001258131762 1143975828 /nfs/dbraw/zinc/97/58/28/1143975828.db2.gz CJTCBNRRHZNBKG-UHFFFAOYSA-N -1 3 324.308 2.130 20 30 DEEDHM N#Cc1cccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C(F)(F)F)c1Cl ZINC001364079267 1144978325 /nfs/dbraw/zinc/97/83/25/1144978325.db2.gz YCJQZFKDOUWTGD-HTQZYQBOSA-N -1 3 324.711 2.441 20 30 DEEDHM COc1ccccc1C[N-]S(=O)(=O)c1ccsc1C#N ZINC001364772823 1145554408 /nfs/dbraw/zinc/55/44/08/1145554408.db2.gz MMEVBYPGHDUQQU-UHFFFAOYSA-N -1 3 308.384 2.107 20 30 DEEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(C)c1)C(F)(F)F ZINC001365753364 1145997653 /nfs/dbraw/zinc/99/76/53/1145997653.db2.gz XPOJEGURFAURAY-LLVKDONJSA-N -1 3 306.309 2.486 20 30 DEEDHM C#CCCCCC(=O)N(C)C[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001287599046 1146695895 /nfs/dbraw/zinc/69/58/95/1146695895.db2.gz VUMBUNRXKVGMPI-CQSZACIVSA-N -1 3 316.401 2.163 20 30 DEEDHM O=C(c1cc2n[nH]nc2cc1F)N([O-])Cc1ccc(F)cc1 ZINC001306900285 1147393357 /nfs/dbraw/zinc/39/33/57/1147393357.db2.gz LNTZUOYMHLYWEP-UHFFFAOYSA-N -1 3 304.256 2.268 20 30 DEEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCSC2)c(Cl)c1 ZINC000166466445 197692682 /nfs/dbraw/zinc/69/26/82/197692682.db2.gz XHWMZKGXFRLTSP-SNVBAGLBSA-N -1 3 316.835 2.386 20 30 DEEDHM CCOCc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000286798739 219171490 /nfs/dbraw/zinc/17/14/90/219171490.db2.gz YOEMUAVFBADZIL-UHFFFAOYSA-N -1 3 320.370 2.166 20 30 DEEDHM C=CCCC[N-]S(=O)(=O)c1ccc(Br)cn1 ZINC000279811176 215166007 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2.151 20 30 DEEDHM COc1cc([O-])ccc1C(=O)Nc1n[nH]c2cccc(C#N)c21 ZINC001197152477 798155909 /nfs/dbraw/zinc/15/59/09/798155909.db2.gz JAMABXTZIAIHGS-UHFFFAOYSA-N -1 3 308.297 2.401 20 30 DEEDHM N#Cc1c(F)ccc([N-]S(=O)(=O)Cc2cccnc2)c1F ZINC001197458580 798197042 /nfs/dbraw/zinc/19/70/42/798197042.db2.gz UMZGDDQZTLJKRA-UHFFFAOYSA-N -1 3 309.297 2.173 20 30 DEEDHM N#Cc1ccc([O-])c(NC(=S)NCCN2CCCCC2)c1 ZINC001200431334 798636605 /nfs/dbraw/zinc/63/66/05/798636605.db2.gz WIZOBEGLTXDYNM-UHFFFAOYSA-N -1 3 304.419 2.036 20 30 DEEDHM Cc1cc(N[C@@H]2C(=O)N([O-])C[C@@H]2C)nc(-c2ccsc2)n1 ZINC001160176550 798658813 /nfs/dbraw/zinc/65/88/13/798658813.db2.gz XGBJWIRQZRDWML-UFBFGSQYSA-N -1 3 304.375 2.162 20 30 DEEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ncccc1OCc1ccccc1 ZINC001160176108 798658854 /nfs/dbraw/zinc/65/88/54/798658854.db2.gz GGCPSRWTKUNBIF-WFASDCNBSA-N -1 3 313.357 2.309 20 30 DEEDHM C#C[C@@H](Oc1nc[n-]c(=O)c1CC(=O)OC)[C@H](CC)CCCC ZINC001230502214 801407750 /nfs/dbraw/zinc/40/77/50/801407750.db2.gz WWQVQNOWAROEPC-TZMCWYRMSA-N -1 3 320.389 2.495 20 30 DEEDHM N#Cc1ccc([O-])c(NC2=CCN(C(=O)C(F)(F)F)CC2)c1 ZINC001213741542 801639206 /nfs/dbraw/zinc/63/92/06/801639206.db2.gz HHGRPCCUBYHLFV-UHFFFAOYSA-N -1 3 311.263 2.354 20 30 DEEDHM COc1ccc(CN2CCC3SC(=O)C=C3C2)cc1C(=O)[O-] ZINC001231749869 801725227 /nfs/dbraw/zinc/72/52/27/801725227.db2.gz BDYCKVUKEOCPLZ-CQSZACIVSA-N -1 3 319.382 2.168 20 30 DEEDHM N#Cc1cc([O-])cc(O[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC001234144980 802308720 /nfs/dbraw/zinc/30/87/20/802308720.db2.gz YROMVOVIJRVMNJ-KRWDZBQOSA-N -1 3 308.337 2.444 20 30 DEEDHM C=C[C@H](CC(=O)OC(C)(C)C)Oc1cccc([O-])c1C(N)=O ZINC001234146904 802309389 /nfs/dbraw/zinc/30/93/89/802309389.db2.gz IXVFTWAVCXOTMP-SNVBAGLBSA-N -1 3 307.346 2.156 20 30 DEEDHM C#C[C@H](Oc1[n-]c(=O)nc2ccc(C(N)=O)cc21)c1ccccc1 ZINC001234518547 802399715 /nfs/dbraw/zinc/39/97/15/802399715.db2.gz MWCWRQZYTYYUNV-HNNXBMFYSA-N -1 3 319.320 2.188 20 30 DEEDHM C[C@H]1[C@H](O/C(=N\[O-])c2ccccn2)CN1C(=O)OC(C)(C)C 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DEEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)c1ccc(C#N)o1 ZINC001575510105 949120812 /nfs/dbraw/zinc/12/08/12/949120812.db2.gz GEHICNWVRFLYCG-JTQLQIEISA-N -1 3 322.328 2.165 20 30 DEEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)c1ccc(C#N)o1 ZINC001575510105 949120824 /nfs/dbraw/zinc/12/08/24/949120824.db2.gz GEHICNWVRFLYCG-JTQLQIEISA-N -1 3 322.328 2.165 20 30 DEEDHM C=C(C)C[C@H](NCc1csc(-c2ccn(C)n2)n1)C(=O)[O-] ZINC001353953311 962688462 /nfs/dbraw/zinc/68/84/62/962688462.db2.gz CTLQJEJAFMVRFV-LBPRGKRZSA-N -1 3 306.391 2.053 20 30 DEEDHM C=C(CCC(=O)[O-])C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001588607166 983700256 /nfs/dbraw/zinc/70/02/56/983700256.db2.gz VBCZCHYZEBTUIR-INIZCTEOSA-N -1 3 316.401 2.140 20 30 DEEDHM C=C[C@@H](N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C(=O)[O-] ZINC001588702751 983921525 /nfs/dbraw/zinc/92/15/25/983921525.db2.gz XKOHINITDNCFMC-CKYFFXLPSA-N -1 3 301.264 2.150 20 30 DEEDHM C=CCN1CCC(NC(=O)Nc2cc(C)cc(C(=O)[O-])c2)CC1 ZINC001588838878 984342550 /nfs/dbraw/zinc/34/25/50/984342550.db2.gz LVEKOPNQQADZIW-UHFFFAOYSA-N -1 3 317.389 2.465 20 30 DEEDHM C[C@@H]1CN(CCC(=O)[O-])CCN1CC#Cc1ccccc1Cl ZINC001594522782 986013627 /nfs/dbraw/zinc/01/36/27/986013627.db2.gz XBOSLKCXZILVEK-CQSZACIVSA-N -1 3 320.820 2.172 20 30 DEEDHM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1 ZINC001589633860 987547713 /nfs/dbraw/zinc/54/77/13/987547713.db2.gz IUNWIMQVIMZSNP-AWEZNQCLSA-N -1 3 317.389 2.399 20 30 DEEDHM C#C[C@@H](C)OC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001602689285 1069725655 /nfs/dbraw/zinc/72/56/55/1069725655.db2.gz CQKMBFHDDNWYCX-GFCCVEGCSA-N -1 3 310.357 2.243 20 30 DEEDHM C#C[C@@H](C)OC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001602689285 1069725663 /nfs/dbraw/zinc/72/56/63/1069725663.db2.gz CQKMBFHDDNWYCX-GFCCVEGCSA-N -1 3 310.357 2.243 20 30 DEEDHM C#CCC(C)(C)C(=O)Nc1n[nH]c2cc(-c3nnn[n-]3)c(C)cc21 ZINC001602696572 1069729685 /nfs/dbraw/zinc/72/96/85/1069729685.db2.gz KJTYYMLEZKKJKD-UHFFFAOYSA-N -1 3 323.360 2.039 20 30 DEEDHM C#CCC(C)(C)C(=O)Nc1n[nH]c2cc(-c3nn[n-]n3)c(C)cc21 ZINC001602696572 1069729695 /nfs/dbraw/zinc/72/96/95/1069729695.db2.gz KJTYYMLEZKKJKD-UHFFFAOYSA-N -1 3 323.360 2.039 20 30 DEEDHM C#CC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001602699832 1069729981 /nfs/dbraw/zinc/72/99/81/1069729981.db2.gz LRNZEYCVVFFQIK-NSHDSACASA-N -1 3 312.333 2.015 20 30 DEEDHM C#CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001602699832 1069729988 /nfs/dbraw/zinc/72/99/88/1069729988.db2.gz LRNZEYCVVFFQIK-NSHDSACASA-N -1 3 312.333 2.015 20 30 DEEDHM C#CCC(C)(C)COC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001602696093 1069730392 /nfs/dbraw/zinc/73/03/92/1069730392.db2.gz AIPCPAIOIHAWNI-UHFFFAOYSA-N -1 3 314.345 2.082 20 30 DEEDHM C#CCC(C)(C)COC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001602696093 1069730401 /nfs/dbraw/zinc/73/04/01/1069730401.db2.gz AIPCPAIOIHAWNI-UHFFFAOYSA-N -1 3 314.345 2.082 20 30 DEEDHM C#CCC1(NC(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)CCC1 ZINC001602698931 1069730834 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C#CCN1CCC(C(=O)Nc2scc(C)c2C(=O)[O-])CC1 ZINC001602720945 1069736641 /nfs/dbraw/zinc/73/66/41/1069736641.db2.gz MYHCRFAGVSMIRD-UHFFFAOYSA-N -1 3 306.387 2.038 20 30 DEEDHM C=C(Br)COc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602748906 1069743166 /nfs/dbraw/zinc/74/31/66/1069743166.db2.gz IWFJGOFAZRQETI-UHFFFAOYSA-N -1 3 311.139 2.163 20 30 DEEDHM C=C(Br)COc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602748906 1069743175 /nfs/dbraw/zinc/74/31/75/1069743175.db2.gz IWFJGOFAZRQETI-UHFFFAOYSA-N -1 3 311.139 2.163 20 30 DEEDHM C=C(C)C[C@@H](C)C(=O)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001602752596 1069743665 /nfs/dbraw/zinc/74/36/65/1069743665.db2.gz FMZJBJMAVDBZMA-MRVPVSSYSA-N -1 3 301.354 2.008 20 30 DEEDHM C=CC(C)(C)C(=O)OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001602785308 1069753088 /nfs/dbraw/zinc/75/30/88/1069753088.db2.gz QAIFSNVVSLQEKD-UHFFFAOYSA-N -1 3 316.361 2.391 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602790709 1069756810 /nfs/dbraw/zinc/75/68/10/1069756810.db2.gz RPASHNRNEYJRER-HNNXBMFYSA-N -1 3 303.341 2.224 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602790709 1069756815 /nfs/dbraw/zinc/75/68/15/1069756815.db2.gz RPASHNRNEYJRER-HNNXBMFYSA-N -1 3 303.341 2.224 20 30 DEEDHM C=CCC(F)(F)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001602815912 1069764032 /nfs/dbraw/zinc/76/40/32/1069764032.db2.gz FBKDLNUGLJOKFK-VIFPVBQESA-N -1 3 307.304 2.255 20 30 DEEDHM C=CCC(F)(F)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001602815912 1069764036 /nfs/dbraw/zinc/76/40/36/1069764036.db2.gz FBKDLNUGLJOKFK-VIFPVBQESA-N -1 3 307.304 2.255 20 30 DEEDHM C=CC[C@@H]1CCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602822912 1069765550 /nfs/dbraw/zinc/76/55/50/1069765550.db2.gz FUZQWAVZBYOFGQ-SNVBAGLBSA-N -1 3 302.313 2.188 20 30 DEEDHM C=CC[C@@H]1CCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602822912 1069765555 /nfs/dbraw/zinc/76/55/55/1069765555.db2.gz FUZQWAVZBYOFGQ-SNVBAGLBSA-N -1 3 302.313 2.188 20 30 DEEDHM C=CC[C@@H]1CCN(C(=O)Nc2cc(C)c(-c3nnn[n-]3)cn2)C1 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DEEDHM C=CCO[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001602866515 1069782772 /nfs/dbraw/zinc/78/27/72/1069782772.db2.gz COIRPMPPNWENNL-LLVKDONJSA-N -1 3 305.769 2.301 20 30 DEEDHM C=CCO[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001602866515 1069782781 /nfs/dbraw/zinc/78/27/81/1069782781.db2.gz COIRPMPPNWENNL-LLVKDONJSA-N -1 3 305.769 2.301 20 30 DEEDHM CC(=Cc1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001602906575 1069791315 /nfs/dbraw/zinc/79/13/15/1069791315.db2.gz OEGMWWVTVRLRMQ-YFHOEESVSA-N -1 3 320.312 2.373 20 30 DEEDHM CC(=Cc1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001602906575 1069791319 /nfs/dbraw/zinc/79/13/19/1069791319.db2.gz OEGMWWVTVRLRMQ-YFHOEESVSA-N -1 3 320.312 2.373 20 30 DEEDHM C[C@H](C#N)OCCOc1c(-c2nnn[n-]2)ccc2ccccc21 ZINC001602989794 1069825019 /nfs/dbraw/zinc/82/50/19/1069825019.db2.gz SVNIHQWXXBQZCU-LLVKDONJSA-N -1 3 309.329 2.327 20 30 DEEDHM C[C@H](C#N)OCCOc1c(-c2nn[n-]n2)ccc2ccccc21 ZINC001602989794 1069825047 /nfs/dbraw/zinc/82/50/47/1069825047.db2.gz 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HPLFZDUZNFQRBS-UHFFFAOYSA-N -1 3 310.361 2.243 20 30 DEEDHM C#CCCCC(=O)Nc1nc2c(cc1-c1nnn[n-]1)C[C@H](C)CC2 ZINC001588340937 1076442197 /nfs/dbraw/zinc/44/21/97/1076442197.db2.gz MVMVOFSWJHJSPN-LLVKDONJSA-N -1 3 324.388 2.129 20 30 DEEDHM C#CCCCC(=O)Nc1nc2c(cc1-c1nn[n-]n1)C[C@H](C)CC2 ZINC001588340937 1076442200 /nfs/dbraw/zinc/44/22/00/1076442200.db2.gz MVMVOFSWJHJSPN-LLVKDONJSA-N -1 3 324.388 2.129 20 30 DEEDHM C#Cc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC001588375423 1076444497 /nfs/dbraw/zinc/44/44/97/1076444497.db2.gz VGHORYHOZBUBTQ-UHFFFAOYSA-N -1 3 315.340 2.108 20 30 DEEDHM C#Cc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC001588375423 1076444500 /nfs/dbraw/zinc/44/45/00/1076444500.db2.gz VGHORYHOZBUBTQ-UHFFFAOYSA-N -1 3 315.340 2.108 20 30 DEEDHM C=C(C)CN(CC)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588426309 1076447612 /nfs/dbraw/zinc/44/76/12/1076447612.db2.gz RXCYZAIUDFABKX-UHFFFAOYSA-N -1 3 304.329 2.436 20 30 DEEDHM C=C(C)CN(CC)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588426309 1076447615 /nfs/dbraw/zinc/44/76/15/1076447615.db2.gz RXCYZAIUDFABKX-UHFFFAOYSA-N -1 3 304.329 2.436 20 30 DEEDHM C=CC[C@@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588539343 1076452753 /nfs/dbraw/zinc/45/27/53/1076452753.db2.gz HSVYNBFIVSBYPU-RISCZKNCSA-N -1 3 311.345 2.057 20 30 DEEDHM C=CC[C@@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588539343 1076452755 /nfs/dbraw/zinc/45/27/55/1076452755.db2.gz HSVYNBFIVSBYPU-RISCZKNCSA-N -1 3 311.345 2.057 20 30 DEEDHM C=CC[C@H](CO)CNc1ncc(-c2nnn[n-]2)c2ccsc21 ZINC001588545544 1076453867 /nfs/dbraw/zinc/45/38/67/1076453867.db2.gz IKJHQEUNGSBBDP-VIFPVBQESA-N -1 3 316.390 2.073 20 30 DEEDHM C=CC[C@H](CO)CNc1ncc(-c2nn[n-]n2)c2ccsc21 ZINC001588545544 1076453870 /nfs/dbraw/zinc/45/38/70/1076453870.db2.gz IKJHQEUNGSBBDP-VIFPVBQESA-N -1 3 316.390 2.073 20 30 DEEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588558809 1076454194 /nfs/dbraw/zinc/45/41/94/1076454194.db2.gz DLXGPLOFBRMJAA-YPMHNXCESA-N -1 3 312.377 2.126 20 30 DEEDHM C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588558809 1076454197 /nfs/dbraw/zinc/45/41/97/1076454197.db2.gz DLXGPLOFBRMJAA-YPMHNXCESA-N -1 3 312.377 2.126 20 30 DEEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588563858 1076455132 /nfs/dbraw/zinc/45/51/32/1076455132.db2.gz CTSHHFYPXYGOLX-NSHDSACASA-N -1 3 314.349 2.058 20 30 DEEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588563858 1076455135 /nfs/dbraw/zinc/45/51/35/1076455135.db2.gz CTSHHFYPXYGOLX-NSHDSACASA-N -1 3 314.349 2.058 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588610592 1076457408 /nfs/dbraw/zinc/45/74/08/1076457408.db2.gz IKULNSVWIDWHFM-LBPRGKRZSA-N -1 3 316.361 2.200 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588610592 1076457409 /nfs/dbraw/zinc/45/74/09/1076457409.db2.gz IKULNSVWIDWHFM-LBPRGKRZSA-N -1 3 316.361 2.200 20 30 DEEDHM CC(C)(C)n1cc(Nc2c(C#N)cccc2-c2nnn[n-]2)cn1 ZINC001589260398 1076482170 /nfs/dbraw/zinc/48/21/70/1076482170.db2.gz KYSUUFULTCWQAH-UHFFFAOYSA-N -1 3 308.349 2.433 20 30 DEEDHM CC(C)(C)n1cc(Nc2c(C#N)cccc2-c2nn[n-]n2)cn1 ZINC001589260398 1076482174 /nfs/dbraw/zinc/48/21/74/1076482174.db2.gz KYSUUFULTCWQAH-UHFFFAOYSA-N -1 3 308.349 2.433 20 30 DEEDHM CC(C)c1nc(-c2nn[n-]n2)c(NNC=CC(F)(F)F)o1 ZINC001589774046 1076513857 /nfs/dbraw/zinc/51/38/57/1076513857.db2.gz RTMJNJQQWZECFH-UHFFFAOYSA-N -1 3 303.248 2.328 20 30 DEEDHM CC(C)n1cc(C=C2Cc3ccc(-c4nnn[n-]4)cc3C2=O)cn1 ZINC001589781664 1076514602 /nfs/dbraw/zinc/51/46/02/1076514602.db2.gz BEZLVFCLOJRXDL-LHHJGKSTSA-N -1 3 320.356 2.467 20 30 DEEDHM CC(C)n1cc(C=C2Cc3ccc(-c4nn[n-]n4)cc3C2=O)cn1 ZINC001589781664 1076514605 /nfs/dbraw/zinc/51/46/05/1076514605.db2.gz BEZLVFCLOJRXDL-LHHJGKSTSA-N -1 3 320.356 2.467 20 30 DEEDHM C[C@@H](CC#N)C(=O)OCc1cc(Cl)cc(-c2nnn[n-]2)c1 ZINC001589788150 1076516337 /nfs/dbraw/zinc/51/63/37/1076516337.db2.gz VBNGAEGMVHBLRE-QMMMGPOBSA-N -1 3 305.725 2.113 20 30 DEEDHM C[C@@H](CC#N)C(=O)OCc1cc(Cl)cc(-c2nn[n-]n2)c1 ZINC001589788150 1076516339 /nfs/dbraw/zinc/51/63/39/1076516339.db2.gz VBNGAEGMVHBLRE-QMMMGPOBSA-N -1 3 305.725 2.113 20 30 DEEDHM C[C@]1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC=CCC1 ZINC001590071040 1076555714 /nfs/dbraw/zinc/55/57/14/1076555714.db2.gz QYKUVUYTHRJFSF-INIZCTEOSA-N -1 3 308.345 2.423 20 30 DEEDHM C[C@]1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC=CCC1 ZINC001590071040 1076555717 /nfs/dbraw/zinc/55/57/17/1076555717.db2.gz QYKUVUYTHRJFSF-INIZCTEOSA-N -1 3 308.345 2.423 20 30 DEEDHM CC1(C)C[C@@H](NN=Cc2ccccc2-c2nnn[n-]2)C(C)(C)O1 ZINC001590084003 1076557494 /nfs/dbraw/zinc/55/74/94/1076557494.db2.gz RKWCXRNIFKWLTK-CYBMUJFWSA-N -1 3 314.393 2.136 20 30 DEEDHM CC1(C)C[C@@H](NN=Cc2ccccc2-c2nn[n-]n2)C(C)(C)O1 ZINC001590084003 1076557498 /nfs/dbraw/zinc/55/74/98/1076557498.db2.gz RKWCXRNIFKWLTK-CYBMUJFWSA-N -1 3 314.393 2.136 20 30 DEEDHM CC[C@@H](CC#N)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001590420274 1076625670 /nfs/dbraw/zinc/62/56/70/1076625670.db2.gz VJKADDHJFUNJDL-VIFPVBQESA-N -1 3 319.756 2.334 20 30 DEEDHM CC[C@@H](CC#N)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001590420274 1076625674 /nfs/dbraw/zinc/62/56/74/1076625674.db2.gz VJKADDHJFUNJDL-VIFPVBQESA-N -1 3 319.756 2.334 20 30 DEEDHM CC[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@@H](CC)O1 ZINC001590522606 1076646499 /nfs/dbraw/zinc/64/64/99/1076646499.db2.gz RKNGDDWEZPVFTQ-CHWSQXEVSA-N -1 3 312.377 2.132 20 30 DEEDHM CC[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@@H](CC)O1 ZINC001590522606 1076646502 /nfs/dbraw/zinc/64/65/02/1076646502.db2.gz RKNGDDWEZPVFTQ-CHWSQXEVSA-N -1 3 312.377 2.132 20 30 DEEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)C#CC1CC1 ZINC001590628186 1076662309 /nfs/dbraw/zinc/66/23/09/1076662309.db2.gz SMOICHRWTNZULG-UHFFFAOYSA-N -1 3 309.373 2.019 20 30 DEEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)C#CC1CC1 ZINC001590628186 1076662311 /nfs/dbraw/zinc/66/23/11/1076662311.db2.gz SMOICHRWTNZULG-UHFFFAOYSA-N -1 3 309.373 2.019 20 30 DEEDHM CCOC(=O)C[C@@H](C)Sc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590760945 1076673481 /nfs/dbraw/zinc/67/34/81/1076673481.db2.gz IRXMOOAFUSIBGZ-SECBINFHSA-N -1 3 317.374 2.172 20 30 DEEDHM CCOC(=O)C[C@@H](C)Sc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590760945 1076673484 /nfs/dbraw/zinc/67/34/84/1076673484.db2.gz IRXMOOAFUSIBGZ-SECBINFHSA-N -1 3 317.374 2.172 20 30 DEEDHM COC(=O)c1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001591292066 1076718185 /nfs/dbraw/zinc/71/81/85/1076718185.db2.gz NFVLJSJNVNNIAL-UHFFFAOYSA-N -1 3 322.328 2.099 20 30 DEEDHM COC(=O)c1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001591292066 1076718186 /nfs/dbraw/zinc/71/81/86/1076718186.db2.gz NFVLJSJNVNNIAL-UHFFFAOYSA-N -1 3 322.328 2.099 20 30 DEEDHM COCC[C@@H]1CCCC1N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001591402107 1076740879 /nfs/dbraw/zinc/74/08/79/1076740879.db2.gz AOMYPAPYTHRJTA-NSHDSACASA-N -1 3 300.366 2.471 20 30 DEEDHM COCC[C@@H]1CCCC1N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001591402107 1076740882 /nfs/dbraw/zinc/74/08/82/1076740882.db2.gz AOMYPAPYTHRJTA-NSHDSACASA-N -1 3 300.366 2.471 20 30 DEEDHM COc1cc(C=NN2CCCC[C@@H]2C)ccc1-c1nnn[n-]1 ZINC001591522678 1076754336 /nfs/dbraw/zinc/75/43/36/1076754336.db2.gz JQGYJAMCKYPTCZ-NSHDSACASA-N -1 3 300.366 2.084 20 30 DEEDHM COc1cc(C=NN2CCCC[C@@H]2C)ccc1-c1nn[n-]n1 ZINC001591522678 1076754340 /nfs/dbraw/zinc/75/43/40/1076754340.db2.gz JQGYJAMCKYPTCZ-NSHDSACASA-N -1 3 300.366 2.084 20 30 DEEDHM COc1cc(CNc2ccc(F)cc2-c2nnn[n-]2)ccc1C#N ZINC001591535860 1076755177 /nfs/dbraw/zinc/75/51/77/1076755177.db2.gz MRHMHDXLKAXAKF-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1cc(CNc2ccc(F)cc2-c2nn[n-]n2)ccc1C#N ZINC001591535860 1076755180 /nfs/dbraw/zinc/75/51/80/1076755180.db2.gz MRHMHDXLKAXAKF-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM CSCCON=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC001591701167 1076776718 /nfs/dbraw/zinc/77/67/18/1076776718.db2.gz GNYUCLDBOCKMIQ-UHFFFAOYSA-N -1 3 302.363 2.062 20 30 DEEDHM CSCCON=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC001591701167 1076776723 /nfs/dbraw/zinc/77/67/23/1076776723.db2.gz GNYUCLDBOCKMIQ-UHFFFAOYSA-N -1 3 302.363 2.062 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)ccc1COc1ccc(F)nc1C#N ZINC001591867204 1076800696 /nfs/dbraw/zinc/80/06/96/1076800696.db2.gz QFNACDFFSATOOB-UHFFFAOYSA-N -1 3 310.292 2.160 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)ccc1COc1ccc(F)nc1C#N ZINC001591867204 1076800699 /nfs/dbraw/zinc/80/06/99/1076800699.db2.gz QFNACDFFSATOOB-UHFFFAOYSA-N -1 3 310.292 2.160 20 30 DEEDHM Cc1cc(N(C)CC(C)(C)C#N)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591993786 1076827820 /nfs/dbraw/zinc/82/78/20/1076827820.db2.gz GEGBDMVADVDWQJ-UHFFFAOYSA-N -1 3 315.337 2.069 20 30 DEEDHM Cc1cc(N(C)CC(C)(C)C#N)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591993786 1076827826 /nfs/dbraw/zinc/82/78/26/1076827826.db2.gz GEGBDMVADVDWQJ-UHFFFAOYSA-N -1 3 315.337 2.069 20 30 DEEDHM Cc1cc(NCc2ccc(CC#N)cc2)ncc1-c1nnn[n-]1 ZINC001592052671 1076838921 /nfs/dbraw/zinc/83/89/21/1076838921.db2.gz SBXTYVKVLWETRN-UHFFFAOYSA-N -1 3 305.345 2.248 20 30 DEEDHM Cc1cc(NCc2ccc(CC#N)cc2)ncc1-c1nn[n-]n1 ZINC001592052671 1076838926 /nfs/dbraw/zinc/83/89/26/1076838926.db2.gz SBXTYVKVLWETRN-UHFFFAOYSA-N -1 3 305.345 2.248 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(C)c(C#N)c2)n1 ZINC001592092433 1076844738 /nfs/dbraw/zinc/84/47/38/1076844738.db2.gz WCZVYZXYZZTFLR-UHFFFAOYSA-N -1 3 305.345 2.362 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)c(NCc2ccc(C)c(C#N)c2)n1 ZINC001592092433 1076844742 /nfs/dbraw/zinc/84/47/42/1076844742.db2.gz WCZVYZXYZZTFLR-UHFFFAOYSA-N -1 3 305.345 2.362 20 30 DEEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCC(C)(C)CC#N ZINC001592243283 1076879969 /nfs/dbraw/zinc/87/99/69/1076879969.db2.gz TYPHHKFKZZVYQJ-UHFFFAOYSA-N -1 3 321.388 2.497 20 30 DEEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCC(C)(C)CC#N ZINC001592243283 1076879976 /nfs/dbraw/zinc/87/99/76/1076879976.db2.gz TYPHHKFKZZVYQJ-UHFFFAOYSA-N -1 3 321.388 2.497 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC[C@@H]1CCCC1(F)F ZINC001592341026 1076900650 /nfs/dbraw/zinc/90/06/50/1076900650.db2.gz 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/nfs/dbraw/zinc/74/12/02/1069741202.db2.gz XEXVLLLNKJCWHS-UHFFFAOYSA-N -1 3 317.352 2.086 20 30 DEEDHM C=C(CCC(=O)[O-])C(=O)NC[C@H](c1ccc(CC)cc1)N(C)C ZINC001602781876 1069753302 /nfs/dbraw/zinc/75/33/02/1069753302.db2.gz FGJANUUBCISAES-MRXNPFEDSA-N -1 3 318.417 2.389 20 30 DEEDHM C=C[C@](C)(CC)C(=O)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001602793642 1069756970 /nfs/dbraw/zinc/75/69/70/1069756970.db2.gz DVSZVRZKRCYTMV-CQSZACIVSA-N -1 3 301.354 2.008 20 30 DEEDHM C=CC[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccncc1 ZINC001602815949 1069764287 /nfs/dbraw/zinc/76/42/87/1069764287.db2.gz FSJBTYJBWAJDHT-LLVKDONJSA-N -1 3 313.390 2.125 20 30 DEEDHM C=CC[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccncc1 ZINC001602815949 1069764301 /nfs/dbraw/zinc/76/43/01/1069764301.db2.gz FSJBTYJBWAJDHT-LLVKDONJSA-N -1 3 313.390 2.125 20 30 DEEDHM C=CCCCCNC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1 ZINC001602837779 1069771041 /nfs/dbraw/zinc/77/10/41/1069771041.db2.gz HLDZRLWXPKEFTG-UHFFFAOYSA-N -1 3 310.361 2.434 20 30 DEEDHM C=CCCCCNC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1 ZINC001602837779 1069771048 /nfs/dbraw/zinc/77/10/48/1069771048.db2.gz HLDZRLWXPKEFTG-UHFFFAOYSA-N -1 3 310.361 2.434 20 30 DEEDHM C=CCCCCCNC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001602837984 1069771167 /nfs/dbraw/zinc/77/11/67/1069771167.db2.gz KZLRRIQFWRGMCZ-UHFFFAOYSA-N -1 3 320.784 2.391 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC1(C#N)CC1 ZINC001602854255 1069778275 /nfs/dbraw/zinc/77/82/75/1069778275.db2.gz ZRPWYCRDBMXKJR-UHFFFAOYSA-N -1 3 322.372 2.075 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC1(C#N)CC1 ZINC001602854255 1069778283 /nfs/dbraw/zinc/77/82/83/1069778283.db2.gz ZRPWYCRDBMXKJR-UHFFFAOYSA-N -1 3 322.372 2.075 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC12CC2 ZINC001602853812 1069778460 /nfs/dbraw/zinc/77/84/60/1069778460.db2.gz IYHXJJLBYSLQET-CQSZACIVSA-N -1 3 309.373 2.181 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC12CC2 ZINC001602853812 1069778465 /nfs/dbraw/zinc/77/84/65/1069778465.db2.gz IYHXJJLBYSLQET-CQSZACIVSA-N -1 3 309.373 2.181 20 30 DEEDHM COCCOc1cc(C([O-])=C(C#N)c2cccc(F)n2)ccn1 ZINC001524711432 1070022245 /nfs/dbraw/zinc/02/22/45/1070022245.db2.gz AFMSTJUJVHXFTO-GFCCVEGCSA-N -1 3 315.304 2.131 20 30 DEEDHM C[C@H]1CCCCN1N=Cc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001603894613 1070141884 /nfs/dbraw/zinc/14/18/84/1070141884.db2.gz HAASBELTCHPWAG-VIFPVBQESA-N -1 3 306.320 2.353 20 30 DEEDHM C[C@H]1CCCCN1N=Cc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001603894613 1070141885 /nfs/dbraw/zinc/14/18/85/1070141885.db2.gz HAASBELTCHPWAG-VIFPVBQESA-N -1 3 306.320 2.353 20 30 DEEDHM CC[C@@H](CC#N)OC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001604014281 1070176289 /nfs/dbraw/zinc/17/62/89/1070176289.db2.gz SZEWHCCJEUWYPY-ZDUSSCGKSA-N -1 3 311.345 2.134 20 30 DEEDHM CC[C@@H](CC#N)OC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001604014281 1070176294 /nfs/dbraw/zinc/17/62/94/1070176294.db2.gz SZEWHCCJEUWYPY-ZDUSSCGKSA-N -1 3 311.345 2.134 20 30 DEEDHM CCCCCCN([O-])C(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC001604176645 1070264524 /nfs/dbraw/zinc/26/45/24/1070264524.db2.gz UWZYCWSWDVFSHQ-UHFFFAOYSA-N -1 3 319.365 2.044 20 30 DEEDHM C[C@H](NCc1nc(C#N)cs1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001604349335 1070343752 /nfs/dbraw/zinc/34/37/52/1070343752.db2.gz NMZFVMZLOBDSPY-FZMZJTMJSA-N -1 3 315.398 2.436 20 30 DEEDHM CCOC(=O)[C@@H](CC)Sc1c(C#N)cccc1-c1nnn[n-]1 ZINC001604360775 1070349431 /nfs/dbraw/zinc/34/94/31/1070349431.db2.gz BHFBYQWEGPBNLV-LLVKDONJSA-N -1 3 317.374 2.172 20 30 DEEDHM CCOC(=O)[C@@H](CC)Sc1c(C#N)cccc1-c1nn[n-]n1 ZINC001604360775 1070349448 /nfs/dbraw/zinc/34/94/48/1070349448.db2.gz BHFBYQWEGPBNLV-LLVKDONJSA-N -1 3 317.374 2.172 20 30 DEEDHM COc1cc(F)ccc1NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001605223867 1070649298 /nfs/dbraw/zinc/64/92/98/1070649298.db2.gz IFVDFSLGOPBCCM-UHFFFAOYSA-N -1 3 312.308 2.460 20 30 DEEDHM COc1cc(F)ccc1NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001605223867 1070649309 /nfs/dbraw/zinc/64/93/09/1070649309.db2.gz IFVDFSLGOPBCCM-UHFFFAOYSA-N -1 3 312.308 2.460 20 30 DEEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1O ZINC001605255070 1070662425 /nfs/dbraw/zinc/66/24/25/1070662425.db2.gz DBZWMBQMNKTVCA-VURMDHGXSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1O ZINC001605255070 1070662429 /nfs/dbraw/zinc/66/24/29/1070662429.db2.gz DBZWMBQMNKTVCA-VURMDHGXSA-N -1 3 322.324 2.477 20 30 DEEDHM Cc1cc(C(=O)N2CCC[C@@H](CC#N)C2)cc(C)c1-c1nnn[n-]1 ZINC001605595153 1070773529 /nfs/dbraw/zinc/77/35/29/1070773529.db2.gz ICWQPNXDXUXIDV-ZDUSSCGKSA-N -1 3 324.388 2.249 20 30 DEEDHM Cc1cc(C(=O)N2CCC[C@@H](CC#N)C2)cc(C)c1-c1nn[n-]n1 ZINC001605595153 1070773533 /nfs/dbraw/zinc/77/35/33/1070773533.db2.gz ICWQPNXDXUXIDV-ZDUSSCGKSA-N -1 3 324.388 2.249 20 30 DEEDHM Cc1cc(C(=O)N[C@@H](C#N)C2CCCC2)cc(C)c1-c1nnn[n-]1 ZINC001605602830 1070777048 /nfs/dbraw/zinc/77/70/48/1070777048.db2.gz XXHHYOZPSAIHPK-AWEZNQCLSA-N -1 3 324.388 2.296 20 30 DEEDHM Cc1cc(C(=O)N[C@@H](C#N)C2CCCC2)cc(C)c1-c1nn[n-]n1 ZINC001605602830 1070777058 /nfs/dbraw/zinc/77/70/58/1070777058.db2.gz XXHHYOZPSAIHPK-AWEZNQCLSA-N -1 3 324.388 2.296 20 30 DEEDHM Cc1cc(OC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)ccc1C#N ZINC001605747750 1070893384 /nfs/dbraw/zinc/89/33/84/1070893384.db2.gz WUKJLONQZHYFOJ-MRXNPFEDSA-N -1 3 321.340 2.159 20 30 DEEDHM Cc1cc(OC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001605747750 1070893403 /nfs/dbraw/zinc/89/34/03/1070893403.db2.gz WUKJLONQZHYFOJ-MRXNPFEDSA-N -1 3 321.340 2.159 20 30 DEEDHM CN(Cc1ccc(C#N)c(F)c1)[C@H](COC1CCC1)C(=O)[O-] ZINC001606148373 1071051794 /nfs/dbraw/zinc/05/17/94/1071051794.db2.gz FUHMRSOHQSUVBQ-OAHLLOKOSA-N -1 3 306.337 2.151 20 30 DEEDHM Cn1c(Cl)cnc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001606217608 1071084177 /nfs/dbraw/zinc/08/41/77/1071084177.db2.gz MFHQSEGGTDFTDQ-WAYWQWQTSA-N -1 3 314.736 2.150 20 30 DEEDHM Cn1c(Cl)cnc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001606217608 1071084188 /nfs/dbraw/zinc/08/41/88/1071084188.db2.gz MFHQSEGGTDFTDQ-WAYWQWQTSA-N -1 3 314.736 2.150 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC001606379898 1071137063 /nfs/dbraw/zinc/13/70/63/1071137063.db2.gz NSBUUGCRCSMKSQ-OCCSQVGLSA-N -1 3 310.361 2.108 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N[C@@H]1CCO[C@H](C2CC2)C1 ZINC001606379898 1071137070 /nfs/dbraw/zinc/13/70/70/1071137070.db2.gz NSBUUGCRCSMKSQ-OCCSQVGLSA-N -1 3 310.361 2.108 20 30 DEEDHM O=C(C=Cc1csnn1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001606487133 1071152462 /nfs/dbraw/zinc/15/24/62/1071152462.db2.gz GWFDYXLTLMRQAU-DUXPYHPUSA-N -1 3 318.749 2.268 20 30 DEEDHM O=C(C=Cc1csnn1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001606487133 1071152465 /nfs/dbraw/zinc/15/24/65/1071152465.db2.gz GWFDYXLTLMRQAU-DUXPYHPUSA-N -1 3 318.749 2.268 20 30 DEEDHM O=C1C(=Cc2ccc(F)nc2)CCc2cc(-c3nnn[n-]3)cnc21 ZINC001607036515 1071283965 /nfs/dbraw/zinc/28/39/65/1071283965.db2.gz JATZTSXXSVQURN-WZUFQYTHSA-N -1 3 322.303 2.008 20 30 DEEDHM O=C1C(=Cc2ccc(F)nc2)CCc2cc(-c3nn[n-]n3)cnc21 ZINC001607036515 1071283971 /nfs/dbraw/zinc/28/39/71/1071283971.db2.gz JATZTSXXSVQURN-WZUFQYTHSA-N -1 3 322.303 2.008 20 30 DEEDHM C=CCN(C)Cc1ccccc1CNC(=O)c1ncccc1[O-] ZINC001501661304 1059616990 /nfs/dbraw/zinc/61/69/90/1059616990.db2.gz SQQXYCOCMPAYED-UHFFFAOYSA-N -1 3 311.385 2.335 20 30 DEEDHM Cc1ccc(C(=O)Nc2nc3cc(C#N)ccc3[nH]2)c([O-])c1O ZINC001470719600 1060132634 /nfs/dbraw/zinc/13/26/34/1060132634.db2.gz PXXJFSHIRXKAMW-UHFFFAOYSA-N -1 3 308.297 2.407 20 30 DEEDHM CCOC(=O)c1ncc(NC(=O)c2ccc3c(C#N)c[nH]c3c2)[n-]1 ZINC001470842974 1060151754 /nfs/dbraw/zinc/15/17/54/1060151754.db2.gz SETHIALKSDQOML-UHFFFAOYSA-N -1 3 323.312 2.192 20 30 DEEDHM CCOC(=O)c1nc(NC(=O)c2ccc3c(C#N)c[nH]c3c2)c[n-]1 ZINC001470842974 1060151756 /nfs/dbraw/zinc/15/17/56/1060151756.db2.gz SETHIALKSDQOML-UHFFFAOYSA-N -1 3 323.312 2.192 20 30 DEEDHM N#Cc1cc([N+](=O)[O-])c(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)cc1F ZINC001612561321 1078111922 /nfs/dbraw/zinc/11/19/22/1078111922.db2.gz QYWSGQYEULDCQT-MRVPVSSYSA-N -1 3 317.280 2.028 20 30 DEEDHM C=CC(C)(C)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001622523785 1078120461 /nfs/dbraw/zinc/12/04/61/1078120461.db2.gz DJWRVCGFSAMNOU-UHFFFAOYSA-N -1 3 313.379 2.261 20 30 DEEDHM N#Cc1ccccc1C=CC(=O)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001631825471 1078373006 /nfs/dbraw/zinc/37/30/06/1078373006.db2.gz HKJNEJWNJFLZJK-VBROQKIQSA-N -1 3 308.341 2.016 20 30 DEEDHM N#Cc1ccc([O-])c(NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)c1 ZINC001580071723 1067490047 /nfs/dbraw/zinc/49/00/47/1067490047.db2.gz QZNQQNMCQPXMLB-CQSZACIVSA-N -1 3 320.352 2.254 20 30 DEEDHM COc1cccc(-c2cc(C(=O)[N-]c3n[nH]cc3C#N)on2)c1 ZINC001643360782 1078796174 /nfs/dbraw/zinc/79/61/74/1078796174.db2.gz JIMAPCRJQBRNFN-UHFFFAOYSA-N -1 3 309.285 2.197 20 30 DEEDHM CCn1ccnc1C(C#N)=C([O-])c1cnn2c1cccc2OC ZINC001517046143 1068950480 /nfs/dbraw/zinc/95/04/80/1068950480.db2.gz LFDXJDQXXGFRLC-LLVKDONJSA-N -1 3 309.329 2.049 20 30 DEEDHM CC(C)(C)[C@@H]1C[C@H](/N=C2/[N-]S(=O)(=O)c3ccccc32)CCO1 ZINC001647120355 1074804143 /nfs/dbraw/zinc/80/41/43/1074804143.db2.gz CBQSLOVZSKAXAV-RISCZKNCSA-N -1 3 322.430 2.319 20 30 DEEDHM CC(C)(NCc1nc2c(c(=O)[n-]1)COCC2)c1cccc(C#N)c1 ZINC001647369888 1074898824 /nfs/dbraw/zinc/89/88/24/1074898824.db2.gz WTUQSNXYZKFCBP-UHFFFAOYSA-N -1 3 324.384 2.151 20 30 DEEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3c[nH]c(C#N)c3)nc21 ZINC001648542479 1075001434 /nfs/dbraw/zinc/00/14/34/1075001434.db2.gz OJTQVKCGMMXVPS-UHFFFAOYSA-N -1 3 323.312 2.192 20 30 DEEDHM CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncccc1[O-] ZINC001556164599 1075022087 /nfs/dbraw/zinc/02/20/87/1075022087.db2.gz KKUPNCZICWTRJG-LLVKDONJSA-N -1 3 319.361 2.032 20 30 DEEDHM N#Cc1ccc2nc(NC(=O)c3ccc(C#N)c([O-])c3)[nH]c2c1 ZINC001557763552 1075074500 /nfs/dbraw/zinc/07/45/00/1075074500.db2.gz RZQPSJHUIISGPO-UHFFFAOYSA-N -1 3 303.281 2.264 20 30 DEEDHM C[C@@H](OC(=O)c1cnccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001580312274 1075899423 /nfs/dbraw/zinc/89/94/23/1075899423.db2.gz ZWHNMZSLVXCYOV-SNVBAGLBSA-N -1 3 320.312 2.051 20 30 DEEDHM C[C@@H](OC(=O)c1cnccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001580312274 1075899430 /nfs/dbraw/zinc/89/94/30/1075899430.db2.gz ZWHNMZSLVXCYOV-SNVBAGLBSA-N -1 3 320.312 2.051 20 30 DEEDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)cc(C)c1C#N ZINC001580885183 1076014181 /nfs/dbraw/zinc/01/41/81/1076014181.db2.gz JADRWTHOULBTTR-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)cc(C)c1C#N ZINC001580885183 1076014185 /nfs/dbraw/zinc/01/41/85/1076014185.db2.gz JADRWTHOULBTTR-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(N(C)CCc2cccc(-c3nnn[n-]3)c2)ncc1C#N ZINC001580949660 1076024320 /nfs/dbraw/zinc/02/43/20/1076024320.db2.gz JRUBWYHSJWLHKO-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM Cc1cc(N(C)CCc2cccc(-c3nn[n-]n3)c2)ncc1C#N ZINC001580949660 1076024327 /nfs/dbraw/zinc/02/43/27/1076024327.db2.gz JRUBWYHSJWLHKO-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM N#Cc1sccc1C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001581885723 1076107791 /nfs/dbraw/zinc/10/77/91/1076107791.db2.gz KAEWBDHWXAJGTJ-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1sccc1C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001581885723 1076107792 /nfs/dbraw/zinc/10/77/92/1076107792.db2.gz KAEWBDHWXAJGTJ-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM C#CC[C@H](CCOC)Nc1cccc(Cl)c1-c1nnn[n-]1 ZINC001588330706 1076440923 /nfs/dbraw/zinc/44/09/23/1076440923.db2.gz CVOJZHLCSLSIGB-SNVBAGLBSA-N -1 3 305.769 2.360 20 30 DEEDHM C#CC[C@H](CCOC)Nc1cccc(Cl)c1-c1nn[n-]n1 ZINC001588330706 1076440927 /nfs/dbraw/zinc/44/09/27/1076440927.db2.gz CVOJZHLCSLSIGB-SNVBAGLBSA-N -1 3 305.769 2.360 20 30 DEEDHM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC001588330097 1076441030 /nfs/dbraw/zinc/44/10/30/1076441030.db2.gz UVVVMADVVSBCHB-HNNXBMFYSA-N -1 3 321.315 2.110 20 30 DEEDHM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC001588330097 1076441034 /nfs/dbraw/zinc/44/10/34/1076441034.db2.gz UVVVMADVVSBCHB-HNNXBMFYSA-N -1 3 321.315 2.110 20 30 DEEDHM C#CCC(C)(C)COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588330727 1076441274 /nfs/dbraw/zinc/44/12/74/1076441274.db2.gz DCKJTVAZDSFFLM-UHFFFAOYSA-N -1 3 312.373 2.392 20 30 DEEDHM C#CCC(C)(C)COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588330727 1076441278 /nfs/dbraw/zinc/44/12/78/1076441278.db2.gz DCKJTVAZDSFFLM-UHFFFAOYSA-N -1 3 312.373 2.392 20 30 DEEDHM C#CCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588336685 1076442227 /nfs/dbraw/zinc/44/22/27/1076442227.db2.gz SBPDQFJFEMJFMF-UHFFFAOYSA-N -1 3 309.373 2.161 20 30 DEEDHM C#CCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588336685 1076442230 /nfs/dbraw/zinc/44/22/30/1076442230.db2.gz SBPDQFJFEMJFMF-UHFFFAOYSA-N -1 3 309.373 2.161 20 30 DEEDHM C#CCCCCC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001588344495 1076442339 /nfs/dbraw/zinc/44/23/39/1076442339.db2.gz SNWFWGMTZJOLPP-UHFFFAOYSA-N -1 3 301.325 2.446 20 30 DEEDHM C#CCCCCC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001588344495 1076442342 /nfs/dbraw/zinc/44/23/42/1076442342.db2.gz SNWFWGMTZJOLPP-UHFFFAOYSA-N -1 3 301.325 2.446 20 30 DEEDHM C#CC[C@@H]1CCCN(C(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)C1 ZINC001588335688 1076442635 /nfs/dbraw/zinc/44/26/35/1076442635.db2.gz UYWGNEPROSQIGH-CYBMUJFWSA-N -1 3 324.388 2.442 20 30 DEEDHM C#CC[C@@H]1CCCN(C(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)C1 ZINC001588335688 1076442637 /nfs/dbraw/zinc/44/26/37/1076442637.db2.gz UYWGNEPROSQIGH-CYBMUJFWSA-N -1 3 324.388 2.442 20 30 DEEDHM C#C[C@H]1CC[C@H](NC(=O)c2c(C)cc(-c3nnn[n-]3)cc2C)CC1 ZINC001588364894 1076443531 /nfs/dbraw/zinc/44/35/31/1076443531.db2.gz LAIJSOMKPPMEMO-CTYIDZIISA-N -1 3 323.400 2.405 20 30 DEEDHM C#C[C@H]1CC[C@H](NC(=O)c2c(C)cc(-c3nn[n-]n3)cc2C)CC1 ZINC001588364894 1076443533 /nfs/dbraw/zinc/44/35/33/1076443533.db2.gz LAIJSOMKPPMEMO-CTYIDZIISA-N -1 3 323.400 2.405 20 30 DEEDHM C#Cc1cccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588375052 1076444744 /nfs/dbraw/zinc/44/47/44/1076444744.db2.gz CGBZTEIKEXZHAN-UHFFFAOYSA-N -1 3 317.352 2.419 20 30 DEEDHM C#Cc1cccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588375052 1076444746 /nfs/dbraw/zinc/44/47/46/1076444746.db2.gz CGBZTEIKEXZHAN-UHFFFAOYSA-N -1 3 317.352 2.419 20 30 DEEDHM C=C(C)C[C@@H](C)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588405569 1076446371 /nfs/dbraw/zinc/44/63/71/1076446371.db2.gz OPUBUEIFNHUTLI-LLVKDONJSA-N -1 3 314.345 2.195 20 30 DEEDHM C=C(C)C[C@@H](C)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588405569 1076446374 /nfs/dbraw/zinc/44/63/74/1076446374.db2.gz OPUBUEIFNHUTLI-LLVKDONJSA-N -1 3 314.345 2.195 20 30 DEEDHM C=C(C)COCCNc1c(-c2nnn[n-]2)cnc2ccc(C)cc21 ZINC001588429241 1076447313 /nfs/dbraw/zinc/44/73/13/1076447313.db2.gz RVCDIRNKNDKABB-UHFFFAOYSA-N -1 3 324.388 2.150 20 30 DEEDHM C=C(C)COCCNc1c(-c2nn[n-]n2)cnc2ccc(C)cc21 ZINC001588429241 1076447317 /nfs/dbraw/zinc/44/73/17/1076447317.db2.gz RVCDIRNKNDKABB-UHFFFAOYSA-N -1 3 324.388 2.150 20 30 DEEDHM C=C(Cl)CN1CCC(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588449460 1076449430 /nfs/dbraw/zinc/44/94/30/1076449430.db2.gz OYOWTGMQJYLZJU-UHFFFAOYSA-N -1 3 304.785 2.194 20 30 DEEDHM C=C(Cl)CN1CCC(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588449460 1076449432 /nfs/dbraw/zinc/44/94/32/1076449432.db2.gz OYOWTGMQJYLZJU-UHFFFAOYSA-N -1 3 304.785 2.194 20 30 DEEDHM CC#CCCNc1ccc(-c2nn[n-]n2)c(Br)c1 ZINC001588746323 1076462175 /nfs/dbraw/zinc/46/21/75/1076462175.db2.gz QBBQIAYGQVTWBU-UHFFFAOYSA-N -1 3 306.167 2.455 20 30 DEEDHM C=CC(C)(C)CCNc1nc2c(cc1-c1nnn[n-]1)COCC2 ZINC001588489144 1076450213 /nfs/dbraw/zinc/45/02/13/1076450213.db2.gz XECXXACVIQYCMV-UHFFFAOYSA-N -1 3 314.393 2.349 20 30 DEEDHM C=CC(C)(C)CCNc1nc2c(cc1-c1nn[n-]n1)COCC2 ZINC001588489144 1076450214 /nfs/dbraw/zinc/45/02/14/1076450214.db2.gz XECXXACVIQYCMV-UHFFFAOYSA-N -1 3 314.393 2.349 20 30 DEEDHM C=CC(C)(C)CNC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588488735 1076450503 /nfs/dbraw/zinc/45/05/03/1076450503.db2.gz OBBLGLMSRKSFJI-GFCCVEGCSA-N -1 3 313.405 2.374 20 30 DEEDHM C=CC(C)(C)CNC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588488735 1076450508 /nfs/dbraw/zinc/45/05/08/1076450508.db2.gz OBBLGLMSRKSFJI-GFCCVEGCSA-N -1 3 313.405 2.374 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588493879 1076450624 /nfs/dbraw/zinc/45/06/24/1076450624.db2.gz LVAGOQQNWGVMBY-PBHICJAKSA-N -1 3 311.389 2.052 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588493879 1076450627 /nfs/dbraw/zinc/45/06/27/1076450627.db2.gz LVAGOQQNWGVMBY-PBHICJAKSA-N -1 3 311.389 2.052 20 30 DEEDHM C=C[C@H]1CCCCN1Cc1cc(-c2nnn[n-]2)cnc1Cl ZINC001588527463 1076451636 /nfs/dbraw/zinc/45/16/36/1076451636.db2.gz KUBSIIZGEVNSAO-LBPRGKRZSA-N -1 3 304.785 2.456 20 30 DEEDHM C=C[C@H]1CCCCN1Cc1cc(-c2nn[n-]n2)cnc1Cl ZINC001588527463 1076451639 /nfs/dbraw/zinc/45/16/39/1076451639.db2.gz KUBSIIZGEVNSAO-LBPRGKRZSA-N -1 3 304.785 2.456 20 30 DEEDHM C=CCCCCCCNC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588593589 1076455934 /nfs/dbraw/zinc/45/59/34/1076455934.db2.gz DWPWIGQMJIIFRX-UHFFFAOYSA-N -1 3 314.393 2.436 20 30 DEEDHM C=CCCCCCCNC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588593589 1076455937 /nfs/dbraw/zinc/45/59/37/1076455937.db2.gz DWPWIGQMJIIFRX-UHFFFAOYSA-N -1 3 314.393 2.436 20 30 DEEDHM C=CCCCCNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588596071 1076456214 /nfs/dbraw/zinc/45/62/14/1076456214.db2.gz HMHDEENTVTVJGI-UHFFFAOYSA-N -1 3 318.356 2.161 20 30 DEEDHM C=CCCCCNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588596071 1076456215 /nfs/dbraw/zinc/45/62/15/1076456215.db2.gz HMHDEENTVTVJGI-UHFFFAOYSA-N -1 3 318.356 2.161 20 30 DEEDHM C=CCN(CC(F)(F)F)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588627964 1076458137 /nfs/dbraw/zinc/45/81/37/1076458137.db2.gz MONKLZNBGADBNL-UHFFFAOYSA-N -1 3 311.267 2.057 20 30 DEEDHM C=CCN(CC(F)(F)F)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588627964 1076458144 /nfs/dbraw/zinc/45/81/44/1076458144.db2.gz MONKLZNBGADBNL-UHFFFAOYSA-N -1 3 311.267 2.057 20 30 DEEDHM C=CCN(CCOC)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC001588632514 1076458309 /nfs/dbraw/zinc/45/83/09/1076458309.db2.gz TXACMPXIDYYMDQ-UHFFFAOYSA-N -1 3 310.361 2.054 20 30 DEEDHM C=CCN(CCOC)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC001588632514 1076458313 /nfs/dbraw/zinc/45/83/13/1076458313.db2.gz TXACMPXIDYYMDQ-UHFFFAOYSA-N -1 3 310.361 2.054 20 30 DEEDHM C=CCOCCNc1c(Br)cccc1-c1nnn[n-]1 ZINC001588682881 1076460815 /nfs/dbraw/zinc/46/08/15/1076460815.db2.gz LFJMQSCQNXNOPF-UHFFFAOYSA-N -1 3 324.182 2.244 20 30 DEEDHM C=CCOCCNc1c(Br)cccc1-c1nn[n-]n1 ZINC001588682881 1076460816 /nfs/dbraw/zinc/46/08/16/1076460816.db2.gz LFJMQSCQNXNOPF-UHFFFAOYSA-N -1 3 324.182 2.244 20 30 DEEDHM CC#CCCNc1ccc(-c2nnn[n-]2)c(Br)c1 ZINC001588746323 1076462174 /nfs/dbraw/zinc/46/21/74/1076462174.db2.gz QBBQIAYGQVTWBU-UHFFFAOYSA-N -1 3 306.167 2.455 20 30 DEEDHM CC(N=Nc1ncccc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588781278 1076465515 /nfs/dbraw/zinc/46/55/15/1076465515.db2.gz QRSLMCJWHYEEPJ-UHFFFAOYSA-N -1 3 315.287 2.376 20 30 DEEDHM CC(N=Nc1ncccc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588781278 1076465518 /nfs/dbraw/zinc/46/55/18/1076465518.db2.gz QRSLMCJWHYEEPJ-UHFFFAOYSA-N -1 3 315.287 2.376 20 30 DEEDHM CC(C)(C)[C@@H](C#N)OC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001589086264 1076474733 /nfs/dbraw/zinc/47/47/33/1076474733.db2.gz VJUCFMGTLSKNNG-CYBMUJFWSA-N -1 3 313.361 2.281 20 30 DEEDHM CC(C)(C)[C@@H](C#N)OC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001589086264 1076474735 /nfs/dbraw/zinc/47/47/35/1076474735.db2.gz VJUCFMGTLSKNNG-CYBMUJFWSA-N -1 3 313.361 2.281 20 30 DEEDHM CC(C)(CC#N)CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC001589267456 1076482826 /nfs/dbraw/zinc/48/28/26/1076482826.db2.gz YOZMQWQQHZZSML-UHFFFAOYSA-N -1 3 307.361 2.189 20 30 DEEDHM CC(C)(CC#N)CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC001589267456 1076482831 /nfs/dbraw/zinc/48/28/31/1076482831.db2.gz YOZMQWQQHZZSML-UHFFFAOYSA-N -1 3 307.361 2.189 20 30 DEEDHM CC1(C#N)CCN(C(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC001590054649 1076553818 /nfs/dbraw/zinc/55/38/18/1076553818.db2.gz MSLXWNWIPWMBCE-UHFFFAOYSA-N -1 3 317.378 2.086 20 30 DEEDHM CC1(C#N)CCN(C(=O)Nc2sccc2-c2nn[n-]n2)CC1 ZINC001590054649 1076553823 /nfs/dbraw/zinc/55/38/23/1076553823.db2.gz MSLXWNWIPWMBCE-UHFFFAOYSA-N -1 3 317.378 2.086 20 30 DEEDHM CCC(C#N)(CC)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001590367450 1076616218 /nfs/dbraw/zinc/61/62/18/1076616218.db2.gz SEGRRZSTAMEUQV-UHFFFAOYSA-N -1 3 302.313 2.274 20 30 DEEDHM CCC(C#N)(CC)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590367450 1076616221 /nfs/dbraw/zinc/61/62/21/1076616221.db2.gz SEGRRZSTAMEUQV-UHFFFAOYSA-N -1 3 302.313 2.274 20 30 DEEDHM CCNc1ccc(-c2nn[n-]n2)cc1NC(=O)CC(C)(C)C#N ZINC001590747490 1076673913 /nfs/dbraw/zinc/67/39/13/1076673913.db2.gz SWSFFBVYTLZTDL-UHFFFAOYSA-N -1 3 313.365 2.177 20 30 DEEDHM CCc1c(C)sc(NC(=O)[C@@H](C)CC#N)c1-c1nnn[n-]1 ZINC001590873621 1076687149 /nfs/dbraw/zinc/68/71/49/1076687149.db2.gz HXPIMKPYISDHCE-ZETCQYMHSA-N -1 3 304.379 2.287 20 30 DEEDHM CCc1c(C)sc(NC(=O)[C@@H](C)CC#N)c1-c1nn[n-]n1 ZINC001590873621 1076687151 /nfs/dbraw/zinc/68/71/51/1076687151.db2.gz HXPIMKPYISDHCE-ZETCQYMHSA-N -1 3 304.379 2.287 20 30 DEEDHM CN(CC(C)(C)C#N)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001591039032 1076704997 /nfs/dbraw/zinc/70/49/97/1076704997.db2.gz MOIOWIMPCILBOJ-UHFFFAOYSA-N -1 3 317.328 2.019 20 30 DEEDHM CN(CC(C)(C)C#N)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001591039032 1076704999 /nfs/dbraw/zinc/70/49/99/1076704999.db2.gz MOIOWIMPCILBOJ-UHFFFAOYSA-N -1 3 317.328 2.019 20 30 DEEDHM CN(Cc1ccc(-c2nnn[n-]2)s1)Cc1cc(C#N)cs1 ZINC001591131476 1076711249 /nfs/dbraw/zinc/71/12/49/1076711249.db2.gz YRWCTLQDDKRZGA-UHFFFAOYSA-N -1 3 316.415 2.493 20 30 DEEDHM CN(Cc1ccc(-c2nn[n-]n2)s1)Cc1cc(C#N)cs1 ZINC001591131476 1076711251 /nfs/dbraw/zinc/71/12/51/1076711251.db2.gz YRWCTLQDDKRZGA-UHFFFAOYSA-N -1 3 316.415 2.493 20 30 DEEDHM COC(=O)c1coc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC001591305746 1076719752 /nfs/dbraw/zinc/71/97/52/1076719752.db2.gz GDQKQUZNCAQUOK-AATRIKPKSA-N -1 3 324.296 2.142 20 30 DEEDHM COC(=O)c1coc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC001591305746 1076719757 /nfs/dbraw/zinc/71/97/57/1076719757.db2.gz GDQKQUZNCAQUOK-AATRIKPKSA-N -1 3 324.296 2.142 20 30 DEEDHM CO[C@@]1(C)C[C@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C1(C)C ZINC001591340150 1076727279 /nfs/dbraw/zinc/72/72/79/1076727279.db2.gz QZMUUXQJYVWCDW-LRDDRELGSA-N -1 3 312.377 2.354 20 30 DEEDHM CO[C@@]1(C)C[C@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C1(C)C ZINC001591340150 1076727281 /nfs/dbraw/zinc/72/72/81/1076727281.db2.gz QZMUUXQJYVWCDW-LRDDRELGSA-N -1 3 312.377 2.354 20 30 DEEDHM COc1cc(C#N)ccc1NCc1cccc(-c2nnn[n-]2)c1 ZINC001591509399 1076751964 /nfs/dbraw/zinc/75/19/64/1076751964.db2.gz VOIUJAUDLMXMPQ-UHFFFAOYSA-N -1 3 306.329 2.359 20 30 DEEDHM COc1cc(C#N)ccc1NCc1cccc(-c2nn[n-]n2)c1 ZINC001591509399 1076751966 /nfs/dbraw/zinc/75/19/66/1076751966.db2.gz VOIUJAUDLMXMPQ-UHFFFAOYSA-N -1 3 306.329 2.359 20 30 DEEDHM COc1cc(C=NNc2ccc(C#N)cc2)ccc1-c1nnn[n-]1 ZINC001591523612 1076754369 /nfs/dbraw/zinc/75/43/69/1076754369.db2.gz YLVVDSWXPLWOEB-UHFFFAOYSA-N -1 3 319.328 2.193 20 30 DEEDHM COc1cc(C=NNc2ccc(C#N)cc2)ccc1-c1nn[n-]n1 ZINC001591523612 1076754372 /nfs/dbraw/zinc/75/43/72/1076754372.db2.gz YLVVDSWXPLWOEB-UHFFFAOYSA-N -1 3 319.328 2.193 20 30 DEEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)cc1O ZINC001591582832 1076761049 /nfs/dbraw/zinc/76/10/49/1076761049.db2.gz PNJHSUGMUSYGJH-VURMDHGXSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)cc1O ZINC001591582832 1076761051 /nfs/dbraw/zinc/76/10/51/1076761051.db2.gz PNJHSUGMUSYGJH-VURMDHGXSA-N -1 3 322.324 2.477 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1C=NN[C@H]1CCCSC1 ZINC001591840732 1076791416 /nfs/dbraw/zinc/79/14/16/1076791416.db2.gz LDLUETTYZGYREP-ZDUSSCGKSA-N -1 3 316.434 2.303 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1C=NN[C@H]1CCCSC1 ZINC001591840732 1076791418 /nfs/dbraw/zinc/79/14/18/1076791418.db2.gz LDLUETTYZGYREP-ZDUSSCGKSA-N -1 3 316.434 2.303 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)nc1N(C)Cc1ccc(C#N)cc1 ZINC001592109895 1076848677 /nfs/dbraw/zinc/84/86/77/1076848677.db2.gz GZUWROMOOKTVRJ-UHFFFAOYSA-N -1 3 305.345 2.078 20 30 DEEDHM Cc1noc(C)c1CCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592457933 1076915300 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300.330 2.256 20 30 DEEDHM N#Cc1cc(NC(=O)c2cnc3ccc(Cl)nn32)ccc1[O-] ZINC001153213474 797301891 /nfs/dbraw/zinc/30/18/91/797301891.db2.gz BKHGCPBCNHWNHT-UHFFFAOYSA-N -1 3 313.704 2.212 20 30 DEEDHM Cc1cc(C(=O)N([O-])C(=N)c2ccccc2N)n(C(C)(C)C)n1 ZINC001192729233 797434651 /nfs/dbraw/zinc/43/46/51/797434651.db2.gz ZNZQZIBNYBEGBE-UHFFFAOYSA-N -1 3 315.377 2.386 20 30 DEEDHM COc1cc([N-]S(=O)(=O)CC#N)c(Br)cc1C ZINC001192978976 797484852 /nfs/dbraw/zinc/48/48/52/797484852.db2.gz RGJRODTYYJNVMG-UHFFFAOYSA-N -1 3 319.180 2.031 20 30 DEEDHM Cc1cc([N-]S(=O)(=O)CC#N)c(Br)cc1F ZINC001192978763 797485069 /nfs/dbraw/zinc/48/50/69/797485069.db2.gz FCBKSSIXHDWNMZ-UHFFFAOYSA-N -1 3 307.144 2.162 20 30 DEEDHM Cc1cc(O)cc([O-])c1C(=O)NCc1ccc(C#N)c(F)c1 ZINC001193945423 797659422 /nfs/dbraw/zinc/65/94/22/797659422.db2.gz DKPZEICDLSKZCO-UHFFFAOYSA-N -1 3 300.289 2.347 20 30 DEEDHM CC(C)(C)c1ncc(C(=O)N([O-])C(=N)c2ccccc2N)cn1 ZINC001194014541 797662667 /nfs/dbraw/zinc/66/26/67/797662667.db2.gz 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ZINC001580885352 1076014559 /nfs/dbraw/zinc/01/45/59/1076014559.db2.gz TUTFOQDYWOEGNH-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(C(=O)Nc2cc(-c3nn[n-]n3)ccn2)cc(C)c1C#N ZINC001580885352 1076014563 /nfs/dbraw/zinc/01/45/63/1076014563.db2.gz TUTFOQDYWOEGNH-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(N(C)CCc2cccc(C#N)c2)ncc1-c1nnn[n-]1 ZINC001580949645 1076024580 /nfs/dbraw/zinc/02/45/80/1076024580.db2.gz JBCGSRQCHVXVEC-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM Cc1cc(N(C)CCc2cccc(C#N)c2)ncc1-c1nn[n-]n1 ZINC001580949645 1076024586 /nfs/dbraw/zinc/02/45/86/1076024586.db2.gz JBCGSRQCHVXVEC-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM Cc1ccc(C(=O)NCc2ccc(C#N)s2)cc1-c1nnn[n-]1 ZINC001581171154 1076047330 /nfs/dbraw/zinc/04/73/30/1076047330.db2.gz VMQFEIWACHTIGY-UHFFFAOYSA-N -1 3 324.369 2.038 20 30 DEEDHM Cc1ccc(C(=O)NCc2ccc(C#N)s2)cc1-c1nn[n-]n1 ZINC001581171154 1076047334 /nfs/dbraw/zinc/04/73/34/1076047334.db2.gz VMQFEIWACHTIGY-UHFFFAOYSA-N -1 3 324.369 2.038 20 30 DEEDHM N#Cc1cccc2c1CN(c1cc(F)ccc1-c1nnn[n-]1)C2 ZINC001581875514 1076107510 /nfs/dbraw/zinc/10/75/10/1076107510.db2.gz BGUWHYDEXIUHLQ-UHFFFAOYSA-N -1 3 306.304 2.398 20 30 DEEDHM N#Cc1cccc2c1CN(c1cc(F)ccc1-c1nn[n-]n1)C2 ZINC001581875514 1076107513 /nfs/dbraw/zinc/10/75/13/1076107513.db2.gz BGUWHYDEXIUHLQ-UHFFFAOYSA-N -1 3 306.304 2.398 20 30 DEEDHM C#CC1CCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)CC1 ZINC001588331504 1076441352 /nfs/dbraw/zinc/44/13/52/1076441352.db2.gz TVUQCKVSOFASQA-UHFFFAOYSA-N -1 3 304.357 2.265 20 30 DEEDHM C#CC1CCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)CC1 ZINC001588331504 1076441356 /nfs/dbraw/zinc/44/13/56/1076441356.db2.gz TVUQCKVSOFASQA-UHFFFAOYSA-N -1 3 304.357 2.265 20 30 DEEDHM C#CC[C@H]1CCN(C(=O)Nc2scc(C)c2-c2nnn[n-]2)C1 ZINC001588337252 1076442408 /nfs/dbraw/zinc/44/24/08/1076442408.db2.gz LRSUTAYPYUPVDD-JTQLQIEISA-N -1 3 316.390 2.114 20 30 DEEDHM C#CC[C@H]1CCN(C(=O)Nc2scc(C)c2-c2nn[n-]n2)C1 ZINC001588337252 1076442412 /nfs/dbraw/zinc/44/24/12/1076442412.db2.gz LRSUTAYPYUPVDD-JTQLQIEISA-N -1 3 316.390 2.114 20 30 DEEDHM C#CCC1(C(=O)N(C)c2cc(-c3nnn[n-]3)ccn2)CCCCC1 ZINC001588334663 1076442606 /nfs/dbraw/zinc/44/26/06/1076442606.db2.gz FOKUDLWQMLEXOE-UHFFFAOYSA-N -1 3 324.388 2.198 20 30 DEEDHM C#CCC1(C(=O)N(C)c2cc(-c3nn[n-]n3)ccn2)CCCCC1 ZINC001588334663 1076442609 /nfs/dbraw/zinc/44/26/09/1076442609.db2.gz FOKUDLWQMLEXOE-UHFFFAOYSA-N -1 3 324.388 2.198 20 30 DEEDHM C#CCCCOc1cc(-c2nnn[n-]2)ccc1Br ZINC001588345787 1076443435 /nfs/dbraw/zinc/44/34/35/1076443435.db2.gz RFXGRWABPWJXHX-UHFFFAOYSA-N -1 3 307.151 2.421 20 30 DEEDHM C#CCCCOc1cc(-c2nn[n-]n2)ccc1Br ZINC001588345787 1076443438 /nfs/dbraw/zinc/44/34/38/1076443438.db2.gz RFXGRWABPWJXHX-UHFFFAOYSA-N -1 3 307.151 2.421 20 30 DEEDHM C#CCN(C(=O)c1csc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC001588348973 1076443685 /nfs/dbraw/zinc/44/36/85/1076443685.db2.gz WPTNIHOFAMLQSB-UHFFFAOYSA-N -1 3 315.402 2.336 20 30 DEEDHM C=C(C)CCC(=O)Nc1n[nH]c2cc(-c3nnn[n-]3)c(C)cc21 ZINC001588420020 1076447446 /nfs/dbraw/zinc/44/74/46/1076447446.db2.gz YRMCPVPPKGEYHT-UHFFFAOYSA-N -1 3 311.349 2.346 20 30 DEEDHM C=C(C)CCC(=O)Nc1n[nH]c2cc(-c3nn[n-]n3)c(C)cc21 ZINC001588420020 1076447448 /nfs/dbraw/zinc/44/74/48/1076447448.db2.gz YRMCPVPPKGEYHT-UHFFFAOYSA-N -1 3 311.349 2.346 20 30 DEEDHM C=C1CC(C)(c2noc(Cc3ccc(-c4nnn[n-]4)cc3)n2)C1 ZINC001588455804 1076449199 /nfs/dbraw/zinc/44/91/99/1076449199.db2.gz DEIFOILHSJPKDZ-UHFFFAOYSA-N -1 3 308.345 2.448 20 30 DEEDHM C=C1CC(C)(c2noc(Cc3ccc(-c4nn[n-]n4)cc3)n2)C1 ZINC001588455804 1076449201 /nfs/dbraw/zinc/44/92/01/1076449201.db2.gz DEIFOILHSJPKDZ-UHFFFAOYSA-N -1 3 308.345 2.448 20 30 DEEDHM C=CC(C)(C)CCCNC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588487841 1076450283 /nfs/dbraw/zinc/45/02/83/1076450283.db2.gz VORGHHGEKNPMNZ-UHFFFAOYSA-N -1 3 314.393 2.292 20 30 DEEDHM C=CC(C)(C)CCCNC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588487841 1076450285 /nfs/dbraw/zinc/45/02/85/1076450285.db2.gz VORGHHGEKNPMNZ-UHFFFAOYSA-N -1 3 314.393 2.292 20 30 DEEDHM C=C[C@](C)(CCOC)C(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588498506 1076450421 /nfs/dbraw/zinc/45/04/21/1076450421.db2.gz AXOKCMDMCRQFFW-OAHLLOKOSA-N -1 3 319.340 2.173 20 30 DEEDHM C=C[C@](C)(CCOC)C(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588498506 1076450424 /nfs/dbraw/zinc/45/04/24/1076450424.db2.gz AXOKCMDMCRQFFW-OAHLLOKOSA-N -1 3 319.340 2.173 20 30 DEEDHM C=CC(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC ZINC001588481309 1076450574 /nfs/dbraw/zinc/45/05/74/1076450574.db2.gz JNYHVNKJVUQMCD-UHFFFAOYSA-N -1 3 302.334 2.131 20 30 DEEDHM C=CC(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC ZINC001588481309 1076450578 /nfs/dbraw/zinc/45/05/78/1076450578.db2.gz JNYHVNKJVUQMCD-UHFFFAOYSA-N -1 3 302.334 2.131 20 30 DEEDHM C=CC(C)(C)COC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588488479 1076450612 /nfs/dbraw/zinc/45/06/12/1076450612.db2.gz IPRYJDJUCADQCS-UHFFFAOYSA-N -1 3 302.334 2.001 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N ZINC001588495379 1076450876 /nfs/dbraw/zinc/45/08/76/1076450876.db2.gz CVFXIGXCAIBBML-AWEZNQCLSA-N -1 3 304.329 2.129 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N ZINC001588495379 1076450877 /nfs/dbraw/zinc/45/08/77/1076450877.db2.gz CVFXIGXCAIBBML-AWEZNQCLSA-N -1 3 304.329 2.129 20 30 DEEDHM C=C[C@@H]1CCCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588527436 1076451449 /nfs/dbraw/zinc/45/14/49/1076451449.db2.gz KEWQCMXGJVURAK-OAHLLOKOSA-N -1 3 311.389 2.366 20 30 DEEDHM C=C[C@@H]1CCCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588527436 1076451453 /nfs/dbraw/zinc/45/14/53/1076451453.db2.gz KEWQCMXGJVURAK-OAHLLOKOSA-N -1 3 311.389 2.366 20 30 DEEDHM C=CC[C@@H](C)NC(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001588539618 1076453011 /nfs/dbraw/zinc/45/30/11/1076453011.db2.gz RPAPFXRHSBGXQJ-GFCCVEGCSA-N -1 3 314.393 2.015 20 30 DEEDHM C=CC[C@@H](C)NC(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001588539618 1076453013 /nfs/dbraw/zinc/45/30/13/1076453013.db2.gz RPAPFXRHSBGXQJ-GFCCVEGCSA-N -1 3 314.393 2.015 20 30 DEEDHM C=CCC1(CNC(=O)c2ccc(-c3nnn[n-]3)n2C)CCCC1 ZINC001588557770 1076453856 /nfs/dbraw/zinc/45/38/56/1076453856.db2.gz UOIZIHOQFDUJAS-UHFFFAOYSA-N -1 3 314.393 2.072 20 30 DEEDHM C=CCC1(CNC(=O)c2ccc(-c3nn[n-]n3)n2C)CCCC1 ZINC001588557770 1076453858 /nfs/dbraw/zinc/45/38/58/1076453858.db2.gz UOIZIHOQFDUJAS-UHFFFAOYSA-N -1 3 314.393 2.072 20 30 DEEDHM C=CCC(F)(F)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001588545751 1076453921 /nfs/dbraw/zinc/45/39/21/1076453921.db2.gz MZSIPZROOCGNBF-UHFFFAOYSA-N -1 3 323.303 2.415 20 30 DEEDHM C=CCC(F)(F)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001588545751 1076453922 /nfs/dbraw/zinc/45/39/22/1076453922.db2.gz MZSIPZROOCGNBF-UHFFFAOYSA-N -1 3 323.303 2.415 20 30 DEEDHM C=CC[C@@H]1CCN1C(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001588563927 1076455095 /nfs/dbraw/zinc/45/50/95/1076455095.db2.gz FJWGWDLMYQOKAP-SNVBAGLBSA-N -1 3 308.345 2.139 20 30 DEEDHM C=CCCN(C)C(=O)N[C@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588603406 1076457417 /nfs/dbraw/zinc/45/74/17/1076457417.db2.gz MWFGLMNDHGMQKY-AWEZNQCLSA-N -1 3 312.377 2.072 20 30 DEEDHM C=CCCN(C)C(=O)N[C@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588603406 1076457418 /nfs/dbraw/zinc/45/74/18/1076457418.db2.gz MWFGLMNDHGMQKY-AWEZNQCLSA-N -1 3 312.377 2.072 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)SC ZINC001588639046 1076460175 /nfs/dbraw/zinc/46/01/75/1076460175.db2.gz MXXBAKGNCXMGOY-LLVKDONJSA-N -1 3 317.418 2.133 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)SC ZINC001588639046 1076460182 /nfs/dbraw/zinc/46/01/82/1076460182.db2.gz MXXBAKGNCXMGOY-LLVKDONJSA-N -1 3 317.418 2.133 20 30 DEEDHM CC#CCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC001588746821 1076463048 /nfs/dbraw/zinc/46/30/48/1076463048.db2.gz XSMVRVDVDPYBLJ-UHFFFAOYSA-N -1 3 304.741 2.055 20 30 DEEDHM CC#CCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC001588746821 1076463050 /nfs/dbraw/zinc/46/30/50/1076463050.db2.gz XSMVRVDVDPYBLJ-UHFFFAOYSA-N -1 3 304.741 2.055 20 30 DEEDHM CC(=NN[C@H]1CCCSC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588776541 1076463938 /nfs/dbraw/zinc/46/39/38/1076463938.db2.gz RINREMVRNCWIGD-NSHDSACASA-N -1 3 320.397 2.215 20 30 DEEDHM CC(=NN[C@H]1CCCSC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588776541 1076463939 /nfs/dbraw/zinc/46/39/39/1076463939.db2.gz RINREMVRNCWIGD-NSHDSACASA-N -1 3 320.397 2.215 20 30 DEEDHM CC(N=Nc1ccc(Cl)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588780855 1076464705 /nfs/dbraw/zinc/46/47/05/1076464705.db2.gz QVPMBGNDPDDXIJ-UHFFFAOYSA-N -1 3 314.740 2.146 20 30 DEEDHM CC(N=Nc1ccc(Cl)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588780855 1076464707 /nfs/dbraw/zinc/46/47/07/1076464707.db2.gz QVPMBGNDPDDXIJ-UHFFFAOYSA-N -1 3 314.740 2.146 20 30 DEEDHM Cc1cc(N=NC(C)c2ccccc2-c2nnn[n-]2)nc(C)n1 ZINC001588777435 1076464794 /nfs/dbraw/zinc/46/47/94/1076464794.db2.gz WXRMPMSWBOHVJK-UHFFFAOYSA-N -1 3 308.349 2.110 20 30 DEEDHM Cc1cc(N=NC(C)c2ccccc2-c2nn[n-]n2)nc(C)n1 ZINC001588777435 1076464802 /nfs/dbraw/zinc/46/48/02/1076464802.db2.gz WXRMPMSWBOHVJK-UHFFFAOYSA-N -1 3 308.349 2.110 20 30 DEEDHM CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001589086109 1076474595 /nfs/dbraw/zinc/47/45/95/1076474595.db2.gz SSFWQHOHNGFQGI-BFHYXJOUSA-N -1 3 324.388 2.025 20 30 DEEDHM CC(C)(C)[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001589086109 1076474598 /nfs/dbraw/zinc/47/45/98/1076474598.db2.gz SSFWQHOHNGFQGI-BFHYXJOUSA-N -1 3 324.388 2.025 20 30 DEEDHM CC(C)n1ccc(CNc2c(C#N)cccc2-c2nnn[n-]2)n1 ZINC001589782709 1076514708 /nfs/dbraw/zinc/51/47/08/1076514708.db2.gz XQLGBSIXQHDPGD-UHFFFAOYSA-N -1 3 308.349 2.128 20 30 DEEDHM CC(C)n1ccc(CNc2c(C#N)cccc2-c2nn[n-]n2)n1 ZINC001589782709 1076514712 /nfs/dbraw/zinc/51/47/12/1076514712.db2.gz XQLGBSIXQHDPGD-UHFFFAOYSA-N -1 3 308.349 2.128 20 30 DEEDHM C[C@@H](CC#N)N(C)c1cc(Br)ccc1-c1nnn[n-]1 ZINC001589788355 1076516295 /nfs/dbraw/zinc/51/62/95/1076516295.db2.gz XEJTUHDYJYSIJE-QMMMGPOBSA-N -1 3 321.182 2.368 20 30 DEEDHM C[C@@H](CC#N)N(C)c1cc(Br)ccc1-c1nn[n-]n1 ZINC001589788355 1076516298 /nfs/dbraw/zinc/51/62/98/1076516298.db2.gz XEJTUHDYJYSIJE-QMMMGPOBSA-N -1 3 321.182 2.368 20 30 DEEDHM CC[C@](C)(C#N)C(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001590371614 1076616857 /nfs/dbraw/zinc/61/68/57/1076616857.db2.gz GBYJBUMSUVHUCI-BDJLRTHQSA-N -1 3 312.377 2.326 20 30 DEEDHM CC[C@](C)(C#N)C(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001590371614 1076616859 /nfs/dbraw/zinc/61/68/59/1076616859.db2.gz GBYJBUMSUVHUCI-BDJLRTHQSA-N -1 3 312.377 2.326 20 30 DEEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@H](C#N)CC ZINC001590640853 1076663975 /nfs/dbraw/zinc/66/39/75/1076663975.db2.gz XPGRGDHIWYTUKL-JTQLQIEISA-N -1 3 313.365 2.177 20 30 DEEDHM CO[C@@]1(C)C[C@@H](Nc2c(C#N)cccc2-c2nnn[n-]2)C1(C)C ZINC001591340152 1076727321 /nfs/dbraw/zinc/72/73/21/1076727321.db2.gz QZMUUXQJYVWCDW-WBMJQRKESA-N -1 3 312.377 2.354 20 30 DEEDHM CO[C@@]1(C)C[C@@H](Nc2c(C#N)cccc2-c2nn[n-]n2)C1(C)C ZINC001591340152 1076727323 /nfs/dbraw/zinc/72/73/23/1076727323.db2.gz QZMUUXQJYVWCDW-WBMJQRKESA-N -1 3 312.377 2.354 20 30 DEEDHM Cc1cc(F)c(-c2nnn[n-]2)c(N2CCC[C@@H](CC#N)C2)c1 ZINC001591980592 1076823636 /nfs/dbraw/zinc/82/36/36/1076823636.db2.gz SPZXRTKPLGUYNE-NSHDSACASA-N -1 3 300.341 2.444 20 30 DEEDHM Cc1cc(F)c(-c2nn[n-]n2)c(N2CCC[C@@H](CC#N)C2)c1 ZINC001591980592 1076823640 /nfs/dbraw/zinc/82/36/40/1076823640.db2.gz SPZXRTKPLGUYNE-NSHDSACASA-N -1 3 300.341 2.444 20 30 DEEDHM Cc1cc(OC(=O)Cc2ccc(-c3nnn[n-]3)cc2)ccc1C#N ZINC001592056984 1076840544 /nfs/dbraw/zinc/84/05/44/1076840544.db2.gz XNFXFVBGJGTDEQ-UHFFFAOYSA-N -1 3 319.324 2.195 20 30 DEEDHM Cc1cc(OC(=O)Cc2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001592056984 1076840547 /nfs/dbraw/zinc/84/05/47/1076840547.db2.gz XNFXFVBGJGTDEQ-UHFFFAOYSA-N -1 3 319.324 2.195 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)Nc1ccccc1C#N ZINC001592100159 1076847890 /nfs/dbraw/zinc/84/78/90/1076847890.db2.gz MKJJZMHIVLQXQX-UHFFFAOYSA-N -1 3 304.313 2.299 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1ccccc1C#N ZINC001592100159 1076847896 /nfs/dbraw/zinc/84/78/96/1076847896.db2.gz MKJJZMHIVLQXQX-UHFFFAOYSA-N -1 3 304.313 2.299 20 30 DEEDHM FC1(F)CC[C@H](C=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592630531 1076935698 /nfs/dbraw/zinc/93/56/98/1076935698.db2.gz NQRZCFOPLQTJFW-NSHDSACASA-N -1 3 306.320 2.378 20 30 DEEDHM FC1(F)CC[C@H](C=NNCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592630531 1076935700 /nfs/dbraw/zinc/93/57/00/1076935700.db2.gz NQRZCFOPLQTJFW-NSHDSACASA-N -1 3 306.320 2.378 20 30 DEEDHM N#CC1(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)CCCC1 ZINC001592667431 1076949601 /nfs/dbraw/zinc/94/96/01/1076949601.db2.gz VRXVKBDXQBASQC-UHFFFAOYSA-N -1 3 300.297 2.028 20 30 DEEDHM N#CC1(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)CCCC1 ZINC001592667431 1076949603 /nfs/dbraw/zinc/94/96/03/1076949603.db2.gz VRXVKBDXQBASQC-UHFFFAOYSA-N -1 3 300.297 2.028 20 30 DEEDHM N#C[C@@H]1CCCN(Cc2ccc(-c3nnn[n-]3)cc2Cl)C1 ZINC001592672673 1076950253 /nfs/dbraw/zinc/95/02/53/1076950253.db2.gz MGFXVDWHARPCAZ-JTQLQIEISA-N -1 3 302.769 2.256 20 30 DEEDHM N#C[C@@H]1CCCN(Cc2ccc(-c3nn[n-]n3)cc2Cl)C1 ZINC001592672673 1076950258 /nfs/dbraw/zinc/95/02/58/1076950258.db2.gz 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/nfs/dbraw/zinc/95/43/05/1076954305.db2.gz SMDZCFVTQIDBTC-CYBMUJFWSA-N -1 3 317.356 2.127 20 30 DEEDHM N#Cc1ccc(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001592696054 1076954374 /nfs/dbraw/zinc/95/43/74/1076954374.db2.gz ARLJOSIHXSAWKL-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM N#Cc1ccc(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001592696054 1076954379 /nfs/dbraw/zinc/95/43/79/1076954379.db2.gz ARLJOSIHXSAWKL-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(-c2nnn[n-]2)cnn1 ZINC001592697705 1076954884 /nfs/dbraw/zinc/95/48/84/1076954884.db2.gz NZVGFUFKJDYLST-CQSZACIVSA-N -1 3 318.344 2.018 20 30 DEEDHM N#Cc1ccc2c(c1)CCC[C@H]2Nc1cc(-c2nn[n-]n2)cnn1 ZINC001592697705 1076954887 /nfs/dbraw/zinc/95/48/87/1076954887.db2.gz NZVGFUFKJDYLST-CQSZACIVSA-N -1 3 318.344 2.018 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1Cc2ccccc21 ZINC001592699618 1076955661 /nfs/dbraw/zinc/95/56/61/1076955661.db2.gz FAJUMWPXRSSGES-CYBMUJFWSA-N -1 3 302.341 2.490 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1Cc2ccccc21 ZINC001592699618 1076955664 /nfs/dbraw/zinc/95/56/64/1076955664.db2.gz FAJUMWPXRSSGES-CYBMUJFWSA-N -1 3 302.341 2.490 20 30 DEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2c(c1)OCO2 ZINC001592791469 1076959794 /nfs/dbraw/zinc/95/97/94/1076959794.db2.gz JXBFQCXGEWYVJU-XVNBXDOJSA-N -1 3 320.308 2.492 20 30 DEEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCO2 ZINC001592791469 1076959800 /nfs/dbraw/zinc/95/98/00/1076959800.db2.gz JXBFQCXGEWYVJU-XVNBXDOJSA-N -1 3 320.308 2.492 20 30 DEEDHM O=C1c2cc(-c3nnn[n-]3)ccc2CC1=Cc1ccc(O)cc1 ZINC001593380530 1077002447 /nfs/dbraw/zinc/00/24/47/1077002447.db2.gz SZNFJXCRGVEYBO-NTUHNPAUSA-N -1 3 304.309 2.395 20 30 DEEDHM O=C1c2cc(-c3nn[n-]n3)ccc2CC1=Cc1ccc(O)cc1 ZINC001593380530 1077002452 /nfs/dbraw/zinc/00/24/52/1077002452.db2.gz SZNFJXCRGVEYBO-NTUHNPAUSA-N -1 3 304.309 2.395 20 30 DEEDHM C#CCCCCc1nnc(COc2ccccc2-c2nnn[n-]2)o1 ZINC001609020435 1077742556 /nfs/dbraw/zinc/74/25/56/1077742556.db2.gz DTHHEUCPODOJML-UHFFFAOYSA-N -1 3 324.344 2.175 20 30 DEEDHM C#CCCCCc1nnc(COc2ccccc2-c2nn[n-]n2)o1 ZINC001609020435 1077742559 /nfs/dbraw/zinc/74/25/59/1077742559.db2.gz DTHHEUCPODOJML-UHFFFAOYSA-N -1 3 324.344 2.175 20 30 DEEDHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001609090459 1077757250 /nfs/dbraw/zinc/75/72/50/1077757250.db2.gz UVAHSNBIKYHYAL-BBRMVZONSA-N -1 3 310.361 2.359 20 30 DEEDHM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001609090459 1077757252 /nfs/dbraw/zinc/75/72/52/1077757252.db2.gz UVAHSNBIKYHYAL-BBRMVZONSA-N -1 3 310.361 2.359 20 30 DEEDHM CO[C@@](C)(CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C1CC1 ZINC001609307472 1077827904 /nfs/dbraw/zinc/82/79/04/1077827904.db2.gz BNGFWGCVMIPTKW-ZDUSSCGKSA-N -1 3 321.772 2.128 20 30 DEEDHM CO[C@@](C)(CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C1CC1 ZINC001609307472 1077827907 /nfs/dbraw/zinc/82/79/07/1077827907.db2.gz BNGFWGCVMIPTKW-ZDUSSCGKSA-N -1 3 321.772 2.128 20 30 DEEDHM CSc1ccccc1Cn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001609372941 1077844034 /nfs/dbraw/zinc/84/40/34/1077844034.db2.gz FHEKOGGOKDLHKD-UHFFFAOYSA-N -1 3 311.374 2.014 20 30 DEEDHM CSc1ccccc1Cn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001609372941 1077844038 /nfs/dbraw/zinc/84/40/38/1077844038.db2.gz FHEKOGGOKDLHKD-UHFFFAOYSA-N -1 3 311.374 2.014 20 30 DEEDHM Cc1cc(CN=Nc2ccc(Cl)nn2)ccc1-c1nnn[n-]1 ZINC001609399884 1077850554 /nfs/dbraw/zinc/85/05/54/1077850554.db2.gz RZBLFBPBKDBDFR-UHFFFAOYSA-N -1 3 314.740 2.065 20 30 DEEDHM Cc1cc(CN=Nc2ccc(Cl)nn2)ccc1-c1nn[n-]n1 ZINC001609399884 1077850558 /nfs/dbraw/zinc/85/05/58/1077850558.db2.gz RZBLFBPBKDBDFR-UHFFFAOYSA-N -1 3 314.740 2.065 20 30 DEEDHM N#Cc1ccc(COC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC001609498265 1077871407 /nfs/dbraw/zinc/87/14/07/1077871407.db2.gz CHVJIAOOTDUDDJ-UHFFFAOYSA-N -1 3 323.287 2.234 20 30 DEEDHM N#Cc1ccc(COC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC001609498265 1077871408 /nfs/dbraw/zinc/87/14/08/1077871408.db2.gz CHVJIAOOTDUDDJ-UHFFFAOYSA-N -1 3 323.287 2.234 20 30 DEEDHM N#Cc1cccc(C#N)c1NCc1ccc(-c2nnn[n-]2)cc1 ZINC001609500002 1077871535 /nfs/dbraw/zinc/87/15/35/1077871535.db2.gz UFXIWHZGRHSSOI-UHFFFAOYSA-N -1 3 301.313 2.222 20 30 DEEDHM N#Cc1cccc(C#N)c1NCc1ccc(-c2nn[n-]n2)cc1 ZINC001609500002 1077871536 /nfs/dbraw/zinc/87/15/36/1077871536.db2.gz UFXIWHZGRHSSOI-UHFFFAOYSA-N -1 3 301.313 2.222 20 30 DEEDHM N#Cc1cccc([N+](=O)[O-])c1N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001652188944 1079857141 /nfs/dbraw/zinc/85/71/41/1079857141.db2.gz MQAVMUOQZYPYFN-UHFFFAOYSA-N -1 3 323.312 2.360 20 30 DEEDHM N#CCCN(CCN1CCOCC1)Cc1ccc(Cl)cc1[O-] ZINC001658808091 1080218410 /nfs/dbraw/zinc/21/84/10/1080218410.db2.gz KJSMXQQKFMDLIB-UHFFFAOYSA-N -1 3 323.824 2.093 20 30 DEEDHM Cc1nc(NC/C=C\CNC(=O)c2ccccc2[O-])ccc1C#N ZINC001107046728 1080558647 /nfs/dbraw/zinc/55/86/47/1080558647.db2.gz FMNRHEUNAPFRCR-PLNGDYQASA-N -1 3 322.368 2.365 20 30 DEEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CC(Cl)(Cl)C2)s1 ZINC001666427453 1081151316 /nfs/dbraw/zinc/15/13/16/1081151316.db2.gz SYFFEYWWRMDZAP-UHFFFAOYSA-N -1 3 311.215 2.234 20 30 DEEDHM C=CCN1C[C@]2(CC1=O)CCCCN2C(=O)c1ccc([O-])cc1 ZINC001269479781 1081260639 /nfs/dbraw/zinc/26/06/39/1081260639.db2.gz MTLVJUHZBQGHEJ-GOSISDBHSA-N -1 3 314.385 2.175 20 30 DEEDHM C=CCN1CC[C@]2(CCCN2C(=O)c2ccc(C)cc2[O-])C1=O ZINC001269951125 1081408699 /nfs/dbraw/zinc/40/86/99/1081408699.db2.gz JHIMAALQZVAIIQ-GOSISDBHSA-N -1 3 314.385 2.094 20 30 DEEDHM C=CCCc1ccccc1NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC001138861909 1083374802 /nfs/dbraw/zinc/37/48/02/1083374802.db2.gz PWGNOKHIEVIWMG-UHFFFAOYSA-N -1 3 315.329 2.267 20 30 DEEDHM N#Cc1cccnc1NC[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001060810686 1083882378 /nfs/dbraw/zinc/88/23/78/1083882378.db2.gz DUHKJEPSCUFZEU-CYBMUJFWSA-N -1 3 322.368 2.233 20 30 DEEDHM C[C@H](NC(=O)c1sccc1C#N)c1nc(C(F)(F)F)n[n-]1 ZINC001413719536 1083900696 /nfs/dbraw/zinc/90/06/96/1083900696.db2.gz ZFKJBJDRIJHYMT-YFKPBYRVSA-N -1 3 315.280 2.248 20 30 DEEDHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCN(c2ccc(C#N)nc2)C1 ZINC001062884622 1087295487 /nfs/dbraw/zinc/29/54/87/1087295487.db2.gz YHQXZNFYHAYMAA-OAHLLOKOSA-N -1 3 322.368 2.010 20 30 DEEDHM N#Cc1cccc(-c2noc(-c3cc([N+](=O)[O-])c[n-]c3=O)n2)c1 ZINC001212937194 1087891951 /nfs/dbraw/zinc/89/19/51/1087891951.db2.gz SGHQXRZHHPAXBT-UHFFFAOYSA-N -1 3 309.241 2.284 20 30 DEEDHM C=CCCC(=O)N(CC)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001079468120 1088089092 /nfs/dbraw/zinc/08/90/92/1088089092.db2.gz KNUPOZXFKIQAIM-UHFFFAOYSA-N -1 3 302.374 2.031 20 30 DEEDHM N#CCCN(Cc1ccccn1)C(=O)Cc1ccc([O-])c(F)c1 ZINC001411765430 1092086315 /nfs/dbraw/zinc/08/63/15/1092086315.db2.gz WEERHFRDCSIDJQ-UHFFFAOYSA-N -1 3 313.332 2.411 20 30 DEEDHM C=CCCCC(=O)N[C@@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001488115556 1092317281 /nfs/dbraw/zinc/31/72/81/1092317281.db2.gz DTBJFINDAJHKNN-DZGCQCFKSA-N -1 3 316.401 2.468 20 30 DEEDHM COc1ccc(C#N)cc1-c1cc(-c2nnn[n-]2)ccc1OC ZINC001236546777 1138373469 /nfs/dbraw/zinc/37/34/69/1138373469.db2.gz LQMATYFUJSPZAV-UHFFFAOYSA-N -1 3 307.313 2.423 20 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DEEDHM C#CC1CCN(C(=O)Nc2cc(C)cc(-c3nnn[n-]3)c2)CC1 ZINC001588330457 1076440624 /nfs/dbraw/zinc/44/06/24/1076440624.db2.gz CZKOZBBBBNFXHY-UHFFFAOYSA-N -1 3 310.361 2.052 20 30 DEEDHM C#CC1CCN(C(=O)Nc2cc(C)cc(-c3nn[n-]n3)c2)CC1 ZINC001588330457 1076440625 /nfs/dbraw/zinc/44/06/25/1076440625.db2.gz CZKOZBBBBNFXHY-UHFFFAOYSA-N -1 3 310.361 2.052 20 30 DEEDHM C#C[C@@H](NC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001588329919 1076440632 /nfs/dbraw/zinc/44/06/32/1076440632.db2.gz QSWMCTYMFSDHDC-CYBMUJFWSA-N -1 3 312.377 2.345 20 30 DEEDHM C#C[C@@H](NC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001588329919 1076440634 /nfs/dbraw/zinc/44/06/34/1076440634.db2.gz QSWMCTYMFSDHDC-CYBMUJFWSA-N -1 3 312.377 2.345 20 30 DEEDHM C#C[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588332984 1076440887 /nfs/dbraw/zinc/44/08/87/1076440887.db2.gz XITRFYFMPKIJMS-DOMZBBRYSA-N -1 3 324.388 2.125 20 30 DEEDHM C#C[C@H]1CCCCN1C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588332984 1076440890 /nfs/dbraw/zinc/44/08/90/1076440890.db2.gz XITRFYFMPKIJMS-DOMZBBRYSA-N -1 3 324.388 2.125 20 30 DEEDHM C#CC[C@H](CCOC)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC001588331344 1076441079 /nfs/dbraw/zinc/44/10/79/1076441079.db2.gz NVCSZOFPVZHPNU-LLVKDONJSA-N -1 3 305.769 2.360 20 30 DEEDHM C#CC[C@H](CCOC)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC001588331344 1076441082 /nfs/dbraw/zinc/44/10/82/1076441082.db2.gz NVCSZOFPVZHPNU-LLVKDONJSA-N -1 3 305.769 2.360 20 30 DEEDHM C#CCC1(NC(=O)Nc2cc(-c3nnn[n-]3)ccc2F)CCC1 ZINC001588335048 1076442658 /nfs/dbraw/zinc/44/26/58/1076442658.db2.gz VWTWBOARYOMNDO-UHFFFAOYSA-N -1 3 314.324 2.073 20 30 DEEDHM C#CCC1(NC(=O)Nc2cc(-c3nn[n-]n3)ccc2F)CCC1 ZINC001588335048 1076442659 /nfs/dbraw/zinc/44/26/59/1076442659.db2.gz VWTWBOARYOMNDO-UHFFFAOYSA-N -1 3 314.324 2.073 20 30 DEEDHM C#CCN(c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1)C1CCCC1 ZINC001588352320 1076443752 /nfs/dbraw/zinc/44/37/52/1076443752.db2.gz YOCMAXKIRQMQDC-UHFFFAOYSA-N -1 3 312.333 2.157 20 30 DEEDHM C#Cc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC001588373434 1076444424 /nfs/dbraw/zinc/44/44/24/1076444424.db2.gz JSCPTLPYCBQKRO-NSHDSACASA-N -1 3 319.324 2.161 20 30 DEEDHM C#Cc1ccc(C(=O)O[C@@H](C)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC001588373434 1076444425 /nfs/dbraw/zinc/44/44/25/1076444425.db2.gz JSCPTLPYCBQKRO-NSHDSACASA-N -1 3 319.324 2.161 20 30 DEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001588401297 1076446388 /nfs/dbraw/zinc/44/63/88/1076446388.db2.gz PBIWJJXOKYGOMI-OCCSQVGLSA-N -1 3 314.393 2.272 20 30 DEEDHM C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001588401297 1076446390 /nfs/dbraw/zinc/44/63/90/1076446390.db2.gz PBIWJJXOKYGOMI-OCCSQVGLSA-N -1 3 314.393 2.272 20 30 DEEDHM C=C(C)CCNC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588425175 1076447100 /nfs/dbraw/zinc/44/71/00/1076447100.db2.gz XRIWQZAPIHGOFC-UHFFFAOYSA-N -1 3 312.377 2.121 20 30 DEEDHM C=C(C)CCNC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588425175 1076447105 /nfs/dbraw/zinc/44/71/05/1076447105.db2.gz XRIWQZAPIHGOFC-UHFFFAOYSA-N -1 3 312.377 2.121 20 30 DEEDHM C=CC(C)(C)CNC(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588489289 1076450845 /nfs/dbraw/zinc/45/08/45/1076450845.db2.gz ZWUKEKPFWSNUOA-UHFFFAOYSA-N -1 3 314.393 2.220 20 30 DEEDHM C=CC(C)(C)CNC(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588489289 1076450848 /nfs/dbraw/zinc/45/08/48/1076450848.db2.gz ZWUKEKPFWSNUOA-UHFFFAOYSA-N -1 3 314.393 2.220 20 30 DEEDHM C=C[C@H](CC)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588525028 1076451213 /nfs/dbraw/zinc/45/12/13/1076451213.db2.gz VFTBXJUXYCVTOA-SNVBAGLBSA-N -1 3 303.341 2.224 20 30 DEEDHM C=C[C@H](CC)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588525028 1076451215 /nfs/dbraw/zinc/45/12/15/1076451215.db2.gz VFTBXJUXYCVTOA-SNVBAGLBSA-N -1 3 303.341 2.224 20 30 DEEDHM C=C[C@@H](OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588525978 1076451950 /nfs/dbraw/zinc/45/19/50/1076451950.db2.gz OSNDEBJEMBJFSZ-GFCCVEGCSA-N -1 3 301.350 2.328 20 30 DEEDHM C=C[C@@H](OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588525978 1076451955 /nfs/dbraw/zinc/45/19/55/1076451955.db2.gz OSNDEBJEMBJFSZ-GFCCVEGCSA-N -1 3 301.350 2.328 20 30 DEEDHM C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001588541972 1076452643 /nfs/dbraw/zinc/45/26/43/1076452643.db2.gz VJAZOVZHHHCQPR-QLFBSQMISA-N -1 3 311.389 2.441 20 30 DEEDHM C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001588541972 1076452646 /nfs/dbraw/zinc/45/26/46/1076452646.db2.gz VJAZOVZHHHCQPR-QLFBSQMISA-N -1 3 311.389 2.441 20 30 DEEDHM C=CC[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588539741 1076452723 /nfs/dbraw/zinc/45/27/23/1076452723.db2.gz XPGBYIOEHNRBEY-MNOVXSKESA-N -1 3 302.334 2.142 20 30 DEEDHM C=CC[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588539741 1076452726 /nfs/dbraw/zinc/45/27/26/1076452726.db2.gz XPGBYIOEHNRBEY-MNOVXSKESA-N -1 3 302.334 2.142 20 30 DEEDHM C=CCC(CC=C)C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588544853 1076453538 /nfs/dbraw/zinc/45/35/38/1076453538.db2.gz XUOMNSLRHJZUJX-UHFFFAOYSA-N -1 3 309.373 2.477 20 30 DEEDHM C=CCC(CC=C)C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588544853 1076453544 /nfs/dbraw/zinc/45/35/44/1076453544.db2.gz XUOMNSLRHJZUJX-UHFFFAOYSA-N -1 3 309.373 2.477 20 30 DEEDHM C=CCC1(C(=O)NCc2ccc(-c3nnn[n-]3)cn2)CCCC1 ZINC001588556757 1076454300 /nfs/dbraw/zinc/45/43/00/1076454300.db2.gz RRAHQXQAXCRFTH-UHFFFAOYSA-N -1 3 312.377 2.014 20 30 DEEDHM C=CCC1(C(=O)NCc2ccc(-c3nn[n-]n3)cn2)CCCC1 ZINC001588556757 1076454307 /nfs/dbraw/zinc/45/43/07/1076454307.db2.gz RRAHQXQAXCRFTH-UHFFFAOYSA-N -1 3 312.377 2.014 20 30 DEEDHM C=CC[C@H]1CCCN(C(=O)c2csc(-c3nnn[n-]3)c2)C1 ZINC001588560287 1076455453 /nfs/dbraw/zinc/45/54/53/1076455453.db2.gz OZKAZPZVINTPMA-JTQLQIEISA-N -1 3 303.391 2.357 20 30 DEEDHM C=CCCCCCCCNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC001588594616 1076455858 /nfs/dbraw/zinc/45/58/58/1076455858.db2.gz YGGOKKRSIPTRJV-UHFFFAOYSA-N -1 3 316.409 2.462 20 30 DEEDHM C=CCCCCCCCNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC001588594616 1076455862 /nfs/dbraw/zinc/45/58/62/1076455862.db2.gz YGGOKKRSIPTRJV-UHFFFAOYSA-N -1 3 316.409 2.462 20 30 DEEDHM C=CCCCNC(=O)NC(C)(C)c1cccc(-c2nnn[n-]2)c1 ZINC001588600542 1076457174 /nfs/dbraw/zinc/45/71/74/1076457174.db2.gz FWDRCRDMNWBZMZ-UHFFFAOYSA-N -1 3 314.393 2.367 20 30 DEEDHM C=CCCCNC(=O)NC(C)(C)c1cccc(-c2nn[n-]n2)c1 ZINC001588600542 1076457177 /nfs/dbraw/zinc/45/71/77/1076457177.db2.gz FWDRCRDMNWBZMZ-UHFFFAOYSA-N -1 3 314.393 2.367 20 30 DEEDHM C=CCCCNC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588601226 1076457187 /nfs/dbraw/zinc/45/71/87/1076457187.db2.gz ZPSRMUUQFJUSMY-UHFFFAOYSA-N -1 3 315.377 2.107 20 30 DEEDHM C=CCCCNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588601226 1076457190 /nfs/dbraw/zinc/45/71/90/1076457190.db2.gz ZPSRMUUQFJUSMY-UHFFFAOYSA-N -1 3 315.377 2.107 20 30 DEEDHM C=CCCN(C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588603494 1076457236 /nfs/dbraw/zinc/45/72/36/1076457236.db2.gz PCAVNVJIICCSKK-NSHDSACASA-N -1 3 300.366 2.145 20 30 DEEDHM C=CCCN(C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588603494 1076457240 /nfs/dbraw/zinc/45/72/40/1076457240.db2.gz PCAVNVJIICCSKK-NSHDSACASA-N -1 3 300.366 2.145 20 30 DEEDHM C=CCN(C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCC ZINC001588626728 1076458010 /nfs/dbraw/zinc/45/80/10/1076458010.db2.gz QSPHVYHPJKCPLS-UHFFFAOYSA-N -1 3 324.392 2.157 20 30 DEEDHM C=CCN(C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCC ZINC001588626728 1076458014 /nfs/dbraw/zinc/45/80/14/1076458014.db2.gz QSPHVYHPJKCPLS-UHFFFAOYSA-N -1 3 324.392 2.157 20 30 DEEDHM CC#CCCCC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC001588746385 1076462973 /nfs/dbraw/zinc/46/29/73/1076462973.db2.gz QRJTWLJKLUAPKR-UHFFFAOYSA-N -1 3 302.309 2.243 20 30 DEEDHM CC#CCCCC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC001588746385 1076462977 /nfs/dbraw/zinc/46/29/77/1076462977.db2.gz QRJTWLJKLUAPKR-UHFFFAOYSA-N -1 3 302.309 2.243 20 30 DEEDHM CC(=NOC1CCOCC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001588782358 1076465558 /nfs/dbraw/zinc/46/55/58/1076465558.db2.gz TWKOGALNSBKJAY-UHFFFAOYSA-N -1 3 321.768 2.440 20 30 DEEDHM CC(=NOC1CCOCC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001588782358 1076465560 /nfs/dbraw/zinc/46/55/60/1076465560.db2.gz TWKOGALNSBKJAY-UHFFFAOYSA-N -1 3 321.768 2.440 20 30 DEEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)cc1)c1cc(N)ccc1F ZINC001588780690 1076465576 /nfs/dbraw/zinc/46/55/76/1076465576.db2.gz JTHWLNFGQVRFLW-UHFFFAOYSA-N -1 3 311.324 2.424 20 30 DEEDHM CC(C)C[C@](C)(C#N)NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589542296 1076497697 /nfs/dbraw/zinc/49/76/97/1076497697.db2.gz WVUMCFUUPKGHLD-OAHLLOKOSA-N -1 3 316.340 2.064 20 30 DEEDHM CC(C)C[C@](C)(C#N)NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589542296 1076497698 /nfs/dbraw/zinc/49/76/98/1076497698.db2.gz WVUMCFUUPKGHLD-OAHLLOKOSA-N -1 3 316.340 2.064 20 30 DEEDHM C[C@@H](ON=C(N)c1cccs1)c1cccc(-c2nnn[n-]2)c1 ZINC001590018939 1076547459 /nfs/dbraw/zinc/54/74/59/1076547459.db2.gz BFKDPXCAJGSEBX-SECBINFHSA-N -1 3 314.374 2.326 20 30 DEEDHM C[C@@H](ON=C(N)c1cccs1)c1cccc(-c2nn[n-]n2)c1 ZINC001590018939 1076547465 /nfs/dbraw/zinc/54/74/65/1076547465.db2.gz BFKDPXCAJGSEBX-SECBINFHSA-N -1 3 314.374 2.326 20 30 DEEDHM C[C@H](ON=C(N)c1cccs1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590020248 1076547664 /nfs/dbraw/zinc/54/76/64/1076547664.db2.gz KOMPNJQLDGIQSC-VIFPVBQESA-N -1 3 314.374 2.326 20 30 DEEDHM C[C@H](ON=C(N)c1cccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590020248 1076547671 /nfs/dbraw/zinc/54/76/71/1076547671.db2.gz KOMPNJQLDGIQSC-VIFPVBQESA-N -1 3 314.374 2.326 20 30 DEEDHM CC1(C)CCCN(CCc2ccc(-c3nnn[n-]3)cc2)[C@@H]1C#N ZINC001590097786 1076562858 /nfs/dbraw/zinc/56/28/58/1076562858.db2.gz WNLNTZOLRJODOX-OAHLLOKOSA-N -1 3 310.405 2.423 20 30 DEEDHM CC1(C)CCCN(CCc2ccc(-c3nn[n-]n3)cc2)[C@@H]1C#N ZINC001590097786 1076562863 /nfs/dbraw/zinc/56/28/63/1076562863.db2.gz WNLNTZOLRJODOX-OAHLLOKOSA-N -1 3 310.405 2.423 20 30 DEEDHM CC[C@](C)(C#N)C(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC001590372693 1076616547 /nfs/dbraw/zinc/61/65/47/1076616547.db2.gz 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/nfs/dbraw/zinc/72/72/21/1076727221.db2.gz XJCWDLYFJVOIHB-UHFFFAOYSA-N -1 3 321.772 2.272 20 30 DEEDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)ccn1)c1cccc(C#N)c1 ZINC001591732375 1076780424 /nfs/dbraw/zinc/78/04/24/1076780424.db2.gz BAXIJADCELNVJL-SNVBAGLBSA-N -1 3 320.312 2.051 20 30 DEEDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)ccn1)c1cccc(C#N)c1 ZINC001591732375 1076780429 /nfs/dbraw/zinc/78/04/29/1076780429.db2.gz BAXIJADCELNVJL-SNVBAGLBSA-N -1 3 320.312 2.051 20 30 DEEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592427624 1076911931 /nfs/dbraw/zinc/91/19/31/1076911931.db2.gz LRQWVTOYHANYPD-RMKNXTFCSA-N -1 3 308.345 2.113 20 30 DEEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592427624 1076911932 /nfs/dbraw/zinc/91/19/32/1076911932.db2.gz LRQWVTOYHANYPD-RMKNXTFCSA-N -1 3 308.345 2.113 20 30 DEEDHM FCC1(CF)CC(=NNCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592632203 1076937633 /nfs/dbraw/zinc/93/76/33/1076937633.db2.gz SAKBYKPQKNUGJI-UHFFFAOYSA-N -1 3 306.320 2.032 20 30 DEEDHM 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CC#CCCCC(=O)Nc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC001609059634 1077752272 /nfs/dbraw/zinc/75/22/72/1077752272.db2.gz BKGFHRMFMNGNNY-UHFFFAOYSA-N -1 3 324.388 2.273 20 30 DEEDHM CC(=NOC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001609061574 1077752375 /nfs/dbraw/zinc/75/23/75/1077752375.db2.gz LKPXEEHELKGSFE-JTQLQIEISA-N -1 3 321.768 2.297 20 30 DEEDHM CC(=NOC[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001609061574 1077752380 /nfs/dbraw/zinc/75/23/80/1077752380.db2.gz LKPXEEHELKGSFE-JTQLQIEISA-N -1 3 321.768 2.297 20 30 DEEDHM CCC[C@H](CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)OC ZINC001609204506 1077797193 /nfs/dbraw/zinc/79/71/93/1077797193.db2.gz GMXXNXBBLCNIFD-SECBINFHSA-N -1 3 309.761 2.128 20 30 DEEDHM CCC[C@H](CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)OC ZINC001609204506 1077797197 /nfs/dbraw/zinc/79/71/97/1077797197.db2.gz GMXXNXBBLCNIFD-SECBINFHSA-N -1 3 309.761 2.128 20 30 DEEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C#N)cc1 ZINC001609279730 1077824263 /nfs/dbraw/zinc/82/42/63/1077824263.db2.gz 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Cc1ccc(C#N)c(NC[C@@H](C)NC(=O)c2ccccc2[O-])n1 ZINC001107626811 1083533977 /nfs/dbraw/zinc/53/39/77/1083533977.db2.gz HHYXSPBHOBZUJX-GFCCVEGCSA-N -1 3 310.357 2.198 20 30 DEEDHM CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ccccc3C=N[O-])C[C@H]1N2C ZINC001234819356 1084213532 /nfs/dbraw/zinc/21/35/32/1084213532.db2.gz KRRBBOUEAGVZCM-MPTYRVRUSA-N -1 3 318.373 2.040 20 30 DEEDHM CN(C(=O)c1ccccc1[O-])[C@@H]1CCN(c2ccc(C#N)cn2)C1 ZINC001062884495 1087294822 /nfs/dbraw/zinc/29/48/22/1087294822.db2.gz WPVVHJZCWUBJFT-CQSZACIVSA-N -1 3 322.368 2.010 20 30 DEEDHM C=CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1c(F)ccc(F)c1[O-] ZINC001273205917 1090028301 /nfs/dbraw/zinc/02/83/01/1090028301.db2.gz FVTTXNNVCFTRLK-HUUCEWRRSA-N -1 3 322.355 2.422 20 30 DEEDHM C=CCN1CC[C@]2(CCCN2Cc2cccc([O-])c2F)C1=O ZINC001274859810 1091450592 /nfs/dbraw/zinc/45/05/92/1091450592.db2.gz XGUXLQKCAGTFMG-QGZVFWFLSA-N -1 3 304.365 2.284 20 30 DEEDHM COc1ccnc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)c1 ZINC001412729524 1091734656 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MVMVOFSWJHJSPN-NSHDSACASA-N -1 3 324.388 2.129 20 30 DEEDHM C#CCN(Cc1ccccc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588352302 1076443626 /nfs/dbraw/zinc/44/36/26/1076443626.db2.gz YEPCIXGLOJSWTO-UHFFFAOYSA-N -1 3 317.352 2.142 20 30 DEEDHM C#CCN(Cc1ccccc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588352302 1076443630 /nfs/dbraw/zinc/44/36/30/1076443630.db2.gz YEPCIXGLOJSWTO-UHFFFAOYSA-N -1 3 317.352 2.142 20 30 DEEDHM C#CCN(Cc1ccccc1)C(=O)c1sccc1-c1nnn[n-]1 ZINC001588351779 1076443688 /nfs/dbraw/zinc/44/36/88/1076443688.db2.gz JSRCHTWOGOLSEC-UHFFFAOYSA-N -1 3 323.381 2.204 20 30 DEEDHM C#CCN(Cc1ccccc1)C(=O)c1sccc1-c1nn[n-]n1 ZINC001588351779 1076443690 /nfs/dbraw/zinc/44/36/90/1076443690.db2.gz JSRCHTWOGOLSEC-UHFFFAOYSA-N -1 3 323.381 2.204 20 30 DEEDHM C=C(C)C(C)(C)C(=O)OCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588402617 1076446273 /nfs/dbraw/zinc/44/62/73/1076446273.db2.gz JBQFMNWBDTVWQA-UHFFFAOYSA-N -1 3 316.361 2.391 20 30 DEEDHM C=C(C)[C@@H](CC(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1)OCC ZINC001588401732 1076446362 /nfs/dbraw/zinc/44/63/62/1076446362.db2.gz XUKFXYAKTUGIIL-CQSZACIVSA-N -1 3 315.377 2.485 20 30 DEEDHM C=C(C)[C@@H](CC(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1)OCC ZINC001588401732 1076446364 /nfs/dbraw/zinc/44/63/64/1076446364.db2.gz XUKFXYAKTUGIIL-CQSZACIVSA-N -1 3 315.377 2.485 20 30 DEEDHM C=C(C)[C@H]1OCC[C@@H]1CNc1ccc(-c2nn[n-]n2)cc1F ZINC001588401776 1076446632 /nfs/dbraw/zinc/44/66/32/1076446632.db2.gz YDOUMVIZHGTCTD-BXUZGUMPSA-N -1 3 303.341 2.399 20 30 DEEDHM C=C(C)CN(C)C(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001588425746 1076447175 /nfs/dbraw/zinc/44/71/75/1076447175.db2.gz RXXPPXIRTJOWMH-UHFFFAOYSA-N -1 3 308.292 2.185 20 30 DEEDHM C=C(C)CN(C)C(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001588425746 1076447179 /nfs/dbraw/zinc/44/71/79/1076447179.db2.gz RXXPPXIRTJOWMH-UHFFFAOYSA-N -1 3 308.292 2.185 20 30 DEEDHM C=C1CC(C)(c2noc(COc3ccccc3-c3nnn[n-]3)n2)C1 ZINC001588455793 1076449666 /nfs/dbraw/zinc/44/96/66/1076449666.db2.gz DBIZKDPFYRBOOX-UHFFFAOYSA-N -1 3 324.344 2.436 20 30 DEEDHM C=C1CC(C)(c2noc(COc3ccccc3-c3nn[n-]n3)n2)C1 ZINC001588455793 1076449671 /nfs/dbraw/zinc/44/96/71/1076449671.db2.gz DBIZKDPFYRBOOX-UHFFFAOYSA-N -1 3 324.344 2.436 20 30 DEEDHM C=C[C@](C)(CC)COC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588496072 1076450054 /nfs/dbraw/zinc/45/00/54/1076450054.db2.gz MBDLTFUKWBKLEA-MRXNPFEDSA-N -1 3 316.361 2.391 20 30 DEEDHM C=C[C@](C)(CC)COC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588496072 1076450059 /nfs/dbraw/zinc/45/00/59/1076450059.db2.gz MBDLTFUKWBKLEA-MRXNPFEDSA-N -1 3 316.361 2.391 20 30 DEEDHM C=CC(C)(C)CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001588486727 1076450697 /nfs/dbraw/zinc/45/06/97/1076450697.db2.gz KCXQXTACKKXNEF-UHFFFAOYSA-N -1 3 302.334 2.383 20 30 DEEDHM C=CC(C)(C)CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001588486727 1076450699 /nfs/dbraw/zinc/45/06/99/1076450699.db2.gz KCXQXTACKKXNEF-UHFFFAOYSA-N -1 3 302.334 2.383 20 30 DEEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588558837 1076454109 /nfs/dbraw/zinc/45/41/09/1076454109.db2.gz DSUOTTURVKIBAP-RYUDHWBXSA-N -1 3 314.393 2.070 20 30 DEEDHM C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588558837 1076454116 /nfs/dbraw/zinc/45/41/16/1076454116.db2.gz DSUOTTURVKIBAP-RYUDHWBXSA-N -1 3 314.393 2.070 20 30 DEEDHM C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588583405 1076455980 /nfs/dbraw/zinc/45/59/80/1076455980.db2.gz XANQTSBOBMAXLW-GFCCVEGCSA-N -1 3 313.365 2.224 20 30 DEEDHM C=CCC[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588583405 1076455981 /nfs/dbraw/zinc/45/59/81/1076455981.db2.gz XANQTSBOBMAXLW-GFCCVEGCSA-N -1 3 313.365 2.224 20 30 DEEDHM C=CCCCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588596560 1076457068 /nfs/dbraw/zinc/45/70/68/1076457068.db2.gz TXBPHQBSSFCFFZ-UHFFFAOYSA-N -1 3 301.354 2.130 20 30 DEEDHM C=CCCCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588596560 1076457071 /nfs/dbraw/zinc/45/70/71/1076457071.db2.gz TXBPHQBSSFCFFZ-UHFFFAOYSA-N -1 3 301.354 2.130 20 30 DEEDHM C=CCCSCCNC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001588617843 1076458163 /nfs/dbraw/zinc/45/81/63/1076458163.db2.gz CHKXBYSOUJGMBA-UHFFFAOYSA-N -1 3 321.381 2.045 20 30 DEEDHM C=CCCSCCNC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001588617843 1076458166 /nfs/dbraw/zinc/45/81/66/1076458166.db2.gz CHKXBYSOUJGMBA-UHFFFAOYSA-N -1 3 321.381 2.045 20 30 DEEDHM C=CCN(C(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1)C(C)C ZINC001588625219 1076458656 /nfs/dbraw/zinc/45/86/56/1076458656.db2.gz DSCUJTQHGVCFDL-UHFFFAOYSA-N -1 3 314.393 2.281 20 30 DEEDHM C=CCN(C(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1)C(C)C ZINC001588625219 1076458657 /nfs/dbraw/zinc/45/86/57/1076458657.db2.gz DSCUJTQHGVCFDL-UHFFFAOYSA-N -1 3 314.393 2.281 20 30 DEEDHM C=CCN(CC=C)C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588631866 1076458802 /nfs/dbraw/zinc/45/88/02/1076458802.db2.gz NKMUVJCCLDALOZ-UHFFFAOYSA-N -1 3 303.753 2.334 20 30 DEEDHM C=CCN(CC=C)C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588631866 1076458804 /nfs/dbraw/zinc/45/88/04/1076458804.db2.gz NKMUVJCCLDALOZ-UHFFFAOYSA-N -1 3 303.753 2.334 20 30 DEEDHM C=CCN(Cc1ocnc1C)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588652394 1076459779 /nfs/dbraw/zinc/45/97/79/1076459779.db2.gz XPIYWPNGDVUUSS-UHFFFAOYSA-N -1 3 310.361 2.351 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@](C)(C#N)CC ZINC001588639545 1076460164 /nfs/dbraw/zinc/46/01/64/1076460164.db2.gz SXCNIILNBAJANB-QGZVFWFLSA-N -1 3 324.388 2.321 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@](C)(C#N)CC ZINC001588639545 1076460167 /nfs/dbraw/zinc/46/01/67/1076460167.db2.gz SXCNIILNBAJANB-QGZVFWFLSA-N -1 3 324.388 2.321 20 30 DEEDHM CC#CCNc1cc(C)c(-c2nnn[n-]2)c2nc3ccccc3n21 ZINC001588752636 1076463109 /nfs/dbraw/zinc/46/31/09/1076463109.db2.gz TYSSHUUOJHOZIU-UHFFFAOYSA-N -1 3 317.356 2.411 20 30 DEEDHM CC#CCNc1cc(C)c(-c2nn[n-]n2)c2nc3ccccc3n21 ZINC001588752636 1076463111 /nfs/dbraw/zinc/46/31/11/1076463111.db2.gz TYSSHUUOJHOZIU-UHFFFAOYSA-N -1 3 317.356 2.411 20 30 DEEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C#N ZINC001588777387 1076465032 /nfs/dbraw/zinc/46/50/32/1076465032.db2.gz RDSPOCHQWSURQQ-UHFFFAOYSA-N -1 3 317.356 2.252 20 30 DEEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C#N ZINC001588777387 1076465035 /nfs/dbraw/zinc/46/50/35/1076465035.db2.gz RDSPOCHQWSURQQ-UHFFFAOYSA-N -1 3 317.356 2.252 20 30 DEEDHM C[C@@H](C#N)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nnn[n-]2)c1 ZINC001588930646 1076470477 /nfs/dbraw/zinc/47/04/77/1076470477.db2.gz CHIGPXZBIPOTLA-VIFPVBQESA-N -1 3 314.349 2.142 20 30 DEEDHM C[C@@H](C#N)C(=O)Nc1ccc(OC(C)(C)C)c(-c2nn[n-]n2)c1 ZINC001588930646 1076470479 /nfs/dbraw/zinc/47/04/79/1076470479.db2.gz CHIGPXZBIPOTLA-VIFPVBQESA-N -1 3 314.349 2.142 20 30 DEEDHM CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001589086110 1076474350 /nfs/dbraw/zinc/47/43/50/1076474350.db2.gz SSFWQHOHNGFQGI-MJBXVCDLSA-N -1 3 324.388 2.025 20 30 DEEDHM CC(C)(C)[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001589086110 1076474355 /nfs/dbraw/zinc/47/43/55/1076474355.db2.gz SSFWQHOHNGFQGI-MJBXVCDLSA-N -1 3 324.388 2.025 20 30 DEEDHM CC(C)(CC#N)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001589267385 1076482682 /nfs/dbraw/zinc/48/26/82/1076482682.db2.gz ULNJBARERKUORB-UHFFFAOYSA-N -1 3 301.310 2.127 20 30 DEEDHM CC(C)(CC#N)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001589267385 1076482683 /nfs/dbraw/zinc/48/26/83/1076482683.db2.gz ULNJBARERKUORB-UHFFFAOYSA-N -1 3 301.310 2.127 20 30 DEEDHM CC(C)[C@@H](C#N)OC(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589895562 1076526085 /nfs/dbraw/zinc/52/60/85/1076526085.db2.gz TUQJJWCSMDIEGS-SMDDNHRTSA-N -1 3 313.361 2.137 20 30 DEEDHM CC(C)[C@@H](C#N)OC(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589895562 1076526087 /nfs/dbraw/zinc/52/60/87/1076526087.db2.gz TUQJJWCSMDIEGS-SMDDNHRTSA-N -1 3 313.361 2.137 20 30 DEEDHM C[C@H]1CC2(CC(Nc3c(C#N)cccc3-c3nnn[n-]3)C2)CO1 ZINC001590224703 1076589925 /nfs/dbraw/zinc/58/99/25/1076589925.db2.gz XYRHNWNUZYGIAR-LWOUBBNUSA-N -1 3 310.361 2.108 20 30 DEEDHM C[C@H]1CC2(CC(Nc3c(C#N)cccc3-c3nn[n-]n3)C2)CO1 ZINC001590224703 1076589930 /nfs/dbraw/zinc/58/99/30/1076589930.db2.gz XYRHNWNUZYGIAR-LWOUBBNUSA-N -1 3 310.361 2.108 20 30 DEEDHM CC[C@H](C#N)N(CC)C(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001590368001 1076616379 /nfs/dbraw/zinc/61/63/79/1076616379.db2.gz QZORMCAHFMERKJ-CYBMUJFWSA-N -1 3 312.377 2.248 20 30 DEEDHM CC[C@H](C#N)N(CC)C(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001590368001 1076616381 /nfs/dbraw/zinc/61/63/81/1076616381.db2.gz QZORMCAHFMERKJ-CYBMUJFWSA-N -1 3 312.377 2.248 20 30 DEEDHM CCCCCCCCCn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001590592302 1076657574 /nfs/dbraw/zinc/65/75/74/1076657574.db2.gz MDCOLHSSQRUELG-UHFFFAOYSA-N -1 3 302.386 2.268 20 30 DEEDHM CCCCCCCCCn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001590592302 1076657575 /nfs/dbraw/zinc/65/75/75/1076657575.db2.gz MDCOLHSSQRUELG-UHFFFAOYSA-N -1 3 302.386 2.268 20 30 DEEDHM CN(C(=O)c1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC001590994121 1076701588 /nfs/dbraw/zinc/70/15/88/1076701588.db2.gz FFENPQOTIJHRKU-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM CN(C(=O)c1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC001590994121 1076701592 /nfs/dbraw/zinc/70/15/92/1076701592.db2.gz FFENPQOTIJHRKU-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM CN(C)c1ncccc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001591036079 1076705331 /nfs/dbraw/zinc/70/53/31/1076705331.db2.gz CKPFIQHXBTVQPU-MDZDMXLPSA-N -1 3 320.356 2.224 20 30 DEEDHM CN(C)c1ncccc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001591036079 1076705336 /nfs/dbraw/zinc/70/53/36/1076705336.db2.gz CKPFIQHXBTVQPU-MDZDMXLPSA-N -1 3 320.356 2.224 20 30 DEEDHM CNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C#N)cc1 ZINC001591224635 1076717544 /nfs/dbraw/zinc/71/75/44/1076717544.db2.gz MYLQTSGLGXLQRF-UHFFFAOYSA-N -1 3 319.328 2.032 20 30 DEEDHM COc1ccc(CNc2cc(F)cc(-c3nnn[n-]3)c2)cc1C#N ZINC001591601465 1076763483 /nfs/dbraw/zinc/76/34/83/1076763483.db2.gz WVQBTTDBAIHWON-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1ccc(CNc2cc(F)cc(-c3nn[n-]n3)c2)cc1C#N ZINC001591601465 1076763486 /nfs/dbraw/zinc/76/34/86/1076763486.db2.gz 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1076873845 /nfs/dbraw/zinc/87/38/45/1076873845.db2.gz BGCDZXAJHHBWQI-OAHLLOKOSA-N -1 3 320.356 2.192 20 30 DEEDHM Cc1nsc(NCc2ccc(CC#N)cc2)c1-c1nnn[n-]1 ZINC001592493144 1076918778 /nfs/dbraw/zinc/91/87/78/1076918778.db2.gz MYKKRKZUJPQEGM-UHFFFAOYSA-N -1 3 311.374 2.310 20 30 DEEDHM Cc1sc(NC(=O)CC(C)(C)C#N)c(-c2nnn[n-]2)c1C ZINC001592518481 1076922974 /nfs/dbraw/zinc/92/29/74/1076922974.db2.gz FSQBHCOGPWUZEY-UHFFFAOYSA-N -1 3 304.379 2.423 20 30 DEEDHM Cc1sc(NC(=O)CC(C)(C)C#N)c(-c2nn[n-]n2)c1C ZINC001592518481 1076922978 /nfs/dbraw/zinc/92/29/78/1076922978.db2.gz FSQBHCOGPWUZEY-UHFFFAOYSA-N -1 3 304.379 2.423 20 30 DEEDHM Fc1cc(-c2nnn[n-]2)cc(F)c1C=NO[C@H]1CCCCO1 ZINC001592634798 1076938705 /nfs/dbraw/zinc/93/87/05/1076938705.db2.gz IARVWCQBIHAOBS-LBPRGKRZSA-N -1 3 309.276 2.022 20 30 DEEDHM Fc1cc(-c2nn[n-]n2)cc(F)c1C=NO[C@H]1CCCCO1 ZINC001592634798 1076938706 /nfs/dbraw/zinc/93/87/06/1076938706.db2.gz IARVWCQBIHAOBS-LBPRGKRZSA-N -1 3 309.276 2.022 20 30 DEEDHM 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ZINC001352094085 1151681912 /nfs/dbraw/zinc/68/19/12/1151681912.db2.gz RMQOOQLJFMDJOV-SECBINFHSA-N -1 3 309.805 2.385 20 30 DEEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N(C)C[C@H](C)CC ZINC001352094085 1151681919 /nfs/dbraw/zinc/68/19/19/1151681919.db2.gz RMQOOQLJFMDJOV-SECBINFHSA-N -1 3 309.805 2.385 20 30 DEEDHM Cc1[n-][nH]c(=O)c1CCNc1c(Br)cccc1C#N ZINC001421077998 1171476792 /nfs/dbraw/zinc/47/67/92/1171476792.db2.gz BBRQDBSFUZURCS-JTQLQIEISA-N -1 3 321.178 2.245 20 30 DEEDHM COc1cccc(-c2cc(-c3nnn[n-]3)ccc2OC)c1C#N ZINC001242301683 1139889972 /nfs/dbraw/zinc/88/99/72/1139889972.db2.gz VJTBHLHXOPIKJH-UHFFFAOYSA-N -1 3 307.313 2.423 20 30 DEEDHM COc1cccc(-c2cc(-c3nn[n-]n3)ccc2OC)c1C#N ZINC001242301683 1139889973 /nfs/dbraw/zinc/88/99/73/1139889973.db2.gz VJTBHLHXOPIKJH-UHFFFAOYSA-N -1 3 307.313 2.423 20 30 DEEDHM N#CCc1ccccc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001298993578 1140115272 /nfs/dbraw/zinc/11/52/72/1140115272.db2.gz DNPSVJJRTLLHOA-UHFFFAOYSA-N -1 3 318.340 2.109 20 30 DEEDHM N#CCc1ccccc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001298993578 1140115289 /nfs/dbraw/zinc/11/52/89/1140115289.db2.gz DNPSVJJRTLLHOA-UHFFFAOYSA-N -1 3 318.340 2.109 20 30 DEEDHM Cc1ccc(C)c2c1NC(=O)C2=N[N-]c1nncc(N)c1Cl ZINC001319193434 1140522436 /nfs/dbraw/zinc/52/24/36/1140522436.db2.gz FBHNSYQLPFEAEA-UHFFFAOYSA-N -1 3 316.752 2.097 20 30 DEEDHM C=CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)OCC ZINC001320270971 1140843494 /nfs/dbraw/zinc/84/34/94/1140843494.db2.gz BLJOOFYUGDYNQD-MRVPVSSYSA-N -1 3 323.823 2.188 20 30 DEEDHM C=CC(C)(C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1Cl ZINC001337458920 1142756560 /nfs/dbraw/zinc/75/65/60/1142756560.db2.gz LJNQXVAUPRSBBE-UHFFFAOYSA-N -1 3 316.810 2.406 20 30 DEEDHM C=CC[C@@H]1CCCN(c2nnc(-c3nnc(Cl)[n-]3)n2C)C1 ZINC001338719639 1142873555 /nfs/dbraw/zinc/87/35/55/1142873555.db2.gz WJDHQDAXUSFYJJ-SECBINFHSA-N -1 3 307.789 2.046 20 30 DEEDHM C=CC[C@@H]1CCCN(c2nnc(-c3n[n-]c(Cl)n3)n2C)C1 ZINC001338719639 1142873556 /nfs/dbraw/zinc/87/35/56/1142873556.db2.gz WJDHQDAXUSFYJJ-SECBINFHSA-N -1 3 307.789 2.046 20 30 DEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC(C=C)CC1 ZINC001340343862 1143327206 /nfs/dbraw/zinc/32/72/06/1143327206.db2.gz YKDLRSWGZFJIMW-UHFFFAOYSA-N -1 3 312.377 2.029 20 30 DEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@@H](C)[C@H]1CC ZINC001340501805 1143360347 /nfs/dbraw/zinc/36/03/47/1143360347.db2.gz OBXGGJOGBFLADM-ZYHUDNBSSA-N -1 3 303.366 2.450 20 30 DEEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1cccc(C)n1 ZINC001342606705 1143826257 /nfs/dbraw/zinc/82/62/57/1143826257.db2.gz NXWLBTJIHRRBAI-GFCCVEGCSA-N -1 3 309.325 2.360 20 30 DEEDHM C=CCS(=O)(=O)[N-][C@@H](C(=O)OC)c1cccc2ccccc21 ZINC001259934294 1144161004 /nfs/dbraw/zinc/16/10/04/1144161004.db2.gz LWZOVFWVZXHDQN-OAHLLOKOSA-N -1 3 319.382 2.159 20 30 DEEDHM CCn1ncc([N-]S(=O)(=O)Cc2ccc(C#N)cc2)c1C ZINC001260037951 1144171289 /nfs/dbraw/zinc/17/12/89/1144171289.db2.gz IUMZWQGQJWTOST-UHFFFAOYSA-N -1 3 304.375 2.025 20 30 DEEDHM C=CCn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@@H](CC)C1 ZINC001262988166 1144348569 /nfs/dbraw/zinc/34/85/69/1144348569.db2.gz MSSZVJGLLFYMEN-GFCCVEGCSA-N -1 3 314.393 2.171 20 30 DEEDHM CCn1ccnc1C(C#N)=C([O-])C=Cc1ccc(C(=O)OC)o1 ZINC001263615696 1144383287 /nfs/dbraw/zinc/38/32/87/1144383287.db2.gz CTTOPZFSVJEFMT-FVOPLDGLSA-N -1 3 313.313 2.172 20 30 DEEDHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(CC#N)cc2)[n-]n1 ZINC001364997479 1145743565 /nfs/dbraw/zinc/74/35/65/1145743565.db2.gz GFIYDNRVVUZVSA-UHFFFAOYSA-N -1 3 312.329 2.293 20 30 DEEDHM CC(C)OC(=O)c1cc(NC(=O)c2ccc(CC#N)cc2)n[n-]1 ZINC001364997479 1145743571 /nfs/dbraw/zinc/74/35/71/1145743571.db2.gz GFIYDNRVVUZVSA-UHFFFAOYSA-N -1 3 312.329 2.293 20 30 DEEDHM C=CCCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])[C@H]1C ZINC001290578512 1146838633 /nfs/dbraw/zinc/83/86/33/1146838633.db2.gz PVTWONIWPAFZIK-OCCSQVGLSA-N -1 3 302.374 2.078 20 30 DEEDHM C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC001492193516 1147138351 /nfs/dbraw/zinc/13/83/51/1147138351.db2.gz PMSQNCANGDFDET-ZDUSSCGKSA-N -1 3 316.401 2.325 20 30 DEEDHM CCOC(=O)[C@@H]1C[C@H]1C(=O)N([O-])CCCCc1ccccc1 ZINC001306896415 1147392434 /nfs/dbraw/zinc/39/24/34/1147392434.db2.gz WETLSKNWGPFSJY-HUUCEWRRSA-N -1 3 305.374 2.426 20 30 DEEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cnnn1-c1ccccc1 ZINC000625111141 365645718 /nfs/dbraw/zinc/64/57/18/365645718.db2.gz JUZNWKBHFWKZKT-CYBMUJFWSA-N -1 3 320.418 2.290 20 30 DEEDHM CC(=O)c1ccc(C(=O)NC2(C#N)CCSCC2)cc1[O-] ZINC000612993863 361975650 /nfs/dbraw/zinc/97/56/50/361975650.db2.gz NISUSCUZMXYYMW-UHFFFAOYSA-N -1 3 304.371 2.114 20 30 DEEDHM Cc1cc([N-]S(=O)(=O)[C@H](C)C#N)ccc1Br ZINC000088474111 185252413 /nfs/dbraw/zinc/25/24/13/185252413.db2.gz ZVCITOXPDZWZOQ-MRVPVSSYSA-N -1 3 303.181 2.411 20 30 DEEDHM COc1cc(/N=C/c2c([O-])c(C)ncc2CO)cc(OC)c1 ZINC000005110593 353993670 /nfs/dbraw/zinc/99/36/70/353993670.db2.gz NKNUJUGGMXNLGK-QGMBQPNBSA-N -1 3 302.330 2.356 20 30 DEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1O ZINC000016483080 354038331 /nfs/dbraw/zinc/03/83/31/354038331.db2.gz FXEIOGKOLAODMM-UHFFFAOYSA-N -1 3 311.341 2.140 20 30 DEEDHM CCSc1nnc([N-]C(=O)c2ccc(C#N)c(C)n2)s1 ZINC000031874305 354141439 /nfs/dbraw/zinc/14/14/39/354141439.db2.gz YWHUCHWUOFOJET-UHFFFAOYSA-N -1 3 305.388 2.478 20 30 DEEDHM COC(=O)c1ccc(C(=O)Nc2nnc(-c3ccco3)[n-]2)cc1 ZINC000073972990 354996328 /nfs/dbraw/zinc/99/63/28/354996328.db2.gz LJFSFPNDICACOF-UHFFFAOYSA-N -1 3 312.285 2.488 20 30 DEEDHM COC(=O)c1ccc(C(=O)Nc2nc(-c3ccco3)n[n-]2)cc1 ZINC000073972990 354996331 /nfs/dbraw/zinc/99/63/31/354996331.db2.gz LJFSFPNDICACOF-UHFFFAOYSA-N -1 3 312.285 2.488 20 30 DEEDHM COC(=O)c1ccc(C(=O)Nc2n[n-]c(-c3ccco3)n2)cc1 ZINC000073972990 354996333 /nfs/dbraw/zinc/99/63/33/354996333.db2.gz LJFSFPNDICACOF-UHFFFAOYSA-N -1 3 312.285 2.488 20 30 DEEDHM CC(C)c1nc(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)c[nH]1 ZINC000122905610 355801675 /nfs/dbraw/zinc/80/16/75/355801675.db2.gz SSPBXEGVDMZJTN-LLVKDONJSA-N -1 3 318.402 2.444 20 30 DEEDHM COC(=O)c1ccc(C(=O)[N-]c2n[nH]c(C3CC3)c2C#N)s1 ZINC000290504398 356378633 /nfs/dbraw/zinc/37/86/33/356378633.db2.gz NCSHATCDUMGGMC-UHFFFAOYSA-N -1 3 316.342 2.259 20 30 DEEDHM N#CCCCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081674315 192310517 /nfs/dbraw/zinc/31/05/17/192310517.db2.gz KEYNAAIIJWNUGT-UHFFFAOYSA-N -1 3 308.190 2.361 20 30 DEEDHM Cc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1cccnc1C#N ZINC000579426919 356970085 /nfs/dbraw/zinc/97/00/85/356970085.db2.gz LZPRBOLXCLEGGH-CQSZACIVSA-N -1 3 313.382 2.228 20 30 DEEDHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000592382213 357870131 /nfs/dbraw/zinc/87/01/31/357870131.db2.gz MFNPHRIPKJTGBE-NSHDSACASA-N -1 3 300.355 2.051 20 30 DEEDHM N#CC[C@@]1(O)CCN(Cc2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000592523264 357894049 /nfs/dbraw/zinc/89/40/49/357894049.db2.gz XMWUYFNKUBMPQW-CYBMUJFWSA-N -1 3 300.280 2.261 20 30 DEEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCO1 ZINC000180123791 199120228 /nfs/dbraw/zinc/12/02/28/199120228.db2.gz SWEYHEVQWKQWOS-CYBMUJFWSA-N -1 3 314.794 2.059 20 30 DEEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCOC1 ZINC000594765069 358334625 /nfs/dbraw/zinc/33/46/25/358334625.db2.gz IQBRVYMLBMIVEV-NSHDSACASA-N -1 3 322.411 2.149 20 30 DEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(N)c1 ZINC000595250087 358406224 /nfs/dbraw/zinc/40/62/24/358406224.db2.gz JIUFURKZQIFBOT-UHFFFAOYSA-N -1 3 324.384 2.107 20 30 DEEDHM CC(C)CC1([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000595367737 358433261 /nfs/dbraw/zinc/43/32/61/358433261.db2.gz GYRVJONECYFMQL-UHFFFAOYSA-N -1 3 323.374 2.323 20 30 DEEDHM CSc1ccc([O-])c(C(=O)NC[C@H]2CCCN(CC#N)C2)c1 ZINC000598686508 359290582 /nfs/dbraw/zinc/29/05/82/359290582.db2.gz DMRLNMATFBQDBC-GFCCVEGCSA-N -1 3 319.430 2.079 20 30 DEEDHM N#C[C@@H]1COCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000091681448 193090698 /nfs/dbraw/zinc/09/06/98/193090698.db2.gz LIUHNUSILFNOOB-MRXNPFEDSA-N -1 3 322.364 2.348 20 30 DEEDHM CCC[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)OC ZINC000451642798 243254253 /nfs/dbraw/zinc/25/42/53/243254253.db2.gz YXZFMWGCOOTXAL-JTQLQIEISA-N -1 3 316.810 2.305 20 30 DEEDHM C[C@@H](CCCCO)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000451723164 243367254 /nfs/dbraw/zinc/36/72/54/243367254.db2.gz YLEGNIBCJARACL-JTQLQIEISA-N -1 3 316.810 2.041 20 30 DEEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)[C@H](C)C1 ZINC000267769831 206270250 /nfs/dbraw/zinc/27/02/50/206270250.db2.gz ZUQKNJJHEOUMFF-PHIMTYICSA-N -1 3 301.390 2.323 20 30 DEEDHM C=CCCCC[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1F ZINC000681156601 542104727 /nfs/dbraw/zinc/10/47/27/542104727.db2.gz IJFJNXNXSCOPRS-UHFFFAOYSA-N -1 3 314.382 2.419 20 30 DEEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000040362422 183057338 /nfs/dbraw/zinc/05/73/38/183057338.db2.gz UAIMBTWFKREXQA-LURJTMIESA-N -1 3 323.599 2.293 20 30 DEEDHM Cc1csc(C(C#N)=C([O-])c2ccc3c(c2)NC(=O)CO3)n1 ZINC000041519088 183196784 /nfs/dbraw/zinc/19/67/84/183196784.db2.gz MUPGTZKDHVLQPK-SNVBAGLBSA-N -1 3 313.338 2.273 20 30 DEEDHM N#CC(=C([O-])c1cnc2n[nH]nc2c1)c1ccc2ccccc2n1 ZINC000682128115 542267804 /nfs/dbraw/zinc/26/78/04/542267804.db2.gz UOICARDDWNSKKX-LBPRGKRZSA-N -1 3 314.308 2.391 20 30 DEEDHM CCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2ccccn2)cc1 ZINC000064101054 184292371 /nfs/dbraw/zinc/29/23/71/184292371.db2.gz KPHVFLOXILIVAK-AWEZNQCLSA-N -1 3 314.366 2.365 20 30 DEEDHM COc1ccc(S(=O)(=O)[N-]CC(C)(C)CC#N)c(F)c1 ZINC000416534024 533055997 /nfs/dbraw/zinc/05/59/97/533055997.db2.gz VVWVQFFHYPIIBK-UHFFFAOYSA-N -1 3 300.355 2.052 20 30 DEEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1cccs1 ZINC000156171397 197092150 /nfs/dbraw/zinc/09/21/50/197092150.db2.gz CASFWMPEICZOBQ-UHFFFAOYSA-N -1 3 310.375 2.280 20 30 DEEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1ccc(F)cc1 ZINC000156077751 197085603 /nfs/dbraw/zinc/08/56/03/197085603.db2.gz DWOSYDHRRGAVJC-UHFFFAOYSA-N -1 3 322.336 2.357 20 30 DEEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c[nH]c1=O ZINC000543729496 285310016 /nfs/dbraw/zinc/31/00/16/285310016.db2.gz KVJYMKZSGFKNOV-UHFFFAOYSA-N -1 3 323.761 2.422 20 30 DEEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(C#N)o2)c1 ZINC000340702396 132164774 /nfs/dbraw/zinc/16/47/74/132164774.db2.gz ADHYUDJFCBRWOL-UHFFFAOYSA-N -1 3 319.342 2.084 20 30 DEEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]1C1CCC1 ZINC000563021609 292025232 /nfs/dbraw/zinc/02/52/32/292025232.db2.gz QZNZPFWJOYKPPH-JSGCOSHPSA-N -1 3 308.378 2.412 20 30 DEEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc(C#N)s2)s1 ZINC000312075536 145353895 /nfs/dbraw/zinc/35/38/95/145353895.db2.gz JKHVEAITROQKMP-UHFFFAOYSA-N -1 3 313.429 2.172 20 30 DEEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1Cl ZINC000116905334 401864326 /nfs/dbraw/zinc/86/43/26/401864326.db2.gz UPFSECPDEGKMRG-VIFPVBQESA-N -1 3 317.794 2.370 20 30 DEEDHM COC(=O)c1cccc(NC(=O)c2cc(C#N)cs2)c1[O-] ZINC000084389186 401905626 /nfs/dbraw/zinc/90/56/26/401905626.db2.gz JQUNYLSJRUXZKX-UHFFFAOYSA-N -1 3 302.311 2.364 20 30 DEEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1ccco1 ZINC000119286821 401938995 /nfs/dbraw/zinc/93/89/95/401938995.db2.gz SNMAUZOFVRZYLZ-UHFFFAOYSA-N -1 3 310.762 2.326 20 30 DEEDHM CC(C)(C)CC(=O)NCC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000065044848 402122670 /nfs/dbraw/zinc/12/26/70/402122670.db2.gz FMSHFGWOZJFCTF-UHFFFAOYSA-N -1 3 305.338 2.205 20 30 DEEDHM CC(C)(C)CC(=O)NCC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000065044848 402122672 /nfs/dbraw/zinc/12/26/72/402122672.db2.gz FMSHFGWOZJFCTF-UHFFFAOYSA-N -1 3 305.338 2.205 20 30 DEEDHM CC(C)(C)CC(=O)NCC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000065044848 402122673 /nfs/dbraw/zinc/12/26/73/402122673.db2.gz FMSHFGWOZJFCTF-UHFFFAOYSA-N -1 3 305.338 2.205 20 30 DEEDHM N#Cc1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000125262098 402222297 /nfs/dbraw/zinc/22/22/97/402222297.db2.gz AYMGQRJQOGGTSP-UHFFFAOYSA-N -1 3 321.380 2.222 20 30 DEEDHM CCCOc1ccc(/C=N/[C@@H]2CCN(C(=O)NCC)C2)c([O-])c1 ZINC000155058016 402243960 /nfs/dbraw/zinc/24/39/60/402243960.db2.gz JQIGBXABCXRNIQ-HIPSJFSSSA-N -1 3 319.405 2.404 20 30 DEEDHM N#Cc1ncccc1S(=O)(=O)[N-]CCc1ccc(Cl)cc1 ZINC000236056746 402365604 /nfs/dbraw/zinc/36/56/04/402365604.db2.gz 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Cc1ccc(CNC(=O)c2cc3c(cc2[O-])OCO3)cc1C#N ZINC001455563953 1057734212 /nfs/dbraw/zinc/73/42/12/1057734212.db2.gz VQTREQLJDPIZKY-UHFFFAOYSA-N -1 3 310.309 2.231 20 30 DEEDHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1 ZINC001458009907 1058040653 /nfs/dbraw/zinc/04/06/53/1058040653.db2.gz HMZIUOPMKQENGZ-CYBMUJFWSA-N -1 3 320.389 2.374 20 30 DEEDHM Cn1ncc2c1nc(S[C@H](C#N)Cc1ccccc1)[n-]c2=O ZINC001459183119 1058133874 /nfs/dbraw/zinc/13/38/74/1058133874.db2.gz GDEPOEBKHLWCCM-NSHDSACASA-N -1 3 311.370 2.296 20 30 DEEDHM N#Cc1c[n-]n2c1nc(CN1CCCC3(CCCC3)C1)cc2=O ZINC001459972324 1058239579 /nfs/dbraw/zinc/23/95/79/1058239579.db2.gz WOCSQMCVZOEHGL-UHFFFAOYSA-N -1 3 311.389 2.463 20 30 DEEDHM Cc1cc(C#N)c(=O)n(Cc2cc(=O)[n-]c(-c3ccccc3)n2)c1 ZINC001613862593 1078119396 /nfs/dbraw/zinc/11/93/96/1078119396.db2.gz FNWHGUMJDSIKFH-UHFFFAOYSA-N -1 3 318.336 2.239 20 30 DEEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2cccs2)s1 ZINC001569561877 1065594150 /nfs/dbraw/zinc/59/41/50/1065594150.db2.gz 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C#C[C@H](NC(=O)c1ccc(OCCCC)cc1[O-])[C@@H]1CCCO1 ZINC001558968564 1075110008 /nfs/dbraw/zinc/11/00/08/1075110008.db2.gz VALKLZKWGFFIDL-RDJZCZTQSA-N -1 3 317.385 2.482 20 30 DEEDHM CCCCCCN([O-])C(=O)CN1C(=O)c2ccccc2C1=O ZINC001559035023 1075111432 /nfs/dbraw/zinc/11/14/32/1075111432.db2.gz ZILVEXHQPRUHCS-UHFFFAOYSA-N -1 3 304.346 2.081 20 30 DEEDHM Cc1cc(C#N)cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC001580768607 1075990374 /nfs/dbraw/zinc/99/03/74/1075990374.db2.gz DSPKZXMKONKSRC-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(C#N)cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC001580768607 1075990376 /nfs/dbraw/zinc/99/03/76/1075990376.db2.gz DSPKZXMKONKSRC-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1ccc(C#N)c(N(C)CCc2cccc(-c3nnn[n-]3)c2)n1 ZINC001581138006 1076044665 /nfs/dbraw/zinc/04/46/65/1076044665.db2.gz MAJXLNDGPYVUOV-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM Cc1ccc(C#N)c(N(C)CCc2cccc(-c3nn[n-]n3)c2)n1 ZINC001581138006 1076044670 /nfs/dbraw/zinc/04/46/70/1076044670.db2.gz MAJXLNDGPYVUOV-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM Cc1ccnc(N(C)CCc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC001581279509 1076061659 /nfs/dbraw/zinc/06/16/59/1076061659.db2.gz WXRGDYJINDHLQR-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM Cc1ccnc(N(C)CCc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC001581279509 1076061662 /nfs/dbraw/zinc/06/16/62/1076061662.db2.gz WXRGDYJINDHLQR-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM Cc1ncsc1CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001581586515 1076083860 /nfs/dbraw/zinc/08/38/60/1076083860.db2.gz SGAJJKMKCRAENA-UHFFFAOYSA-N -1 3 311.374 2.158 20 30 DEEDHM Cc1ncsc1CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001581586515 1076083865 /nfs/dbraw/zinc/08/38/65/1076083865.db2.gz SGAJJKMKCRAENA-UHFFFAOYSA-N -1 3 311.374 2.158 20 30 DEEDHM N#Cc1cncc(CN2CCCc3cc(-c4nn[n-]n4)ccc32)c1 ZINC001581877621 1076107152 /nfs/dbraw/zinc/10/71/52/1076107152.db2.gz BLJGGZSMRZAYGG-UHFFFAOYSA-N -1 3 317.356 2.086 20 30 DEEDHM N#Cc1sccc1C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001581885627 1076108608 /nfs/dbraw/zinc/10/86/08/1076108608.db2.gz IHYVXPSVZIWIFZ-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM N#Cc1sccc1C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001581885627 1076108622 /nfs/dbraw/zinc/10/86/22/1076108622.db2.gz IHYVXPSVZIWIFZ-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM COCCCCN(C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC001585269945 1076345148 /nfs/dbraw/zinc/34/51/48/1076345148.db2.gz UIDWQOBZNHSEAD-UHFFFAOYSA-N -1 3 319.405 2.093 20 30 DEEDHM C#C[C@H](OC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1)C1CC1 ZINC001588328898 1076440069 /nfs/dbraw/zinc/44/00/69/1076440069.db2.gz SWQDXEIYMXFIQZ-LBPRGKRZSA-N -1 3 302.721 2.089 20 30 DEEDHM C#C[C@H](OC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1)C1CC1 ZINC001588328898 1076440071 /nfs/dbraw/zinc/44/00/71/1076440071.db2.gz SWQDXEIYMXFIQZ-LBPRGKRZSA-N -1 3 302.721 2.089 20 30 DEEDHM C#CC[C@H](OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)C(C)(C)C ZINC001588334654 1076442098 /nfs/dbraw/zinc/44/20/98/1076442098.db2.gz FHXQCQSNJWJYFH-ZDUSSCGKSA-N -1 3 313.361 2.165 20 30 DEEDHM C#CC[C@H](OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)C(C)(C)C ZINC001588334654 1076442099 /nfs/dbraw/zinc/44/20/99/1076442099.db2.gz FHXQCQSNJWJYFH-ZDUSSCGKSA-N -1 3 313.361 2.165 20 30 DEEDHM C#CCCCCCC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588345320 1076442165 /nfs/dbraw/zinc/44/21/65/1076442165.db2.gz ZCWUWWJCHYZJGZ-UHFFFAOYSA-N -1 3 313.361 2.398 20 30 DEEDHM C#CCCCCCC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588345320 1076442168 /nfs/dbraw/zinc/44/21/68/1076442168.db2.gz ZCWUWWJCHYZJGZ-UHFFFAOYSA-N -1 3 313.361 2.398 20 30 DEEDHM C#CCCOC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588346646 1076443525 /nfs/dbraw/zinc/44/35/25/1076443525.db2.gz FBNSFYMHTMDPRB-LBPRGKRZSA-N -1 3 313.361 2.410 20 30 DEEDHM C#CCCOC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588346646 1076443527 /nfs/dbraw/zinc/44/35/27/1076443527.db2.gz FBNSFYMHTMDPRB-LBPRGKRZSA-N -1 3 313.361 2.410 20 30 DEEDHM C#Cc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC001588374972 1076444088 /nfs/dbraw/zinc/44/40/88/1076444088.db2.gz YYMPVMVWIHWXMN-UHFFFAOYSA-N -1 3 306.285 2.500 20 30 DEEDHM C#Cc1ccc(Nc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])cc1 ZINC001588374972 1076444092 /nfs/dbraw/zinc/44/40/92/1076444092.db2.gz YYMPVMVWIHWXMN-UHFFFAOYSA-N -1 3 306.285 2.500 20 30 DEEDHM C#Cc1cccc(CNC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588374563 1076444434 /nfs/dbraw/zinc/44/44/34/1076444434.db2.gz BFZDFDGWAKFARD-UHFFFAOYSA-N -1 3 318.340 2.170 20 30 DEEDHM C#Cc1cccc(CNC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588374563 1076444435 /nfs/dbraw/zinc/44/44/35/1076444435.db2.gz BFZDFDGWAKFARD-UHFFFAOYSA-N -1 3 318.340 2.170 20 30 DEEDHM C=C1CCN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001588462864 1076449418 /nfs/dbraw/zinc/44/94/18/1076449418.db2.gz RYJBIRQAGOIRKS-UHFFFAOYSA-N -1 3 302.313 2.190 20 30 DEEDHM C=C1CCN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001588462864 1076449419 /nfs/dbraw/zinc/44/94/19/1076449419.db2.gz RYJBIRQAGOIRKS-UHFFFAOYSA-N -1 3 302.313 2.190 20 30 DEEDHM C=C1CCN(C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC001588463046 1076449611 /nfs/dbraw/zinc/44/96/11/1076449611.db2.gz XXSZEWRZGFRRIA-UHFFFAOYSA-N -1 3 309.373 2.077 20 30 DEEDHM C=C1CCN(C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC001588463046 1076449612 /nfs/dbraw/zinc/44/96/12/1076449612.db2.gz XXSZEWRZGFRRIA-UHFFFAOYSA-N -1 3 309.373 2.077 20 30 DEEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588496568 1076450605 /nfs/dbraw/zinc/45/06/05/1076450605.db2.gz SHVMTKCIKWBAKP-OAHLLOKOSA-N -1 3 301.350 2.416 20 30 DEEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588496568 1076450607 /nfs/dbraw/zinc/45/06/07/1076450607.db2.gz SHVMTKCIKWBAKP-OAHLLOKOSA-N -1 3 301.350 2.416 20 30 DEEDHM C=CC[C@@H](CC)NC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001588541902 1076452667 /nfs/dbraw/zinc/45/26/67/1076452667.db2.gz UQJSHOLCGFWDLG-SECBINFHSA-N -1 3 307.304 2.229 20 30 DEEDHM C=CC[C@@H](CC)NC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001588541902 1076452669 /nfs/dbraw/zinc/45/26/69/1076452669.db2.gz UQJSHOLCGFWDLG-SECBINFHSA-N -1 3 307.304 2.229 20 30 DEEDHM C=CCC1(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CCCCC1 ZINC001588557348 1076453958 /nfs/dbraw/zinc/45/39/58/1076453958.db2.gz MPMPJENXKUQMNV-UHFFFAOYSA-N -1 3 300.366 2.204 20 30 DEEDHM C=CCC1(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CCCCC1 ZINC001588557348 1076453959 /nfs/dbraw/zinc/45/39/59/1076453959.db2.gz MPMPJENXKUQMNV-UHFFFAOYSA-N -1 3 300.366 2.204 20 30 DEEDHM C=CCCC(C)(C)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588577890 1076455336 /nfs/dbraw/zinc/45/53/36/1076455336.db2.gz QKCUOTYFFHQCII-UHFFFAOYSA-N -1 3 315.377 2.107 20 30 DEEDHM C=CCCCCCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588593393 1076456098 /nfs/dbraw/zinc/45/60/98/1076456098.db2.gz DCQZAXGGIIWHNV-UHFFFAOYSA-N -1 3 315.381 2.472 20 30 DEEDHM C=CCCCCCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588593393 1076456100 /nfs/dbraw/zinc/45/61/00/1076456100.db2.gz DCQZAXGGIIWHNV-UHFFFAOYSA-N -1 3 315.381 2.472 20 30 DEEDHM CC#CCCCC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001588746435 1076462864 /nfs/dbraw/zinc/46/28/64/1076462864.db2.gz RKNBUQNXNIZGOF-UHFFFAOYSA-N -1 3 305.288 2.277 20 30 DEEDHM CC#CCCCC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001588746435 1076462867 /nfs/dbraw/zinc/46/28/67/1076462867.db2.gz RKNBUQNXNIZGOF-UHFFFAOYSA-N -1 3 305.288 2.277 20 30 DEEDHM CC(C)(C#N)CNc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC001589036206 1076472496 /nfs/dbraw/zinc/47/24/96/1076472496.db2.gz YIBVDRFDNKURBV-UHFFFAOYSA-N -1 3 308.349 2.014 20 30 DEEDHM CC(C)[C@@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589437005 1076488804 /nfs/dbraw/zinc/48/88/04/1076488804.db2.gz PCVNINIDQDNJCB-RISCZKNCSA-N -1 3 313.361 2.137 20 30 DEEDHM CC(C)[C@@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589437005 1076488805 /nfs/dbraw/zinc/48/88/05/1076488805.db2.gz PCVNINIDQDNJCB-RISCZKNCSA-N -1 3 313.361 2.137 20 30 DEEDHM C[C@@H](CC#N)C(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001589788429 1076516053 /nfs/dbraw/zinc/51/60/53/1076516053.db2.gz WFSNHFALIFFION-QMMMGPOBSA-N -1 3 304.741 2.033 20 30 DEEDHM C[C@@H](CC#N)C(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001589788429 1076516059 /nfs/dbraw/zinc/51/60/59/1076516059.db2.gz WFSNHFALIFFION-QMMMGPOBSA-N -1 3 304.741 2.033 20 30 DEEDHM CC1(C)C[C@H](CNc2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001590080691 1076557524 /nfs/dbraw/zinc/55/75/24/1076557524.db2.gz OFDLJKGMMMVSAT-LLVKDONJSA-N -1 3 312.377 2.355 20 30 DEEDHM CC1(C)C[C@H](CNc2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001590080691 1076557530 /nfs/dbraw/zinc/55/75/30/1076557530.db2.gz OFDLJKGMMMVSAT-LLVKDONJSA-N -1 3 312.377 2.355 20 30 DEEDHM CCC(=NNCCc1ccncc1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359177 1076615498 /nfs/dbraw/zinc/61/54/98/1076615498.db2.gz RPKNCKUKNJWPCQ-UHFFFAOYSA-N -1 3 321.388 2.208 20 30 DEEDHM CCC(=NNCCc1ccncc1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359177 1076615505 /nfs/dbraw/zinc/61/55/05/1076615505.db2.gz RPKNCKUKNJWPCQ-UHFFFAOYSA-N -1 3 321.388 2.208 20 30 DEEDHM CC[C@H](C#N)N(CC)C(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001590368030 1076616479 /nfs/dbraw/zinc/61/64/79/1076616479.db2.gz RVZDPTDWLQKAEB-SNVBAGLBSA-N -1 3 318.768 2.284 20 30 DEEDHM CC[C@H](C#N)N(CC)C(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001590368030 1076616481 /nfs/dbraw/zinc/61/64/81/1076616481.db2.gz RVZDPTDWLQKAEB-SNVBAGLBSA-N -1 3 318.768 2.284 20 30 DEEDHM CC[C@H](C#N)C(=O)N1CCC(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001590367661 1076616602 /nfs/dbraw/zinc/61/66/02/1076616602.db2.gz WCAXZTHZLVZULE-GFCCVEGCSA-N -1 3 324.388 2.122 20 30 DEEDHM CC[C@H](C#N)C(=O)N1CCC(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590367661 1076616605 /nfs/dbraw/zinc/61/66/05/1076616605.db2.gz WCAXZTHZLVZULE-GFCCVEGCSA-N -1 3 324.388 2.122 20 30 DEEDHM CCCCCOC1CN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001590597175 1076657975 /nfs/dbraw/zinc/65/79/75/1076657975.db2.gz LHAWCSUBBHUNHR-UHFFFAOYSA-N -1 3 312.377 2.134 20 30 DEEDHM CCCCCOC1CN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001590597175 1076657976 /nfs/dbraw/zinc/65/79/76/1076657976.db2.gz LHAWCSUBBHUNHR-UHFFFAOYSA-N -1 3 312.377 2.134 20 30 DEEDHM CCOC1CC2(C[C@@H]2Nc2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001590793783 1076677371 /nfs/dbraw/zinc/67/73/71/1076677371.db2.gz BSSJJZJFQQUWPK-ULKWEWGCSA-N -1 3 310.361 2.108 20 30 DEEDHM CCOC1CC2(C[C@@H]2Nc2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001590793783 1076677372 /nfs/dbraw/zinc/67/73/72/1076677372.db2.gz BSSJJZJFQQUWPK-ULKWEWGCSA-N -1 3 310.361 2.108 20 30 DEEDHM CCc1onc(C)c1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590937891 1076696968 /nfs/dbraw/zinc/69/69/68/1076696968.db2.gz CSJWCTBEFURMGN-UHFFFAOYSA-N -1 3 309.333 2.209 20 30 DEEDHM CCc1onc(C)c1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590937891 1076696971 /nfs/dbraw/zinc/69/69/71/1076696971.db2.gz CSJWCTBEFURMGN-UHFFFAOYSA-N -1 3 309.333 2.209 20 30 DEEDHM CN(C(=O)c1sccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC001590998435 1076703033 /nfs/dbraw/zinc/70/30/33/1076703033.db2.gz RXHHVSLMBKDZAQ-UHFFFAOYSA-N -1 3 310.342 2.076 20 30 DEEDHM CN(C(=O)c1sccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001590998435 1076703035 /nfs/dbraw/zinc/70/30/35/1076703035.db2.gz RXHHVSLMBKDZAQ-UHFFFAOYSA-N -1 3 310.342 2.076 20 30 DEEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001591140606 1076712546 /nfs/dbraw/zinc/71/25/46/1076712546.db2.gz QBJVVZBGMQRGEW-UHFFFAOYSA-N -1 3 318.340 2.011 20 30 DEEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001591140606 1076712550 /nfs/dbraw/zinc/71/25/50/1076712550.db2.gz QBJVVZBGMQRGEW-UHFFFAOYSA-N -1 3 318.340 2.011 20 30 DEEDHM COc1cc(O)ccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC001591548042 1076756575 /nfs/dbraw/zinc/75/65/75/1076756575.db2.gz VXFDQVQPARWXES-UHFFFAOYSA-N -1 3 310.317 2.027 20 30 DEEDHM COc1ccc(C#N)cc1NCc1csc(-c2nnn[n-]2)c1 ZINC001591570334 1076759516 /nfs/dbraw/zinc/75/95/16/1076759516.db2.gz JIUGSKSNNWKCFO-UHFFFAOYSA-N -1 3 312.358 2.421 20 30 DEEDHM COc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1O ZINC001591571636 1076759702 /nfs/dbraw/zinc/75/97/02/1076759702.db2.gz OWTOCRPMMSNTNJ-FNORWQNLSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1O ZINC001591571636 1076759703 /nfs/dbraw/zinc/75/97/03/1076759703.db2.gz OWTOCRPMMSNTNJ-FNORWQNLSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1ccc2c(c1)CN(c1c(C#N)cccc1-c1nnn[n-]1)C2 ZINC001591627693 1076767650 /nfs/dbraw/zinc/76/76/50/1076767650.db2.gz VVIZYJIPGGDUOV-UHFFFAOYSA-N -1 3 318.340 2.267 20 30 DEEDHM COc1ccc2c(c1)CN(c1c(C#N)cccc1-c1nn[n-]n1)C2 ZINC001591627693 1076767656 /nfs/dbraw/zinc/76/76/56/1076767656.db2.gz VVIZYJIPGGDUOV-UHFFFAOYSA-N -1 3 318.340 2.267 20 30 DEEDHM Cc1c(C(=O)N(C)c2ccc(C#N)cc2)cccc1-c1nnn[n-]1 ZINC001591802581 1076786250 /nfs/dbraw/zinc/78/62/50/1076786250.db2.gz YYBOQTMRDRIDSM-UHFFFAOYSA-N -1 3 318.340 2.323 20 30 DEEDHM Cc1c(C(=O)N(C)c2ccc(C#N)cc2)cccc1-c1nn[n-]n1 ZINC001591802581 1076786252 /nfs/dbraw/zinc/78/62/52/1076786252.db2.gz YYBOQTMRDRIDSM-UHFFFAOYSA-N -1 3 318.340 2.323 20 30 DEEDHM Cc1ccc(C#N)cc1NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001592113612 1076849865 /nfs/dbraw/zinc/84/98/65/1076849865.db2.gz TXSVWIRNOABTPX-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1ccc(C#N)cc1NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001592113612 1076849870 /nfs/dbraw/zinc/84/98/70/1076849870.db2.gz TXSVWIRNOABTPX-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1ccc(C(=O)OCc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC001592132732 1076856366 /nfs/dbraw/zinc/85/63/66/1076856366.db2.gz DDMVHMRNZWHUPR-UHFFFAOYSA-N -1 3 319.324 2.404 20 30 DEEDHM Cc1ccc(C(=O)OCc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC001592132732 1076856371 /nfs/dbraw/zinc/85/63/71/1076856371.db2.gz DDMVHMRNZWHUPR-UHFFFAOYSA-N -1 3 319.324 2.404 20 30 DEEDHM Cc1ncsc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001592423353 1076911611 /nfs/dbraw/zinc/91/16/11/1076911611.db2.gz CINISVHJRIMDAY-IZZDOVSWSA-N -1 3 309.354 2.454 20 30 DEEDHM Cc1ncsc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001592423353 1076911612 /nfs/dbraw/zinc/91/16/12/1076911612.db2.gz CINISVHJRIMDAY-IZZDOVSWSA-N -1 3 309.354 2.454 20 30 DEEDHM N#CC1(c2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)CCCC1 ZINC001592671650 1076949564 /nfs/dbraw/zinc/94/95/64/1076949564.db2.gz TYBYEDJXGAOFPI-UHFFFAOYSA-N -1 3 307.317 2.252 20 30 DEEDHM N#CC1(c2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)CCCC1 ZINC001592671650 1076949569 /nfs/dbraw/zinc/94/95/69/1076949569.db2.gz TYBYEDJXGAOFPI-UHFFFAOYSA-N -1 3 307.317 2.252 20 30 DEEDHM N#CCC1(CNc2c(-c3nnn[n-]3)cnn2-c2ccccc2)CC1 ZINC001592674515 1076950991 /nfs/dbraw/zinc/95/09/91/1076950991.db2.gz FBJWYRSDOZVHGR-UHFFFAOYSA-N -1 3 320.360 2.158 20 30 DEEDHM N#CCC1(CNc2c(-c3nn[n-]n3)cnn2-c2ccccc2)CC1 ZINC001592674515 1076950994 /nfs/dbraw/zinc/95/09/94/1076950994.db2.gz FBJWYRSDOZVHGR-UHFFFAOYSA-N -1 3 320.360 2.158 20 30 DEEDHM N#CCCCOc1cc(Br)ccc1-c1nnn[n-]1 ZINC001592676154 1076952444 /nfs/dbraw/zinc/95/24/44/1076952444.db2.gz BPGJWLOHMWAMAK-UHFFFAOYSA-N -1 3 308.139 2.312 20 30 DEEDHM N#CCCCOc1cc(Br)ccc1-c1nn[n-]n1 ZINC001592676154 1076952448 /nfs/dbraw/zinc/95/24/48/1076952448.db2.gz BPGJWLOHMWAMAK-UHFFFAOYSA-N -1 3 308.139 2.312 20 30 DEEDHM N#Cc1ccc(CNc2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])cc1 ZINC001592694230 1076953098 /nfs/dbraw/zinc/95/30/98/1076953098.db2.gz PDJXACIXXVKMDL-UHFFFAOYSA-N -1 3 321.300 2.259 20 30 DEEDHM N#Cc1ccc(CNc2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])cc1 ZINC001592694230 1076953101 /nfs/dbraw/zinc/95/31/01/1076953101.db2.gz PDJXACIXXVKMDL-UHFFFAOYSA-N -1 3 321.300 2.259 20 30 DEEDHM N#Cc1ccc2c(c1)N(C(=O)c1cscc1-c1nnn[n-]1)CC2 ZINC001592698348 1076954117 /nfs/dbraw/zinc/95/41/17/1076954117.db2.gz XXYBQFASLNEIMA-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM N#Cc1ccc2c(c1)N(C(=O)c1cscc1-c1nn[n-]n1)CC2 ZINC001592698348 1076954120 /nfs/dbraw/zinc/95/41/20/1076954120.db2.gz XXYBQFASLNEIMA-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2c(F)cccc2C1 ZINC001592699285 1076954908 /nfs/dbraw/zinc/95/49/08/1076954908.db2.gz VEXKHRYCBQGADZ-UHFFFAOYSA-N -1 3 320.331 2.440 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2c(F)cccc2C1 ZINC001592699285 1076954911 /nfs/dbraw/zinc/95/49/11/1076954911.db2.gz VEXKHRYCBQGADZ-UHFFFAOYSA-N -1 3 320.331 2.440 20 30 DEEDHM N#Cc1cccc2c1CCN2Cc1ccc(-c2nnn[n-]2)cc1 ZINC001592703075 1076955156 /nfs/dbraw/zinc/95/51/56/1076955156.db2.gz GSUUOJPMHINAFR-UHFFFAOYSA-N -1 3 302.341 2.301 20 30 DEEDHM N#Cc1cccc2c1CCN2Cc1ccc(-c2nn[n-]n2)cc1 ZINC001592703075 1076955160 /nfs/dbraw/zinc/95/51/60/1076955160.db2.gz GSUUOJPMHINAFR-UHFFFAOYSA-N -1 3 302.341 2.301 20 30 DEEDHM Cc1cc(CN2CCC(C#N)(C(=O)[O-])CC2)ccc1N(C)C ZINC001600192810 1077156482 /nfs/dbraw/zinc/15/64/82/1077156482.db2.gz UPPSAZFNSAEGRI-UHFFFAOYSA-N -1 3 301.390 2.251 20 30 DEEDHM O=C([O-])C[C@@]1(NCC#Cc2ccccc2Cl)CCCOC1 ZINC001601934396 1077478203 /nfs/dbraw/zinc/47/82/03/1077478203.db2.gz LUZNGHLLUMLDSQ-INIZCTEOSA-N -1 3 307.777 2.305 20 30 DEEDHM c1cc(-c2nnn[n-]2)ccc1N=NCCCC1CCOCC1 ZINC001609022263 1077743421 /nfs/dbraw/zinc/74/34/21/1077743421.db2.gz GWVBGXDTYMONED-UHFFFAOYSA-N -1 3 300.366 2.471 20 30 DEEDHM c1cc(-c2nn[n-]n2)ccc1N=NCCCC1CCOCC1 ZINC001609022263 1077743427 /nfs/dbraw/zinc/74/34/27/1077743427.db2.gz GWVBGXDTYMONED-UHFFFAOYSA-N -1 3 300.366 2.471 20 30 DEEDHM C=C(C)CN(CC)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001609051190 1077748829 /nfs/dbraw/zinc/74/88/29/1077748829.db2.gz QWXAVYOXROPFPO-UHFFFAOYSA-N -1 3 311.389 2.323 20 30 DEEDHM C=C(C)CN(CC)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001609051190 1077748833 /nfs/dbraw/zinc/74/88/33/1077748833.db2.gz QWXAVYOXROPFPO-UHFFFAOYSA-N -1 3 311.389 2.323 20 30 DEEDHM C=CC(C)(C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC001609052378 1077749861 /nfs/dbraw/zinc/74/98/61/1077749861.db2.gz ZQOZAGRSSKHVCH-UHFFFAOYSA-N -1 3 302.334 2.131 20 30 DEEDHM C=CC(C)(C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC001609052378 1077749867 /nfs/dbraw/zinc/74/98/67/1077749867.db2.gz ZQOZAGRSSKHVCH-UHFFFAOYSA-N -1 3 302.334 2.131 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCC(F)F ZINC001609056340 1077751309 /nfs/dbraw/zinc/75/13/09/1077751309.db2.gz DNFGKBJJUWBKFO-UHFFFAOYSA-N -1 3 321.331 2.427 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCC(F)F ZINC001609056340 1077751312 /nfs/dbraw/zinc/75/13/12/1077751312.db2.gz DNFGKBJJUWBKFO-UHFFFAOYSA-N -1 3 321.331 2.427 20 30 DEEDHM C=CCCO[C@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC001609055411 1077751540 /nfs/dbraw/zinc/75/15/40/1077751540.db2.gz ZGGUHJGXMYKEGF-SNVBAGLBSA-N -1 3 320.324 2.030 20 30 DEEDHM C=CCCO[C@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC001609055411 1077751545 /nfs/dbraw/zinc/75/15/45/1077751545.db2.gz ZGGUHJGXMYKEGF-SNVBAGLBSA-N -1 3 320.324 2.030 20 30 DEEDHM C#CCN1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001609158977 1077777836 /nfs/dbraw/zinc/77/78/36/1077777836.db2.gz PONGFFHKKZPYFR-UHFFFAOYSA-N -1 3 320.776 2.322 20 30 DEEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609182508 1077786164 /nfs/dbraw/zinc/78/61/64/1077786164.db2.gz IQHUBOSYQOFLMQ-CYBMUJFWSA-N -1 3 304.741 2.398 20 30 DEEDHM CC[C@](C)(C#N)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609182508 1077786169 /nfs/dbraw/zinc/78/61/69/1077786169.db2.gz IQHUBOSYQOFLMQ-CYBMUJFWSA-N -1 3 304.741 2.398 20 30 DEEDHM Cc1ccc(C(=O)N[C@](C)(C#N)CC(C)C)cc1-c1nnn[n-]1 ZINC001609418360 1077856083 /nfs/dbraw/zinc/85/60/83/1077856083.db2.gz GZCDXGSYOLOZSL-INIZCTEOSA-N -1 3 312.377 2.233 20 30 DEEDHM Cc1ccc(C(=O)N[C@](C)(C#N)CC(C)C)cc1-c1nn[n-]n1 ZINC001609418360 1077856088 /nfs/dbraw/zinc/85/60/88/1077856088.db2.gz GZCDXGSYOLOZSL-INIZCTEOSA-N -1 3 312.377 2.233 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccc2c(c1)COC2 ZINC001609499747 1077871031 /nfs/dbraw/zinc/87/10/31/1077871031.db2.gz HREQNIAWSXOBIF-UHFFFAOYSA-N -1 3 318.340 2.381 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccc2c(c1)COC2 ZINC001609499747 1077871033 /nfs/dbraw/zinc/87/10/33/1077871033.db2.gz HREQNIAWSXOBIF-UHFFFAOYSA-N -1 3 318.340 2.381 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1Oc1ccc2c[nH]nc2c1 ZINC001609499719 1077871114 /nfs/dbraw/zinc/87/11/14/1077871114.db2.gz GMLBLOHKCHAMSB-UHFFFAOYSA-N -1 3 303.285 2.407 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1Oc1ccc2c[nH]nc2c1 ZINC001609499719 1077871117 /nfs/dbraw/zinc/87/11/17/1077871117.db2.gz GMLBLOHKCHAMSB-UHFFFAOYSA-N -1 3 303.285 2.407 20 30 DEEDHM Cc1cc(NC(=O)NCc2c([O-])cccc2F)nn1CCC#N ZINC001660340999 1080311343 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C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001352093311 1151682106 /nfs/dbraw/zinc/68/21/06/1151682106.db2.gz IYDNGQIDCVXQBU-UWVGGRQHSA-N -1 3 321.816 2.385 20 30 DEEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1C[C@@H](C)C[C@H](C)C1 ZINC001352093311 1151682123 /nfs/dbraw/zinc/68/21/23/1151682123.db2.gz IYDNGQIDCVXQBU-UWVGGRQHSA-N -1 3 321.816 2.385 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001352807673 1151781580 /nfs/dbraw/zinc/78/15/80/1151781580.db2.gz QALJIQULHOSOAG-GUYCJALGSA-N -1 3 318.421 2.178 20 30 DEEDHM C=C(C)CCC(=O)NCC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001295864599 1139615048 /nfs/dbraw/zinc/61/50/48/1139615048.db2.gz SGKMGZYYBIGSNH-CYBMUJFWSA-N -1 3 304.390 2.373 20 30 DEEDHM N#Cc1ccc(NC(=S)Nc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001245875983 1140825349 /nfs/dbraw/zinc/82/53/49/1140825349.db2.gz KCQACGRBMUHVAT-UHFFFAOYSA-N -1 3 303.372 2.151 20 30 DEEDHM N#Cc1cccc(-c2noc(CNC(=O)c3ccccc3[O-])n2)c1 ZINC001248499557 1141801749 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REHHWCBMCFRPJM-UHFFFAOYSA-N -1 3 322.430 2.146 20 30 DEEDHM C=C(CCC(=O)[O-])C(=O)N[C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC001588623658 983728900 /nfs/dbraw/zinc/72/89/00/983728900.db2.gz UURFMFJRVLUDQI-ZBFHGGJFSA-N -1 3 316.401 2.187 20 30 DEEDHM C[C@@H](C#N)OCCN1CCC(Cc2ncc(C(=O)[O-])s2)CC1 ZINC001589331552 986187565 /nfs/dbraw/zinc/18/75/65/986187565.db2.gz IEVKPJXJFTZAPW-NSHDSACASA-N -1 3 323.418 2.024 20 30 DEEDHM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H](N)CCCCC#N)cc1 ZINC001589633861 987547689 /nfs/dbraw/zinc/54/76/89/987547689.db2.gz IUNWIMQVIMZSNP-CQSZACIVSA-N -1 3 317.389 2.399 20 30 DEEDHM C=CCCCN(CC)c1nnc(-c2c[n-]oc2=O)n1CCOC ZINC001523191388 1069583218 /nfs/dbraw/zinc/58/32/18/1069583218.db2.gz QFBHOMQHBGSCNH-UHFFFAOYSA-N -1 3 321.381 2.078 20 30 DEEDHM C#CC[C@@H](NCc1cc(F)ccc1Br)C(=O)[O-] ZINC001602694536 1069727700 /nfs/dbraw/zinc/72/77/00/1069727700.db2.gz NYUOHNNHVHYGNU-LLVKDONJSA-N -1 3 300.127 2.154 20 30 DEEDHM C#C[C@@H](C)N(C)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001602690715 1069724682 /nfs/dbraw/zinc/72/46/82/1069724682.db2.gz YTKHLLHOYYUZOD-SNVBAGLBSA-N -1 3 310.361 2.230 20 30 DEEDHM C#C[C@@H](C)N(C)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001602690715 1069724694 /nfs/dbraw/zinc/72/46/94/1069724694.db2.gz YTKHLLHOYYUZOD-SNVBAGLBSA-N -1 3 310.361 2.230 20 30 DEEDHM C#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC001602688088 1069724783 /nfs/dbraw/zinc/72/47/83/1069724783.db2.gz GYWOOZYYZCTTBH-MRXNPFEDSA-N -1 3 317.352 2.279 20 30 DEEDHM C#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC001602688088 1069724794 /nfs/dbraw/zinc/72/47/94/1069724794.db2.gz GYWOOZYYZCTTBH-MRXNPFEDSA-N -1 3 317.352 2.279 20 30 DEEDHM C=C(C)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(F)F ZINC001602762858 1069749784 /nfs/dbraw/zinc/74/97/84/1069749784.db2.gz LYIWLLGLKDRNPU-UHFFFAOYSA-N -1 3 324.291 2.166 20 30 DEEDHM C=C(C)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(F)F ZINC001602762858 1069749794 /nfs/dbraw/zinc/74/97/94/1069749794.db2.gz LYIWLLGLKDRNPU-UHFFFAOYSA-N -1 3 324.291 2.166 20 30 DEEDHM C=C[C@@H](C(=O)[O-])N(C)Cc1cc(OC)c(OC)cc1SC ZINC001602803444 1069758205 /nfs/dbraw/zinc/75/82/05/1069758205.db2.gz CLNMBGMDQCDMMR-NSHDSACASA-N -1 3 311.403 2.497 20 30 DEEDHM C=CC1(OC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602804186 1069759720 /nfs/dbraw/zinc/75/97/20/1069759720.db2.gz SYSDFOIWKANXOL-UHFFFAOYSA-N -1 3 316.386 2.362 20 30 DEEDHM C=CC1(OC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602804186 1069759727 /nfs/dbraw/zinc/75/97/27/1069759727.db2.gz SYSDFOIWKANXOL-UHFFFAOYSA-N -1 3 316.386 2.362 20 30 DEEDHM C=CCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001602833759 1069769236 /nfs/dbraw/zinc/76/92/36/1069769236.db2.gz ABFUIGOYLLNXLQ-UHFFFAOYSA-N -1 3 317.305 2.174 20 30 DEEDHM C=CCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001602833759 1069769246 /nfs/dbraw/zinc/76/92/46/1069769246.db2.gz ABFUIGOYLLNXLQ-UHFFFAOYSA-N -1 3 317.305 2.174 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cccnc1N ZINC001602859814 1069780337 /nfs/dbraw/zinc/78/03/37/1069780337.db2.gz LOSGTYAXYNAVSC-UHFFFAOYSA-N -1 3 321.388 2.032 20 30 DEEDHM C=CCOCCCC(=O)Nc1ccc(Cl)cc1-c1nnn[n-]1 ZINC001602872342 1069785302 /nfs/dbraw/zinc/78/53/02/1069785302.db2.gz YGZLZMYFZQCQEQ-UHFFFAOYSA-N -1 3 321.768 2.441 20 30 DEEDHM C=CCOCCCC(=O)Nc1ccc(Cl)cc1-c1nn[n-]n1 ZINC001602872342 1069785317 /nfs/dbraw/zinc/78/53/17/1069785317.db2.gz YGZLZMYFZQCQEQ-UHFFFAOYSA-N -1 3 321.768 2.441 20 30 DEEDHM CC(C)(C)N1CCN(Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC001603345710 1069952403 /nfs/dbraw/zinc/95/24/03/1069952403.db2.gz SMQPAXFSGJOTLH-UHFFFAOYSA-N -1 3 301.390 2.173 20 30 DEEDHM C=CCCCC(=O)NC[C@H](NC(=O)c1ccccc1[O-])C1CC1 ZINC001524513390 1069968449 /nfs/dbraw/zinc/96/84/49/1069968449.db2.gz QVSGLVVVHAJBAR-HNNXBMFYSA-N -1 3 316.401 2.373 20 30 DEEDHM C[C@@H](NCc1nc(-c2nnn[n-]2)cs1)c1ccc(C#N)cc1 ZINC001603671631 1070036045 /nfs/dbraw/zinc/03/60/45/1070036045.db2.gz GQLFCMRYLKLBTR-SECBINFHSA-N -1 3 311.374 2.046 20 30 DEEDHM C[C@@H](NCc1nc(-c2nn[n-]n2)cs1)c1ccc(C#N)cc1 ZINC001603671631 1070036052 /nfs/dbraw/zinc/03/60/52/1070036052.db2.gz GQLFCMRYLKLBTR-SECBINFHSA-N -1 3 311.374 2.046 20 30 DEEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CC2(CCCC2)O1 ZINC001603939772 1070153170 /nfs/dbraw/zinc/15/31/70/1070153170.db2.gz WOGLBHFDFCBEPX-GFCCVEGCSA-N -1 3 324.388 2.276 20 30 DEEDHM C[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CC2(CCCC2)O1 ZINC001603939772 1070153172 /nfs/dbraw/zinc/15/31/72/1070153172.db2.gz WOGLBHFDFCBEPX-GFCCVEGCSA-N -1 3 324.388 2.276 20 30 DEEDHM CC[C@H](CC#N)OC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001604014274 1070176331 /nfs/dbraw/zinc/17/63/31/1070176331.db2.gz SZEWHCCJEUWYPY-CYBMUJFWSA-N -1 3 311.345 2.134 20 30 DEEDHM CC[C@H](CC#N)OC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001604014274 1070176337 /nfs/dbraw/zinc/17/63/37/1070176337.db2.gz SZEWHCCJEUWYPY-CYBMUJFWSA-N -1 3 311.345 2.134 20 30 DEEDHM CC[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CCS1 ZINC001604112206 1070227641 /nfs/dbraw/zinc/22/76/41/1070227641.db2.gz SIMNEDDFTXUNAI-LLVKDONJSA-N -1 3 300.391 2.070 20 30 DEEDHM CC[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CCS1 ZINC001604112206 1070227643 /nfs/dbraw/zinc/22/76/43/1070227643.db2.gz SIMNEDDFTXUNAI-LLVKDONJSA-N -1 3 300.391 2.070 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)Nc1cccc(C#N)c1C ZINC001605553937 1070763218 /nfs/dbraw/zinc/76/32/18/1070763218.db2.gz ZOZMJHDHFLJDKK-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)Nc1cccc(C#N)c1C ZINC001605553937 1070763234 /nfs/dbraw/zinc/76/32/34/1070763234.db2.gz ZOZMJHDHFLJDKK-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(C=CC(=O)c2cn(C(C)C)nn2)ccc1-c1nnn[n-]1 ZINC001605652613 1070800882 /nfs/dbraw/zinc/80/08/82/1070800882.db2.gz OCTDSUIGRCFEFK-FNORWQNLSA-N -1 3 323.360 2.244 20 30 DEEDHM Cc1cc(C=CC(=O)c2cn(C(C)C)nn2)ccc1-c1nn[n-]n1 ZINC001605652613 1070800899 /nfs/dbraw/zinc/80/08/99/1070800899.db2.gz OCTDSUIGRCFEFK-FNORWQNLSA-N -1 3 323.360 2.244 20 30 DEEDHM Cc1nn(C)c(C)c1C(=O)C=Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001605653097 1070798727 /nfs/dbraw/zinc/79/87/27/1070798727.db2.gz 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ZINC001606343699 1071129361 /nfs/dbraw/zinc/12/93/61/1071129361.db2.gz QTVPAKTUEWUENE-UHFFFAOYSA-N -1 3 313.321 2.271 20 30 DEEDHM N#CC1(CNc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCCC1 ZINC001606343699 1071129366 /nfs/dbraw/zinc/12/93/66/1071129366.db2.gz QTVPAKTUEWUENE-UHFFFAOYSA-N -1 3 313.321 2.271 20 30 DEEDHM C#Cc1ccccc1CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001454406638 1057501092 /nfs/dbraw/zinc/50/10/92/1057501092.db2.gz HHHHTLPIBSYQRJ-UHFFFAOYSA-N -1 3 303.325 2.029 20 30 DEEDHM C#Cc1ccccc1CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001454406638 1057501099 /nfs/dbraw/zinc/50/10/99/1057501099.db2.gz HHHHTLPIBSYQRJ-UHFFFAOYSA-N -1 3 303.325 2.029 20 30 DEEDHM N#Cc1cccc(NCc2nc(C(F)(F)F)n[n-]2)c1[N+](=O)[O-] ZINC001458340132 1058057398 /nfs/dbraw/zinc/05/73/98/1058057398.db2.gz IXZMGTZLFYPECX-UHFFFAOYSA-N -1 3 312.211 2.215 20 30 DEEDHM C#Cc1cccc(N(CC)C(=O)c2ccc3[n-]c(=O)nc-3[nH]2)c1 ZINC001615693256 1078127858 /nfs/dbraw/zinc/12/78/58/1078127858.db2.gz SAPMBVWFHFSOHT-UHFFFAOYSA-N -1 3 306.325 2.312 20 30 DEEDHM CCOC(=O)c1cccc2[n-]c(NC(=O)c3ccc(C#N)o3)nc21 ZINC001627540729 1078278162 /nfs/dbraw/zinc/27/81/62/1078278162.db2.gz QDUQUKNMUCKJKE-UHFFFAOYSA-N -1 3 324.296 2.457 20 30 DEEDHM CCOC(=O)c1cccc2nc(NC(=O)c3ccc(C#N)o3)[n-]c21 ZINC001627540729 1078278165 /nfs/dbraw/zinc/27/81/65/1078278165.db2.gz QDUQUKNMUCKJKE-UHFFFAOYSA-N -1 3 324.296 2.457 20 30 DEEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc2cc(Cl)ccc2s1 ZINC001637465256 1078521111 /nfs/dbraw/zinc/52/11/11/1078521111.db2.gz OTGLRZZYBOTRGV-SECBINFHSA-N -1 3 310.762 2.275 20 30 DEEDHM CC(=O)NCc1cccc(C(=O)N([O-])Cc2ccc(F)cc2)c1 ZINC001639078696 1078593475 /nfs/dbraw/zinc/59/34/75/1078593475.db2.gz QAUSVANFXMRRHY-UHFFFAOYSA-N -1 3 316.332 2.493 20 30 DEEDHM Cc1cc(N2CC[C@@H](c3cc(=O)[nH][n-]3)C2)c(C#N)cc1[N+](=O)[O-] ZINC001642884954 1078776888 /nfs/dbraw/zinc/77/68/88/1078776888.db2.gz ROZMBGFFFMTNPS-SNVBAGLBSA-N -1 3 313.317 2.198 20 30 DEEDHM C=CCn1c(-c2c[n-]oc2=O)nnc1N1CC[C@H](C(C)C)C1 ZINC001520403726 1069132983 /nfs/dbraw/zinc/13/29/83/1069132983.db2.gz GWESKQDIVAQOIP-NSHDSACASA-N -1 3 303.366 2.307 20 30 DEEDHM C#C[C@@H](NC(=O)c1ccc(OCCCC)cc1[O-])[C@H]1CCCO1 ZINC001558968563 1075109984 /nfs/dbraw/zinc/10/99/84/1075109984.db2.gz VALKLZKWGFFIDL-NVXWUHKLSA-N -1 3 317.385 2.482 20 30 DEEDHM Cc1nsc(NCCc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC001581719527 1076091250 /nfs/dbraw/zinc/09/12/50/1076091250.db2.gz PSEBDSOQVJGDJE-UHFFFAOYSA-N -1 3 311.374 2.158 20 30 DEEDHM N#Cc1ccc(NC(=O)c2ccc(F)s2)cc1-c1nnn[n-]1 ZINC001581872998 1076105937 /nfs/dbraw/zinc/10/59/37/1076105937.db2.gz PGKVOKPZJYQBEF-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1ccc(NC(=O)c2ccc(F)s2)cc1-c1nn[n-]n1 ZINC001581872998 1076105942 /nfs/dbraw/zinc/10/59/42/1076105942.db2.gz PGKVOKPZJYQBEF-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@H](c2ccncc2)C1 ZINC001581874201 1076106890 /nfs/dbraw/zinc/10/68/90/1076106890.db2.gz IBJJTJCOUZXSGI-AWEZNQCLSA-N -1 3 317.356 2.127 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@H](c2ccncc2)C1 ZINC001581874201 1076106893 /nfs/dbraw/zinc/10/68/93/1076106893.db2.gz IBJJTJCOUZXSGI-AWEZNQCLSA-N -1 3 317.356 2.127 20 30 DEEDHM N#Cc1csc(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)c1 ZINC001581878753 1076107428 /nfs/dbraw/zinc/10/74/28/1076107428.db2.gz ZXQWOXYHSCYAPT-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1csc(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)c1 ZINC001581878753 1076107431 /nfs/dbraw/zinc/10/74/31/1076107431.db2.gz ZXQWOXYHSCYAPT-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM C=C(C)C(C)(C)C(=O)NC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001584878326 1076325988 /nfs/dbraw/zinc/32/59/88/1076325988.db2.gz JZCSHFYAWXQLMU-UHFFFAOYSA-N -1 3 316.401 2.373 20 30 DEEDHM Cc1nsc([N-]C(=O)c2nc(C)n(-c3ccccc3)n2)c1C#N ZINC001585892301 1076376896 /nfs/dbraw/zinc/37/68/96/1076376896.db2.gz GDCQAJZQPJKAQH-UHFFFAOYSA-N -1 3 324.369 2.465 20 30 DEEDHM Cn1cc(-c2nsc([N-]C(=O)c3csc(C#N)c3)n2)cn1 ZINC001586036332 1076386091 /nfs/dbraw/zinc/38/60/91/1076386091.db2.gz 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ZINC001588334137 1076441170 /nfs/dbraw/zinc/44/11/70/1076441170.db2.gz PEDCSOVCLSPYKW-GFCCVEGCSA-N -1 3 310.386 2.177 20 30 DEEDHM C#CCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1NC1CC1 ZINC001588340773 1076442651 /nfs/dbraw/zinc/44/26/51/1076442651.db2.gz FHOUZZVJFQWXKH-UHFFFAOYSA-N -1 3 310.361 2.183 20 30 DEEDHM C#CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1)C1CC1 ZINC001588348432 1076443405 /nfs/dbraw/zinc/44/34/05/1076443405.db2.gz VVXICFJPYSKLCP-UHFFFAOYSA-N -1 3 322.372 2.374 20 30 DEEDHM C#CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1)C1CC1 ZINC001588348432 1076443409 /nfs/dbraw/zinc/44/34/09/1076443409.db2.gz VVXICFJPYSKLCP-UHFFFAOYSA-N -1 3 322.372 2.374 20 30 DEEDHM C#Cc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC001588375176 1076444462 /nfs/dbraw/zinc/44/44/62/1076444462.db2.gz IGMRHMTZBSTETL-KHPPLWFESA-N -1 3 315.336 2.500 20 30 DEEDHM C#Cc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC001588375176 1076444465 /nfs/dbraw/zinc/44/44/65/1076444465.db2.gz IGMRHMTZBSTETL-KHPPLWFESA-N -1 3 315.336 2.500 20 30 DEEDHM C#Cc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2C)cc1 ZINC001588373150 1076444598 /nfs/dbraw/zinc/44/45/98/1076444598.db2.gz BTMFMSKFGYWIJG-UHFFFAOYSA-N -1 3 303.325 2.409 20 30 DEEDHM C#Cc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2C)cc1 ZINC001588373150 1076444602 /nfs/dbraw/zinc/44/46/02/1076444602.db2.gz BTMFMSKFGYWIJG-UHFFFAOYSA-N -1 3 303.325 2.409 20 30 DEEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCO2 ZINC001588381936 1076445038 /nfs/dbraw/zinc/44/50/38/1076445038.db2.gz XNAILCRTTIYNPM-UHFFFAOYSA-N -1 3 306.329 2.248 20 30 DEEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCO2 ZINC001588381936 1076445045 /nfs/dbraw/zinc/44/50/45/1076445045.db2.gz XNAILCRTTIYNPM-UHFFFAOYSA-N -1 3 306.329 2.248 20 30 DEEDHM c1ccc(-c2nnn[n-]2)c(CN=Nc2nccnc2C2CCC2)c1 ZINC001588384288 1076445384 /nfs/dbraw/zinc/44/53/84/1076445384.db2.gz CRDVYRNMFVKDEG-UHFFFAOYSA-N -1 3 320.360 2.370 20 30 DEEDHM c1ccc(-c2nn[n-]n2)c(CN=Nc2nccnc2C2CCC2)c1 ZINC001588384288 1076445385 /nfs/dbraw/zinc/44/53/85/1076445385.db2.gz CRDVYRNMFVKDEG-UHFFFAOYSA-N -1 3 320.360 2.370 20 30 DEEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588426218 1076447685 /nfs/dbraw/zinc/44/76/85/1076447685.db2.gz QJZYASYNPHBFHZ-UHFFFAOYSA-N -1 3 322.372 2.413 20 30 DEEDHM C=C(C)CN(Cc1ccccc1)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588426218 1076447686 /nfs/dbraw/zinc/44/76/86/1076447686.db2.gz QJZYASYNPHBFHZ-UHFFFAOYSA-N -1 3 322.372 2.413 20 30 DEEDHM C=C(CC)CNC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588442283 1076448271 /nfs/dbraw/zinc/44/82/71/1076448271.db2.gz MGDPTXNLKQFWEX-LLVKDONJSA-N -1 3 300.366 2.193 20 30 DEEDHM C=C(CC)CNC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588442283 1076448274 /nfs/dbraw/zinc/44/82/74/1076448274.db2.gz MGDPTXNLKQFWEX-LLVKDONJSA-N -1 3 300.366 2.193 20 30 DEEDHM C=C(CC)COC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588442825 1076448278 /nfs/dbraw/zinc/44/82/78/1076448278.db2.gz RPYPMPCQCUZUCW-CQSZACIVSA-N -1 3 311.345 2.058 20 30 DEEDHM C=C(CC)COC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 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C=C[C@](C)(CC)C(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588493432 1076450114 /nfs/dbraw/zinc/45/01/14/1076450114.db2.gz FWQYCIDJRYEOPR-MRXNPFEDSA-N -1 3 315.377 2.094 20 30 DEEDHM C=CC(C)(C)CCCNC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588488296 1076450319 /nfs/dbraw/zinc/45/03/19/1076450319.db2.gz ZHPNYQKTWCTOSR-UHFFFAOYSA-N -1 3 314.393 2.292 20 30 DEEDHM C=CC(C)(C)CCCNC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588488296 1076450324 /nfs/dbraw/zinc/45/03/24/1076450324.db2.gz ZHPNYQKTWCTOSR-UHFFFAOYSA-N -1 3 314.393 2.292 20 30 DEEDHM C=CC1CCN(C(=O)NCc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001588527528 1076451398 /nfs/dbraw/zinc/45/13/98/1076451398.db2.gz NGOGWTIXMBBPPK-UHFFFAOYSA-N -1 3 318.406 2.036 20 30 DEEDHM C=CCC(C)(C)COC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588539292 1076452655 /nfs/dbraw/zinc/45/26/55/1076452655.db2.gz FSEOQKYNHDQDOH-UHFFFAOYSA-N -1 3 316.361 2.391 20 30 DEEDHM C=CCC(C)(C)COC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588539292 1076452656 /nfs/dbraw/zinc/45/26/56/1076452656.db2.gz 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/nfs/dbraw/zinc/45/41/61/1076454161.db2.gz MTYDHBNRRKXCMK-UHFFFAOYSA-N -1 3 312.251 2.260 20 30 DEEDHM C=CCC(F)(F)C(=O)Nc1ccc(-c2nnn[n-]2)cc1C(C)=O ZINC001588545744 1076454269 /nfs/dbraw/zinc/45/42/69/1076454269.db2.gz MTAQDOOOMMOSLL-UHFFFAOYSA-N -1 3 321.287 2.219 20 30 DEEDHM C=CCC(F)(F)C(=O)Nc1ccc(-c2nn[n-]n2)cc1C(C)=O ZINC001588545744 1076454273 /nfs/dbraw/zinc/45/42/73/1076454273.db2.gz MTAQDOOOMMOSLL-UHFFFAOYSA-N -1 3 321.287 2.219 20 30 DEEDHM C=CC[C@H]1CCN1C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588563955 1076454747 /nfs/dbraw/zinc/45/47/47/1076454747.db2.gz GMHAHNCHPBISLY-AWEZNQCLSA-N -1 3 309.373 2.075 20 30 DEEDHM C=CC[C@H]1CCN1C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588563955 1076454750 /nfs/dbraw/zinc/45/47/50/1076454750.db2.gz GMHAHNCHPBISLY-AWEZNQCLSA-N -1 3 309.373 2.075 20 30 DEEDHM C=CCCC(C)(C)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588577968 1076454978 /nfs/dbraw/zinc/45/49/78/1076454978.db2.gz SLKNIFQULFWGGC-UHFFFAOYSA-N -1 3 314.393 2.411 20 30 DEEDHM C=CCCC(C)(C)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588577968 1076454983 /nfs/dbraw/zinc/45/49/83/1076454983.db2.gz SLKNIFQULFWGGC-UHFFFAOYSA-N -1 3 314.393 2.411 20 30 DEEDHM C=CCCCCCCNC(=O)c1cnccc1-c1nnn[n-]1 ZINC001588593887 1076456081 /nfs/dbraw/zinc/45/60/81/1076456081.db2.gz KLCLLRWUTUIFDY-UHFFFAOYSA-N -1 3 300.366 2.128 20 30 DEEDHM C=CCCCCCCNC(=O)c1cnccc1-c1nn[n-]n1 ZINC001588593887 1076456083 /nfs/dbraw/zinc/45/60/83/1076456083.db2.gz KLCLLRWUTUIFDY-UHFFFAOYSA-N -1 3 300.366 2.128 20 30 DEEDHM C=CCCCCNC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001588595915 1076456292 /nfs/dbraw/zinc/45/62/92/1076456292.db2.gz AAABDJTVEOGPFN-UHFFFAOYSA-N -1 3 320.422 2.426 20 30 DEEDHM C=CCCCCNC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001588595915 1076456295 /nfs/dbraw/zinc/45/62/95/1076456295.db2.gz AAABDJTVEOGPFN-UHFFFAOYSA-N -1 3 320.422 2.426 20 30 DEEDHM C=CCN(CCC#N)c1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001588632331 1076458562 /nfs/dbraw/zinc/45/85/62/1076458562.db2.gz PKFKIGIDNPFKRO-UHFFFAOYSA-N -1 3 311.393 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/nfs/dbraw/zinc/46/67/44/1076466744.db2.gz ABAHLEBDXYTIBD-UHFFFAOYSA-N -1 3 324.344 2.092 20 30 DEEDHM CC(C)(C)[C@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589085756 1076474649 /nfs/dbraw/zinc/47/46/49/1076474649.db2.gz HBKWOJRBRWJUIB-IBSYWUHOSA-N -1 3 324.388 2.324 20 30 DEEDHM CC(C)(C)[C@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589085756 1076474650 /nfs/dbraw/zinc/47/46/50/1076474650.db2.gz HBKWOJRBRWJUIB-IBSYWUHOSA-N -1 3 324.388 2.324 20 30 DEEDHM CC(C)[C@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589419349 1076488801 /nfs/dbraw/zinc/48/88/01/1076488801.db2.gz OBOQVGNFXFZNCZ-AWEZNQCLSA-N -1 3 318.768 2.188 20 30 DEEDHM CC(C)[C@](C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589419349 1076488802 /nfs/dbraw/zinc/48/88/02/1076488802.db2.gz OBOQVGNFXFZNCZ-AWEZNQCLSA-N -1 3 318.768 2.188 20 30 DEEDHM CC(C)C[C@@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589542245 1076497716 /nfs/dbraw/zinc/49/77/16/1076497716.db2.gz VMBCXYFVIMADHI-IJDCCNJMSA-N -1 3 324.388 2.324 20 30 DEEDHM CC(C)C[C@@](C)(C#N)NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589542245 1076497717 /nfs/dbraw/zinc/49/77/17/1076497717.db2.gz VMBCXYFVIMADHI-IJDCCNJMSA-N -1 3 324.388 2.324 20 30 DEEDHM C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCCC#N ZINC001589894951 1076526129 /nfs/dbraw/zinc/52/61/29/1076526129.db2.gz OGWYRCKZUIMKIQ-GFCCVEGCSA-N -1 3 313.361 2.282 20 30 DEEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCCC#N ZINC001589894951 1076526130 /nfs/dbraw/zinc/52/61/30/1076526130.db2.gz OGWYRCKZUIMKIQ-GFCCVEGCSA-N -1 3 313.361 2.282 20 30 DEEDHM C[C@@H](OC(=O)c1ccnc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590015101 1076548068 /nfs/dbraw/zinc/54/80/68/1076548068.db2.gz WKINKCOEESLSDI-SNVBAGLBSA-N -1 3 320.312 2.051 20 30 DEEDHM C[C@@H](OC(=O)c1ccnc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590015101 1076548073 /nfs/dbraw/zinc/54/80/73/1076548073.db2.gz WKINKCOEESLSDI-SNVBAGLBSA-N -1 3 320.312 2.051 20 30 DEEDHM CCCCCCCNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590592413 1076657318 /nfs/dbraw/zinc/65/73/18/1076657318.db2.gz QPICBSMCCNDCHV-UHFFFAOYSA-N -1 3 301.394 2.496 20 30 DEEDHM CCCCCCCNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590592413 1076657321 /nfs/dbraw/zinc/65/73/21/1076657321.db2.gz QPICBSMCCNDCHV-UHFFFAOYSA-N -1 3 301.394 2.496 20 30 DEEDHM CCN(C[C@@H](C)C#N)C(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001590682838 1076667695 /nfs/dbraw/zinc/66/76/95/1076667695.db2.gz RVUXPMYLIMQWRE-JTQLQIEISA-N -1 3 312.377 2.105 20 30 DEEDHM CCN(C[C@@H](C)C#N)C(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001590682838 1076667699 /nfs/dbraw/zinc/66/76/99/1076667699.db2.gz RVUXPMYLIMQWRE-JTQLQIEISA-N -1 3 312.377 2.105 20 30 DEEDHM CN(Cc1cn2ccccc2c1-c1nnn[n-]1)CC(C)(C)C#N ZINC001591150648 1076715138 /nfs/dbraw/zinc/71/51/38/1076715138.db2.gz FVKUYXSYAMXULH-UHFFFAOYSA-N -1 3 309.377 2.101 20 30 DEEDHM COc1ccc(C=NOCCC(F)(F)F)cc1-c1nnn[n-]1 ZINC001591582336 1076761067 /nfs/dbraw/zinc/76/10/67/1076761067.db2.gz LGUDSMDGPZQNNI-UHFFFAOYSA-N -1 3 315.255 2.178 20 30 DEEDHM COc1ccc(C=NOCCC(F)(F)F)cc1-c1nn[n-]n1 ZINC001591582336 1076761069 /nfs/dbraw/zinc/76/10/69/1076761069.db2.gz LGUDSMDGPZQNNI-UHFFFAOYSA-N -1 3 315.255 2.178 20 30 DEEDHM COc1ccc(C=CC(=O)c2cncc(C)c2)cc1-c1nnn[n-]1 ZINC001591582616 1076761304 /nfs/dbraw/zinc/76/13/04/1076761304.db2.gz FMEJASKKLFRPLJ-HWKANZROSA-N -1 3 321.340 2.475 20 30 DEEDHM COc1ccc(C=CC(=O)c2cncc(C)c2)cc1-c1nn[n-]n1 ZINC001591582616 1076761305 /nfs/dbraw/zinc/76/13/05/1076761305.db2.gz FMEJASKKLFRPLJ-HWKANZROSA-N -1 3 321.340 2.475 20 30 DEEDHM COc1cccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c1OC ZINC001591635031 1076767642 /nfs/dbraw/zinc/76/76/42/1076767642.db2.gz PFNAEEXDPKGXRZ-UHFFFAOYSA-N -1 3 324.344 2.330 20 30 DEEDHM Cc1cc(C(=O)N(CCC#N)C(C)C)cc(C)c1-c1nnn[n-]1 ZINC001591908781 1076807558 /nfs/dbraw/zinc/80/75/58/1076807558.db2.gz LDCPMLMJISKDED-UHFFFAOYSA-N -1 3 312.377 2.248 20 30 DEEDHM Cc1cc(C(=O)N(CCC#N)C(C)C)cc(C)c1-c1nn[n-]n1 ZINC001591908781 1076807563 /nfs/dbraw/zinc/80/75/63/1076807563.db2.gz LDCPMLMJISKDED-UHFFFAOYSA-N -1 3 312.377 2.248 20 30 DEEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCC3(C#N)CC3)c2c1 ZINC001591950061 1076813213 /nfs/dbraw/zinc/81/32/13/1076813213.db2.gz MYHDZPBRRNJGIP-UHFFFAOYSA-N -1 3 319.372 2.169 20 30 DEEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCC3(C#N)CC3)c2c1 ZINC001591950061 1076813220 /nfs/dbraw/zinc/81/32/20/1076813220.db2.gz MYHDZPBRRNJGIP-UHFFFAOYSA-N -1 3 319.372 2.169 20 30 DEEDHM Cc1cc(C=C2CCc3nn(C)cc3C2=O)ccc1-c1nnn[n-]1 ZINC001591959599 1076816351 /nfs/dbraw/zinc/81/63/51/1076816351.db2.gz SJCHZXIAIGWRKX-WQLSENKSSA-N -1 3 320.356 2.121 20 30 DEEDHM Cc1cc(C=C2CCc3nn(C)cc3C2=O)ccc1-c1nn[n-]n1 ZINC001591959599 1076816357 /nfs/dbraw/zinc/81/63/57/1076816357.db2.gz SJCHZXIAIGWRKX-WQLSENKSSA-N -1 3 320.356 2.121 20 30 DEEDHM Cc1cc(Oc2cc(C#N)cnn2)c(C)c(C)c1-c1nn[n-]n1 ZINC001592062652 1076841189 /nfs/dbraw/zinc/84/11/89/1076841189.db2.gz HVENCBGNJYKDSH-UHFFFAOYSA-N -1 3 307.317 2.246 20 30 DEEDHM Cc1ccc(CCNc2c(C#N)cccc2-c2nnn[n-]2)cn1 ZINC001592151439 1076861249 /nfs/dbraw/zinc/86/12/49/1076861249.db2.gz QYDOGTMHUGABLS-UHFFFAOYSA-N -1 3 305.345 2.096 20 30 DEEDHM Cc1ccc(CCNc2c(C#N)cccc2-c2nn[n-]n2)cn1 ZINC001592151439 1076861257 /nfs/dbraw/zinc/86/12/57/1076861257.db2.gz QYDOGTMHUGABLS-UHFFFAOYSA-N -1 3 305.345 2.096 20 30 DEEDHM Cl/C=C\CON=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001592523754 1076923817 /nfs/dbraw/zinc/92/38/17/1076923817.db2.gz XTPVRFAASCKQDE-LNKBXXNASA-N -1 3 304.741 2.071 20 30 DEEDHM Cl/C=C\CON=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001592523754 1076923821 /nfs/dbraw/zinc/92/38/21/1076923821.db2.gz XTPVRFAASCKQDE-LNKBXXNASA-N -1 3 304.741 2.071 20 30 DEEDHM Cn1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC001592580105 1076930374 /nfs/dbraw/zinc/93/03/74/1076930374.db2.gz NIDLCXNAUDTERU-HYXAFXHYSA-N -1 3 314.736 2.150 20 30 DEEDHM Cn1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC001592580105 1076930376 /nfs/dbraw/zinc/93/03/76/1076930376.db2.gz NIDLCXNAUDTERU-HYXAFXHYSA-N -1 3 314.736 2.150 20 30 DEEDHM N#CC1(CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001592666715 1076947821 /nfs/dbraw/zinc/94/78/21/1076947821.db2.gz JSYRPTXCDZPONX-UHFFFAOYSA-N -1 3 311.349 2.064 20 30 DEEDHM N#CC1(CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001592666715 1076947825 /nfs/dbraw/zinc/94/78/25/1076947825.db2.gz JSYRPTXCDZPONX-UHFFFAOYSA-N -1 3 311.349 2.064 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC[C@H]1CCCC[C@H]1O ZINC001592699770 1076955733 /nfs/dbraw/zinc/95/57/33/1076955733.db2.gz LTHWFKLCAWPLGM-BXUZGUMPSA-N -1 3 312.377 2.091 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC[C@H]1CCCC[C@H]1O ZINC001592699770 1076955734 /nfs/dbraw/zinc/95/57/34/1076955734.db2.gz LTHWFKLCAWPLGM-BXUZGUMPSA-N -1 3 312.377 2.091 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC[C@@H]1CCCC[C@@H]1O ZINC001592699771 1076955862 /nfs/dbraw/zinc/95/58/62/1076955862.db2.gz LTHWFKLCAWPLGM-FZMZJTMJSA-N -1 3 312.377 2.091 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC[C@@H]1CCCC[C@@H]1O ZINC001592699771 1076955864 /nfs/dbraw/zinc/95/58/64/1076955864.db2.gz LTHWFKLCAWPLGM-FZMZJTMJSA-N -1 3 312.377 2.091 20 30 DEEDHM N#Cc1c(CN2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cccc1C(=O)[O-] ZINC001601081397 1077333409 /nfs/dbraw/zinc/33/34/09/1077333409.db2.gz GDPFVWNSDWTIHD-OIISXLGYSA-N -1 3 314.385 2.382 20 30 DEEDHM C#CCC(CC#C)C(=O)N(C)[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609019926 1077742499 /nfs/dbraw/zinc/74/24/99/1077742499.db2.gz LMLWAMQOEKMMHW-ZDUSSCGKSA-N -1 3 321.384 2.049 20 30 DEEDHM C#CCC(CC#C)C(=O)N(C)[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609019926 1077742502 /nfs/dbraw/zinc/74/25/02/1077742502.db2.gz LMLWAMQOEKMMHW-ZDUSSCGKSA-N -1 3 321.384 2.049 20 30 DEEDHM C=CCCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nnn[n-]2)c1 ZINC001609054589 1077749901 /nfs/dbraw/zinc/74/99/01/1077749901.db2.gz BPODOHBWSOLBRG-LSDHHAIUSA-N -1 3 311.389 2.395 20 30 DEEDHM C=CCCCN(C)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001609054589 1077749908 /nfs/dbraw/zinc/74/99/08/1077749908.db2.gz BPODOHBWSOLBRG-LSDHHAIUSA-N -1 3 311.389 2.395 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609052307 1077750024 /nfs/dbraw/zinc/75/00/24/1077750024.db2.gz XBZFKPIJZFCXCC-INIZCTEOSA-N -1 3 314.345 2.195 20 30 DEEDHM C=C[C@@](C)(CC)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609052307 1077750027 /nfs/dbraw/zinc/75/00/27/1077750027.db2.gz XBZFKPIJZFCXCC-INIZCTEOSA-N -1 3 314.345 2.195 20 30 DEEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001609052218 1077750186 /nfs/dbraw/zinc/75/01/86/1077750186.db2.gz RMHLPHQVSUFCTE-INIZCTEOSA-N -1 3 315.377 2.342 20 30 DEEDHM C=C[C@@](C)(CCOC)C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001609052218 1077750188 /nfs/dbraw/zinc/75/01/88/1077750188.db2.gz RMHLPHQVSUFCTE-INIZCTEOSA-N -1 3 315.377 2.342 20 30 DEEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609060814 1077752284 /nfs/dbraw/zinc/75/22/84/1077752284.db2.gz FRQSESPWRJWXQU-AWEZNQCLSA-N -1 3 314.393 2.138 20 30 DEEDHM CC(=NN[C@H]1CCOC(C)(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609060814 1077752288 /nfs/dbraw/zinc/75/22/88/1077752288.db2.gz FRQSESPWRJWXQU-AWEZNQCLSA-N -1 3 314.393 2.138 20 30 DEEDHM CC(C)(C)C#CC(=O)OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC001609073359 1077753086 /nfs/dbraw/zinc/75/30/86/1077753086.db2.gz MGJAVGMBSDHFCA-UHFFFAOYSA-N -1 3 323.356 2.212 20 30 DEEDHM CC(C)(C)C#CC(=O)OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC001609073359 1077753091 /nfs/dbraw/zinc/75/30/91/1077753091.db2.gz MGJAVGMBSDHFCA-UHFFFAOYSA-N -1 3 323.356 2.212 20 30 DEEDHM C[C@H](OC(=O)C1(C#N)CC(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609155962 1077776171 /nfs/dbraw/zinc/77/61/71/1077776171.db2.gz YJINDTWTBZKVSK-CSJGVYOVSA-N -1 3 311.345 2.411 20 30 DEEDHM C[C@H](OC(=O)C1(C#N)CC(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609155962 1077776174 /nfs/dbraw/zinc/77/61/74/1077776174.db2.gz YJINDTWTBZKVSK-CSJGVYOVSA-N -1 3 311.345 2.411 20 30 DEEDHM CCCCCCCCC(=O)OCc1ncc(-c2nnn[n-]2)cn1 ZINC001609208924 1077800553 /nfs/dbraw/zinc/80/05/53/1077800553.db2.gz BAODXXLILYOWLL-UHFFFAOYSA-N -1 3 318.381 2.451 20 30 DEEDHM CCCCCCCCC(=O)OCc1ncc(-c2nn[n-]n2)cn1 ZINC001609208924 1077800560 /nfs/dbraw/zinc/80/05/60/1077800560.db2.gz BAODXXLILYOWLL-UHFFFAOYSA-N -1 3 318.381 2.451 20 30 DEEDHM CCc1nocc1C=C1CCc2cc(-c3nnn[n-]3)cnc2C1=O ZINC001609256461 1077817680 /nfs/dbraw/zinc/81/76/80/1077817680.db2.gz LTASOQBVKJZFCZ-POHAHGRESA-N -1 3 322.328 2.025 20 30 DEEDHM CCc1nocc1C=C1CCc2cc(-c3nn[n-]n3)cnc2C1=O ZINC001609256461 1077817688 /nfs/dbraw/zinc/81/76/88/1077817688.db2.gz LTASOQBVKJZFCZ-POHAHGRESA-N -1 3 322.328 2.025 20 30 DEEDHM COC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nnn[n-]2)o1 ZINC001609302780 1077827591 /nfs/dbraw/zinc/82/75/91/1077827591.db2.gz HFEFUAZZAQUTCK-VURMDHGXSA-N -1 3 324.296 2.142 20 30 DEEDHM COC(=O)c1ccc(C=CC(=O)c2ccccc2-c2nn[n-]n2)o1 ZINC001609302780 1077827599 /nfs/dbraw/zinc/82/75/99/1077827599.db2.gz HFEFUAZZAQUTCK-VURMDHGXSA-N -1 3 324.296 2.142 20 30 DEEDHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@H]2CC[C@@H](C#N)C2)n1 ZINC001609449372 1077862040 /nfs/dbraw/zinc/86/20/40/1077862040.db2.gz 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C=CC[C@@H]1N(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCCC1(C)C ZINC001588563793 1076454677 /nfs/dbraw/zinc/45/46/77/1076454677.db2.gz BGQWZGMUBUGURR-ZDUSSCGKSA-N -1 3 314.393 2.402 20 30 DEEDHM C=CC[C@@H]1N(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCCC1(C)C ZINC001588563793 1076454681 /nfs/dbraw/zinc/45/46/81/1076454681.db2.gz BGQWZGMUBUGURR-ZDUSSCGKSA-N -1 3 314.393 2.402 20 30 DEEDHM C=CC[C@@H]1CCN1C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588564421 1076454855 /nfs/dbraw/zinc/45/48/55/1076454855.db2.gz NENUJEFHJSBIIM-CQSZACIVSA-N -1 3 309.373 2.075 20 30 DEEDHM C=CC[C@@H]1CCN1C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588564421 1076454857 /nfs/dbraw/zinc/45/48/57/1076454857.db2.gz NENUJEFHJSBIIM-CQSZACIVSA-N -1 3 309.373 2.075 20 30 DEEDHM C=CCCC(C)(C)NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588577984 1076454885 /nfs/dbraw/zinc/45/48/85/1076454885.db2.gz TUDLQPNYIVMTBR-UHFFFAOYSA-N -1 3 315.377 2.350 20 30 DEEDHM C=CCCC(C)(C)NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588577984 1076454887 /nfs/dbraw/zinc/45/48/87/1076454887.db2.gz TUDLQPNYIVMTBR-UHFFFAOYSA-N -1 3 315.377 2.350 20 30 DEEDHM C=CCNc1c(-c2nnn[n-]2)cnc2c(OC)cc(OC)cc21 ZINC001588664452 1076460844 /nfs/dbraw/zinc/46/08/44/1076460844.db2.gz ZONGPXLTYWAKHU-UHFFFAOYSA-N -1 3 312.333 2.030 20 30 DEEDHM C=CCNc1c(-c2nn[n-]n2)cnc2c(OC)cc(OC)cc21 ZINC001588664452 1076460845 /nfs/dbraw/zinc/46/08/45/1076460845.db2.gz ZONGPXLTYWAKHU-UHFFFAOYSA-N -1 3 312.333 2.030 20 30 DEEDHM CC#CCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588746196 1076461563 /nfs/dbraw/zinc/46/15/63/1076461563.db2.gz NHGFTTPTMXLQGC-UHFFFAOYSA-N -1 3 310.361 2.279 20 30 DEEDHM CC#CCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001588746196 1076461564 /nfs/dbraw/zinc/46/15/64/1076461564.db2.gz NHGFTTPTMXLQGC-UHFFFAOYSA-N -1 3 310.361 2.279 20 30 DEEDHM CC#CCCNc1cc(Br)ccc1-c1nnn[n-]1 ZINC001588745843 1076462145 /nfs/dbraw/zinc/46/21/45/1076462145.db2.gz FVYYLVOKINYEOB-UHFFFAOYSA-N -1 3 306.167 2.455 20 30 DEEDHM CC#CCCNc1cc(Br)ccc1-c1nn[n-]n1 ZINC001588745843 1076462146 /nfs/dbraw/zinc/46/21/46/1076462146.db2.gz FVYYLVOKINYEOB-UHFFFAOYSA-N -1 3 306.167 2.455 20 30 DEEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c[nH]nc1C ZINC001588777178 1076463520 /nfs/dbraw/zinc/46/35/20/1076463520.db2.gz IFZKZBBUADHVDV-UHFFFAOYSA-N -1 3 316.756 2.388 20 30 DEEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c[nH]nc1C ZINC001588777178 1076463523 /nfs/dbraw/zinc/46/35/23/1076463523.db2.gz IFZKZBBUADHVDV-UHFFFAOYSA-N -1 3 316.756 2.388 20 30 DEEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CCC[C@@](C)(C#N)C2)c1 ZINC001588902677 1076467332 /nfs/dbraw/zinc/46/73/32/1076467332.db2.gz WZUIEEQNWJMORK-INIZCTEOSA-N -1 3 310.361 2.199 20 30 DEEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CCC[C@@](C)(C#N)C2)c1 ZINC001588902677 1076467335 /nfs/dbraw/zinc/46/73/35/1076467335.db2.gz WZUIEEQNWJMORK-INIZCTEOSA-N -1 3 310.361 2.199 20 30 DEEDHM CC(C)(C)C#CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1 ZINC001589071640 1076473788 /nfs/dbraw/zinc/47/37/88/1076473788.db2.gz LMACEILQUUDHPM-UHFFFAOYSA-N -1 3 302.309 2.099 20 30 DEEDHM CC(C)(C)C#CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1 ZINC001589071640 1076473791 /nfs/dbraw/zinc/47/37/91/1076473791.db2.gz LMACEILQUUDHPM-UHFFFAOYSA-N -1 3 302.309 2.099 20 30 DEEDHM CC(C)N(CCC#N)Cc1cc(-c2nnn[n-]2)cnc1Cl ZINC001589682531 1076505509 /nfs/dbraw/zinc/50/55/09/1076505509.db2.gz PVLDLXDYPHXBQX-UHFFFAOYSA-N -1 3 305.773 2.039 20 30 DEEDHM CC(C)N(CCC#N)Cc1cc(-c2nn[n-]n2)cnc1Cl ZINC001589682531 1076505512 /nfs/dbraw/zinc/50/55/12/1076505512.db2.gz PVLDLXDYPHXBQX-UHFFFAOYSA-N -1 3 305.773 2.039 20 30 DEEDHM CC(C)OCCCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589749049 1076510116 /nfs/dbraw/zinc/51/01/16/1076510116.db2.gz ZYUWQPXKNHAKLD-UHFFFAOYSA-N -1 3 300.366 2.355 20 30 DEEDHM CC(C)OCCCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589749049 1076510119 /nfs/dbraw/zinc/51/01/19/1076510119.db2.gz ZYUWQPXKNHAKLD-UHFFFAOYSA-N -1 3 300.366 2.355 20 30 DEEDHM C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001589797019 1076516959 /nfs/dbraw/zinc/51/69/59/1076516959.db2.gz SMYYSFLVUXRCTN-VIFPVBQESA-N -1 3 317.324 2.491 20 30 DEEDHM C[C@@H](CC(C)(C)C#N)OC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001589797019 1076516961 /nfs/dbraw/zinc/51/69/61/1076516961.db2.gz SMYYSFLVUXRCTN-VIFPVBQESA-N -1 3 317.324 2.491 20 30 DEEDHM C[C@@H](NC(=O)c1cscc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC001589950919 1076532065 /nfs/dbraw/zinc/53/20/65/1076532065.db2.gz MZAJXVVYNVNDJD-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM C[C@@H](NC(=O)c1cscc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC001589950919 1076532068 /nfs/dbraw/zinc/53/20/68/1076532068.db2.gz MZAJXVVYNVNDJD-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM CCC(=NOC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590359730 1076614989 /nfs/dbraw/zinc/61/49/89/1076614989.db2.gz MEMWOMQJXACQOE-NSHDSACASA-N -1 3 301.350 2.034 20 30 DEEDHM CCC(=NOC[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590359730 1076614993 /nfs/dbraw/zinc/61/49/93/1076614993.db2.gz MEMWOMQJXACQOE-NSHDSACASA-N -1 3 301.350 2.034 20 30 DEEDHM CCC(CC)CNN=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001590434536 1076627534 /nfs/dbraw/zinc/62/75/34/1076627534.db2.gz VFQKULVJUZLBKW-UHFFFAOYSA-N -1 3 313.409 2.328 20 30 DEEDHM CCC(CC)CNN=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001590434536 1076627538 /nfs/dbraw/zinc/62/75/38/1076627538.db2.gz VFQKULVJUZLBKW-UHFFFAOYSA-N -1 3 313.409 2.328 20 30 DEEDHM CCCCCCN(O)C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001590594193 1076657579 /nfs/dbraw/zinc/65/75/79/1076657579.db2.gz FWLPAIRCPJQAGD-UHFFFAOYSA-N -1 3 319.365 2.287 20 30 DEEDHM CCCCCCN(O)C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001590594193 1076657580 /nfs/dbraw/zinc/65/75/80/1076657580.db2.gz FWLPAIRCPJQAGD-UHFFFAOYSA-N -1 3 319.365 2.287 20 30 DEEDHM CCCCCCSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001590596079 1076658130 /nfs/dbraw/zinc/65/81/30/1076658130.db2.gz QCLGQFWIBNTSHK-UHFFFAOYSA-N -1 3 303.395 2.388 20 30 DEEDHM CCCCCCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001590596079 1076658131 /nfs/dbraw/zinc/65/81/31/1076658131.db2.gz QCLGQFWIBNTSHK-UHFFFAOYSA-N -1 3 303.395 2.388 20 30 DEEDHM CCN(C[C@H](C)C#N)C(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001590682839 1076667813 /nfs/dbraw/zinc/66/78/13/1076667813.db2.gz RVUXPMYLIMQWRE-SNVBAGLBSA-N -1 3 312.377 2.105 20 30 DEEDHM CCN(C[C@H](C)C#N)C(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001590682839 1076667814 /nfs/dbraw/zinc/66/78/14/1076667814.db2.gz RVUXPMYLIMQWRE-SNVBAGLBSA-N -1 3 312.377 2.105 20 30 DEEDHM CN(Cc1cccc(C#N)c1)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001591146359 1076713449 /nfs/dbraw/zinc/71/34/49/1076713449.db2.gz VUTIYFCWYYPNRO-UHFFFAOYSA-N -1 3 318.340 2.011 20 30 DEEDHM CN(Cc1cccc(C#N)c1)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001591146359 1076713452 /nfs/dbraw/zinc/71/34/52/1076713452.db2.gz VUTIYFCWYYPNRO-UHFFFAOYSA-N -1 3 318.340 2.011 20 30 DEEDHM CN(Cc1cccc(-c2nnn[n-]2)c1F)[C@@H]1CCC[C@@H]1C#N ZINC001591146109 1076713602 /nfs/dbraw/zinc/71/36/02/1076713602.db2.gz JEWUFBYSCXSFJK-ZWNOBZJWSA-N -1 3 300.341 2.130 20 30 DEEDHM CN(Cc1cccc(-c2nn[n-]n2)c1F)[C@@H]1CCC[C@@H]1C#N ZINC001591146109 1076713606 /nfs/dbraw/zinc/71/36/06/1076713606.db2.gz JEWUFBYSCXSFJK-ZWNOBZJWSA-N -1 3 300.341 2.130 20 30 DEEDHM COc1ccccc1CON=Cc1cc(-c2nnn[n-]2)cs1 ZINC001591650492 1076769854 /nfs/dbraw/zinc/76/98/54/1076769854.db2.gz TXBZDGJABBIXQX-UHFFFAOYSA-N -1 3 315.358 2.488 20 30 DEEDHM COc1ccccc1CON=Cc1cc(-c2nn[n-]n2)cs1 ZINC001591650492 1076769858 /nfs/dbraw/zinc/76/98/58/1076769858.db2.gz TXBZDGJABBIXQX-UHFFFAOYSA-N -1 3 315.358 2.488 20 30 DEEDHM CSC1(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CC1 ZINC001591689736 1076771774 /nfs/dbraw/zinc/77/17/74/1076771774.db2.gz HZKBOLJKJONPGU-UHFFFAOYSA-N -1 3 309.786 2.208 20 30 DEEDHM CSC1(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CC1 ZINC001591689736 1076771779 /nfs/dbraw/zinc/77/17/79/1076771779.db2.gz HZKBOLJKJONPGU-UHFFFAOYSA-N -1 3 309.786 2.208 20 30 DEEDHM Cc1cc(C#N)cc(N(C)CCc2cccc(-c3nnn[n-]3)c2)n1 ZINC001591905655 1076805031 /nfs/dbraw/zinc/80/50/31/1076805031.db2.gz DLQUNSGEBVREIF-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM Cc1cc(C#N)cc(N(C)CCc2cccc(-c3nn[n-]n3)c2)n1 ZINC001591905655 1076805036 /nfs/dbraw/zinc/80/50/36/1076805036.db2.gz DLQUNSGEBVREIF-UHFFFAOYSA-N -1 3 319.372 2.121 20 30 DEEDHM Cc1cc(C(=O)N(C)CC(C)(C)C#N)cc(C)c1-c1nnn[n-]1 ZINC001591907262 1076806011 /nfs/dbraw/zinc/80/60/11/1076806011.db2.gz HRYRZHIZBSSFSJ-UHFFFAOYSA-N -1 3 312.377 2.105 20 30 DEEDHM Cc1cc(C(=O)N(C)CC(C)(C)C#N)cc(C)c1-c1nn[n-]n1 ZINC001591907262 1076806013 /nfs/dbraw/zinc/80/60/13/1076806013.db2.gz HRYRZHIZBSSFSJ-UHFFFAOYSA-N -1 3 312.377 2.105 20 30 DEEDHM Cc1cc(C)c(CNc2c(C#N)cccc2-c2nnn[n-]2)cn1 ZINC001591948440 1076812965 /nfs/dbraw/zinc/81/29/65/1076812965.db2.gz IWQTWSARPOAIGR-UHFFFAOYSA-N -1 3 305.345 2.362 20 30 DEEDHM Cc1cc(C)c(CNc2c(C#N)cccc2-c2nn[n-]n2)cn1 ZINC001591948440 1076812973 /nfs/dbraw/zinc/81/29/73/1076812973.db2.gz IWQTWSARPOAIGR-UHFFFAOYSA-N -1 3 305.345 2.362 20 30 DEEDHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1C#N ZINC001592130002 1076854168 /nfs/dbraw/zinc/85/41/68/1076854168.db2.gz PMCRWTLNXKQHQM-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1ccc(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1C#N ZINC001592130002 1076854174 /nfs/dbraw/zinc/85/41/74/1076854174.db2.gz PMCRWTLNXKQHQM-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1ccc(C(=O)Nc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC001592130934 1076855755 /nfs/dbraw/zinc/85/57/55/1076855755.db2.gz VBUYEYHOKFXULB-UHFFFAOYSA-N -1 3 304.313 2.299 20 30 DEEDHM Cc1ccc(C(=O)Nc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC001592130934 1076855761 /nfs/dbraw/zinc/85/57/61/1076855761.db2.gz VBUYEYHOKFXULB-UHFFFAOYSA-N -1 3 304.313 2.299 20 30 DEEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(N3CC[C@@](F)(C#N)C3)c2c1 ZINC001592207537 1076874634 /nfs/dbraw/zinc/87/46/34/1076874634.db2.gz HFFGEOHDLZQTQE-MRXNPFEDSA-N -1 3 323.335 2.165 20 30 DEEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(N3CC[C@@](F)(C#N)C3)c2c1 ZINC001592207537 1076874638 /nfs/dbraw/zinc/87/46/38/1076874638.db2.gz HFFGEOHDLZQTQE-MRXNPFEDSA-N -1 3 323.335 2.165 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccsc1Cl ZINC001592340654 1076900577 /nfs/dbraw/zinc/90/05/77/1076900577.db2.gz WAZSFKPEIKXTQI-UHFFFAOYSA-N -1 3 305.754 2.007 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccsc1Cl ZINC001592340654 1076900580 /nfs/dbraw/zinc/90/05/80/1076900580.db2.gz WAZSFKPEIKXTQI-UHFFFAOYSA-N -1 3 305.754 2.007 20 30 DEEDHM Cc1nc(C#N)cc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001592339950 1076900632 /nfs/dbraw/zinc/90/06/32/1076900632.db2.gz MPNQWQTVPPAXGD-SECBINFHSA-N -1 3 306.333 2.010 20 30 DEEDHM Cc1nc(C#N)cc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001592339950 1076900634 /nfs/dbraw/zinc/90/06/34/1076900634.db2.gz MPNQWQTVPPAXGD-SECBINFHSA-N -1 3 306.333 2.010 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccccc1C(C)C ZINC001592339940 1076900644 /nfs/dbraw/zinc/90/06/44/1076900644.db2.gz MMCUAICWJDSOLQ-UHFFFAOYSA-N -1 3 307.361 2.415 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccccc1C(C)C ZINC001592339940 1076900646 /nfs/dbraw/zinc/90/06/46/1076900646.db2.gz MMCUAICWJDSOLQ-UHFFFAOYSA-N -1 3 307.361 2.415 20 30 DEEDHM Cc1ncsc1C=C1Cc2ccc(-c3nnn[n-]3)cc2C1=O ZINC001592423355 1076911864 /nfs/dbraw/zinc/91/18/64/1076911864.db2.gz CINISVHJRIMDAY-WDZFZDKYSA-N -1 3 309.354 2.454 20 30 DEEDHM Cc1ncsc1C=C1Cc2ccc(-c3nn[n-]n3)cc2C1=O ZINC001592423355 1076911868 /nfs/dbraw/zinc/91/18/68/1076911868.db2.gz CINISVHJRIMDAY-WDZFZDKYSA-N -1 3 309.354 2.454 20 30 DEEDHM Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CCC(C)(C)C#N ZINC001592439552 1076912886 /nfs/dbraw/zinc/91/28/86/1076912886.db2.gz BCYNWTNAEQROMO-UHFFFAOYSA-N -1 3 322.376 2.374 20 30 DEEDHM Cc1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CCC(C)(C)C#N ZINC001592439552 1076912887 /nfs/dbraw/zinc/91/28/87/1076912887.db2.gz BCYNWTNAEQROMO-UHFFFAOYSA-N -1 3 322.376 2.374 20 30 DEEDHM Clc1cccc(NN=Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001592535398 1076927824 /nfs/dbraw/zinc/92/78/24/1076927824.db2.gz XRQLSSQCTQSUPW-UHFFFAOYSA-N -1 3 305.754 2.423 20 30 DEEDHM Clc1cccc(NN=Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001592535398 1076927826 /nfs/dbraw/zinc/92/78/26/1076927826.db2.gz XRQLSSQCTQSUPW-UHFFFAOYSA-N -1 3 305.754 2.423 20 30 DEEDHM FC1(F)CCC[C@H]1CNN=Cc1ccc(-c2nnn[n-]2)s1 ZINC001592627914 1076934853 /nfs/dbraw/zinc/93/48/53/1076934853.db2.gz IQFPQVBDYRWSJN-QMMMGPOBSA-N -1 3 312.349 2.287 20 30 DEEDHM Fc1cc(C=NNC[C@H]2CCCC2(F)F)ccc1-c1nnn[n-]1 ZINC001592638505 1076939058 /nfs/dbraw/zinc/93/90/58/1076939058.db2.gz WSROMBCJLJHEJT-SNVBAGLBSA-N -1 3 324.310 2.365 20 30 DEEDHM Fc1cc(C=NNC[C@H]2CCCC2(F)F)ccc1-c1nn[n-]n1 ZINC001592638505 1076939062 /nfs/dbraw/zinc/93/90/62/1076939062.db2.gz WSROMBCJLJHEJT-SNVBAGLBSA-N -1 3 324.310 2.365 20 30 DEEDHM N#CC1(CC(=O)Nc2sc3c(c2-c2nnn[n-]2)CCC3)CC1 ZINC001592666855 1076948226 /nfs/dbraw/zinc/94/82/26/1076948226.db2.gz MCUOSVDSVCQHLY-UHFFFAOYSA-N -1 3 314.374 2.049 20 30 DEEDHM N#CC1(CC(=O)Nc2sc3c(c2-c2nn[n-]n2)CCC3)CC1 ZINC001592666855 1076948229 /nfs/dbraw/zinc/94/82/29/1076948229.db2.gz MCUOSVDSVCQHLY-UHFFFAOYSA-N -1 3 314.374 2.049 20 30 DEEDHM N#CC1(CNc2cc(-c3nnn[n-]3)cc(Cl)n2)CCCC1 ZINC001592669732 1076949481 /nfs/dbraw/zinc/94/94/81/1076949481.db2.gz LLUCSFHRVXOIJY-UHFFFAOYSA-N -1 3 303.757 2.411 20 30 DEEDHM N#CC1(CNc2cc(-c3nn[n-]n3)cc(Cl)n2)CCCC1 ZINC001592669732 1076949484 /nfs/dbraw/zinc/94/94/84/1076949484.db2.gz LLUCSFHRVXOIJY-UHFFFAOYSA-N -1 3 303.757 2.411 20 30 DEEDHM N#C[C@@H]1CCCN(c2ccc3cc(-c4nnn[n-]4)ccc3n2)C1 ZINC001592672397 1076949650 /nfs/dbraw/zinc/94/96/50/1076949650.db2.gz HNKVEQFHXANSPT-NSHDSACASA-N -1 3 305.345 2.155 20 30 DEEDHM N#C[C@@H]1CCCN(c2ccc3cc(-c4nn[n-]n4)ccc3n2)C1 ZINC001592672397 1076949653 /nfs/dbraw/zinc/94/96/53/1076949653.db2.gz HNKVEQFHXANSPT-NSHDSACASA-N -1 3 305.345 2.155 20 30 DEEDHM N#CCC1(COC(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)CC1 ZINC001592675467 1076950683 /nfs/dbraw/zinc/95/06/83/1076950683.db2.gz PMOYYURSOVLTIU-UHFFFAOYSA-N -1 3 323.356 2.135 20 30 DEEDHM N#CCC1(COC(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)CC1 ZINC001592675467 1076950688 /nfs/dbraw/zinc/95/06/88/1076950688.db2.gz PMOYYURSOVLTIU-UHFFFAOYSA-N -1 3 323.356 2.135 20 30 DEEDHM N#C[C@H]1CCCN(Cc2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001592672964 1076951077 /nfs/dbraw/zinc/95/10/77/1076951077.db2.gz 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ZINC001592700228 1076956102 /nfs/dbraw/zinc/95/61/02/1076956102.db2.gz LVWFODVCIBFFAK-UHFFFAOYSA-N -1 3 324.369 2.304 20 30 DEEDHM N#Cc1csc(COc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC001592706577 1076956962 /nfs/dbraw/zinc/95/69/62/1076956962.db2.gz YJFRZSOYMIFJRY-UHFFFAOYSA-N -1 3 318.749 2.427 20 30 DEEDHM N#Cc1csc(COc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC001592706577 1076956964 /nfs/dbraw/zinc/95/69/64/1076956964.db2.gz YJFRZSOYMIFJRY-UHFFFAOYSA-N -1 3 318.749 2.427 20 30 DEEDHM N#CC1(C[C@@H](O)CN2CCc3cccc(C(=O)[O-])c3C2)CCC1 ZINC001601055196 1077327440 /nfs/dbraw/zinc/32/74/40/1077327440.db2.gz XTUJKKNONSPSNT-CQSZACIVSA-N -1 3 314.385 2.188 20 30 DEEDHM N#CCOc1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC001601075175 1077331566 /nfs/dbraw/zinc/33/15/66/1077331566.db2.gz CCMHMTCCTGGXQD-QGZVFWFLSA-N -1 3 321.336 2.376 20 30 DEEDHM N#Cc1c(CN2CCC[C@@H](CCO)CC2)cccc1C(=O)[O-] ZINC001601081338 1077333738 /nfs/dbraw/zinc/33/37/38/1077333738.db2.gz FHYYUZOLFOHTKW-CYBMUJFWSA-N -1 3 302.374 2.241 20 30 DEEDHM N#CC1(C(=O)[O-])CCN(Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001608174072 1077603177 /nfs/dbraw/zinc/60/31/77/1077603177.db2.gz HBOVNRFTKOPYAA-UHFFFAOYSA-N -1 3 311.341 2.131 20 30 DEEDHM N#Cc1ccc(Br)c(CNC2(CC(=O)[O-])CC2)c1 ZINC001608199108 1077607665 /nfs/dbraw/zinc/60/76/65/1077607665.db2.gz SBOCVXXRBSWJPB-UHFFFAOYSA-N -1 3 309.163 2.418 20 30 DEEDHM C=CCC[C@@H](CO)Nc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC001609053617 1077749340 /nfs/dbraw/zinc/74/93/40/1077749340.db2.gz NHZQNACAZCNSBW-NSHDSACASA-N -1 3 310.361 2.154 20 30 DEEDHM C=CCC[C@@H](CO)Nc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC001609053617 1077749342 /nfs/dbraw/zinc/74/93/42/1077749342.db2.gz NHZQNACAZCNSBW-NSHDSACASA-N -1 3 310.361 2.154 20 30 DEEDHM C=C[C@@H]1OCC[C@H]1CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC001609060048 1077752105 /nfs/dbraw/zinc/75/21/05/1077752105.db2.gz VYROWTZIJSLZFQ-ONGXEEELSA-N -1 3 320.784 2.227 20 30 DEEDHM C=C[C@@H]1OCC[C@H]1CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC001609060048 1077752108 /nfs/dbraw/zinc/75/21/08/1077752108.db2.gz VYROWTZIJSLZFQ-ONGXEEELSA-N -1 3 320.784 2.227 20 30 DEEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001609073884 1077753298 /nfs/dbraw/zinc/75/32/98/1077753298.db2.gz UHGSQQHZCHAGIC-LLVKDONJSA-N -1 3 318.768 2.188 20 30 DEEDHM CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001609073884 1077753299 /nfs/dbraw/zinc/75/32/99/1077753299.db2.gz UHGSQQHZCHAGIC-LLVKDONJSA-N -1 3 318.768 2.188 20 30 DEEDHM C[C@@H](OC(=O)C1(C#N)CC(C)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001609155963 1077776332 /nfs/dbraw/zinc/77/63/32/1077776332.db2.gz YJINDTWTBZKVSK-NOEPWBJOSA-N -1 3 311.345 2.411 20 30 DEEDHM C[C@@H](OC(=O)C1(C#N)CC(C)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001609155963 1077776339 /nfs/dbraw/zinc/77/63/39/1077776339.db2.gz YJINDTWTBZKVSK-NOEPWBJOSA-N -1 3 311.345 2.411 20 30 DEEDHM CCC(CC)CN(CCC#N)Cc1ccncc1-c1nnn[n-]1 ZINC001609189382 1077790417 /nfs/dbraw/zinc/79/04/17/1077790417.db2.gz WLTPLKQNBSVJFF-UHFFFAOYSA-N -1 3 313.409 2.414 20 30 DEEDHM CCC(CC)CN(CCC#N)Cc1ccncc1-c1nn[n-]n1 ZINC001609189382 1077790419 /nfs/dbraw/zinc/79/04/19/1077790419.db2.gz WLTPLKQNBSVJFF-UHFFFAOYSA-N -1 3 313.409 2.414 20 30 DEEDHM CCC[C@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609204597 1077797780 /nfs/dbraw/zinc/79/77/80/1077797780.db2.gz JEYZHQHXBWGTLB-FZMZJTMJSA-N -1 3 313.361 2.281 20 30 DEEDHM CCC[C@H](C)OC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609204597 1077797786 /nfs/dbraw/zinc/79/77/86/1077797786.db2.gz JEYZHQHXBWGTLB-FZMZJTMJSA-N -1 3 313.361 2.281 20 30 DEEDHM COc1ccc(-c2nn[n-]n2)cc1N=Cc1cccc(O)c1O ZINC001609349783 1077839465 /nfs/dbraw/zinc/83/94/65/1077839465.db2.gz KXVVEEVSXNHEEB-UHFFFAOYSA-N -1 3 311.301 2.037 20 30 DEEDHM CSC[C@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001609370385 1077842928 /nfs/dbraw/zinc/84/29/28/1077842928.db2.gz GGKPBWNWMAATGH-NSHDSACASA-N -1 3 314.418 2.318 20 30 DEEDHM CSC[C@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001609370385 1077842932 /nfs/dbraw/zinc/84/29/32/1077842932.db2.gz GGKPBWNWMAATGH-NSHDSACASA-N -1 3 314.418 2.318 20 30 DEEDHM Fc1ccc(CNN=C2CCc3ccc(-c4nnn[n-]4)cc32)cc1 ZINC001609490605 1077869407 /nfs/dbraw/zinc/86/94/07/1077869407.db2.gz HQQCYRJWPILZEC-UHFFFAOYSA-N -1 3 322.347 2.446 20 30 DEEDHM Fc1ccc(CNN=C2CCc3ccc(-c4nn[n-]n4)cc32)cc1 ZINC001609490605 1077869409 /nfs/dbraw/zinc/86/94/09/1077869409.db2.gz HQQCYRJWPILZEC-UHFFFAOYSA-N -1 3 322.347 2.446 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H](O)c1ccc(F)cc1 ZINC001609499801 1077871606 /nfs/dbraw/zinc/87/16/06/1077871606.db2.gz KOIIJQVESPAWEW-CQSZACIVSA-N -1 3 324.319 2.023 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H](O)c1ccc(F)cc1 ZINC001609499801 1077871609 /nfs/dbraw/zinc/87/16/09/1077871609.db2.gz KOIIJQVESPAWEW-CQSZACIVSA-N -1 3 324.319 2.023 20 30 DEEDHM N#Cc1ncn(CCc2ccc3ccccc3c2)c1-c1nnn[n-]1 ZINC001609501077 1077871853 /nfs/dbraw/zinc/87/18/53/1077871853.db2.gz AHPGHSSHQZILFP-UHFFFAOYSA-N -1 3 315.340 2.331 20 30 DEEDHM CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H](N)CCCC#N)cc1 ZINC001609651507 1077895444 /nfs/dbraw/zinc/89/54/44/1077895444.db2.gz SMUHMCIVJSNKJH-ZDUSSCGKSA-N -1 3 303.362 2.008 20 30 DEEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1cnn(C2CCC2)c1 ZINC001650495498 1079665298 /nfs/dbraw/zinc/66/52/98/1079665298.db2.gz FLRFHNYRVJVLRH-NSHDSACASA-N -1 3 303.753 2.485 20 30 DEEDHM Cn1c(Cl)cnc1C(C#N)=C([O-])c1cncnc1C1CC1 ZINC001650494941 1079665428 /nfs/dbraw/zinc/66/54/28/1079665428.db2.gz DSICJHBCQHVQTA-SECBINFHSA-N -1 3 301.737 2.231 20 30 DEEDHM C[C@H](NC(=O)c1ccoc1)C(=O)N([O-])Cc1ccccc1Cl ZINC001654814098 1079976842 /nfs/dbraw/zinc/97/68/42/1079976842.db2.gz LSDHSQPBDXQPQR-JTQLQIEISA-N -1 3 322.748 2.469 20 30 DEEDHM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2ccc([O-])cc2)C1=O ZINC001269482355 1081261957 /nfs/dbraw/zinc/26/19/57/1081261957.db2.gz ALTFOISHNRZFAA-SFHVURJKSA-N -1 3 314.385 2.175 20 30 DEEDHM C=C(C)CN1CC[C@@]2(CCN(C(=O)c3ccc([O-])cc3)C2)C1=O ZINC001269483644 1081262933 /nfs/dbraw/zinc/26/29/33/1081262933.db2.gz XNEFNEMIOUWQCQ-SFHVURJKSA-N -1 3 314.385 2.033 20 30 DEEDHM C[C@H]1CCCC[C@@]1(CNCC#N)NC(=O)c1ccccc1[O-] ZINC001269660018 1081324736 /nfs/dbraw/zinc/32/47/36/1081324736.db2.gz ZHDIVBYBVMKZLU-GUYCJALGSA-N -1 3 301.390 2.184 20 30 DEEDHM C=C(CC)C[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001669721842 1081464454 /nfs/dbraw/zinc/46/44/54/1081464454.db2.gz SVIVFDAUALSKRL-UHFFFAOYSA-N -1 3 301.755 2.121 20 30 DEEDHM C=CCCC(=O)N1CCC[C@H](NC(=O)c2ccccc2[O-])CC1 ZINC001065865724 1090894671 /nfs/dbraw/zinc/89/46/71/1090894671.db2.gz ZDMNGVWBFCPWDK-AWEZNQCLSA-N -1 3 316.401 2.469 20 30 DEEDHM O=C([O-])c1cc(F)ccc1CN1CCC2SC(=O)C=C2C1 ZINC001238231324 1138836059 /nfs/dbraw/zinc/83/60/59/1138836059.db2.gz AHOMMELPRUWLFB-CYBMUJFWSA-N -1 3 307.346 2.298 20 30 DEEDHM C=C[C@H](C)[C@@H](C)C(=O)NC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001299125514 1140151491 /nfs/dbraw/zinc/15/14/91/1140151491.db2.gz YQCYTAVNKYLOIJ-QWHCGFSZSA-N -1 3 316.401 2.229 20 30 DEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCC(C)(C)CC1 ZINC001338834692 1142883652 /nfs/dbraw/zinc/88/36/52/1142883652.db2.gz 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C=CC[C@H](NC(=O)c1cccc(CN2CCCCC2)c1)C(=O)[O-] ZINC001350770187 1151397711 /nfs/dbraw/zinc/39/77/11/1151397711.db2.gz ZRWGCTANXSWZDD-INIZCTEOSA-N -1 3 316.401 2.432 20 30 DEEDHM C#CC[C@@H](COC)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001602682701 1069723494 /nfs/dbraw/zinc/72/34/94/1069723494.db2.gz CUOQGDIZDJBSNI-QWHCGFSZSA-N -1 3 315.291 2.459 20 30 DEEDHM C#CC[C@H]1CCCN(c2c(F)cc(-c3nnn[n-]3)cc2F)C1 ZINC001602698994 1069730801 /nfs/dbraw/zinc/73/08/01/1069730801.db2.gz CHPQRDQCTISYFJ-JTQLQIEISA-N -1 3 303.316 2.385 20 30 DEEDHM C#CC[C@H]1CCCN(c2c(F)cc(-c3nn[n-]n3)cc2F)C1 ZINC001602698994 1069730809 /nfs/dbraw/zinc/73/08/09/1069730809.db2.gz CHPQRDQCTISYFJ-JTQLQIEISA-N -1 3 303.316 2.385 20 30 DEEDHM C=C(Br)COc1cc(OC)cc(-c2nnn[n-]2)c1 ZINC001602750000 1069742194 /nfs/dbraw/zinc/74/21/94/1069742194.db2.gz QRWAWOKQNBFBMD-UHFFFAOYSA-N -1 3 311.139 2.163 20 30 DEEDHM C=C(Br)COc1cc(OC)cc(-c2nn[n-]n2)c1 ZINC001602750000 1069742204 /nfs/dbraw/zinc/74/22/04/1069742204.db2.gz QRWAWOKQNBFBMD-UHFFFAOYSA-N -1 3 311.139 2.163 20 30 DEEDHM C=C[C@H](CC)CC(=O)Oc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602805144 1069759455 /nfs/dbraw/zinc/75/94/55/1069759455.db2.gz YXIRHRKDAPKGCX-SNVBAGLBSA-N -1 3 302.334 2.383 20 30 DEEDHM C=C[C@H](CC)CC(=O)Oc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602805144 1069759460 /nfs/dbraw/zinc/75/94/60/1069759460.db2.gz YXIRHRKDAPKGCX-SNVBAGLBSA-N -1 3 302.334 2.383 20 30 DEEDHM C=CC[C@H](CC)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001602811286 1069762693 /nfs/dbraw/zinc/76/26/93/1069762693.db2.gz IIBCPEIAFLHTAN-NSHDSACASA-N -1 3 316.365 2.352 20 30 DEEDHM C=CC[C@H](CC)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001602811286 1069762712 /nfs/dbraw/zinc/76/27/12/1069762712.db2.gz IIBCPEIAFLHTAN-NSHDSACASA-N -1 3 316.365 2.352 20 30 DEEDHM C=CC[C@@H]1CCCN(C(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001602822726 1069766356 /nfs/dbraw/zinc/76/63/56/1069766356.db2.gz FCCOYQFDHRTSFS-CYBMUJFWSA-N -1 3 311.389 2.224 20 30 DEEDHM C=CC[C@@H]1CCCN(C(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001602822726 1069766360 /nfs/dbraw/zinc/76/63/60/1069766360.db2.gz FCCOYQFDHRTSFS-CYBMUJFWSA-N -1 3 311.389 2.224 20 30 DEEDHM C=CCCCCNC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602838457 1069773562 /nfs/dbraw/zinc/77/35/62/1069773562.db2.gz YBTTTXYQJZPBHM-UHFFFAOYSA-N -1 3 301.354 2.048 20 30 DEEDHM C=CCCCCNC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602838457 1069773566 /nfs/dbraw/zinc/77/35/66/1069773566.db2.gz YBTTTXYQJZPBHM-UHFFFAOYSA-N -1 3 301.354 2.048 20 30 DEEDHM C=CCN(CC=C)C(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001602849882 1069776820 /nfs/dbraw/zinc/77/68/20/1069776820.db2.gz ISFNSBNLHNBRBN-UHFFFAOYSA-N -1 3 314.349 2.081 20 30 DEEDHM C=CCN(CC=C)C(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001602849882 1069776832 /nfs/dbraw/zinc/77/68/32/1069776832.db2.gz ISFNSBNLHNBRBN-UHFFFAOYSA-N -1 3 314.349 2.081 20 30 DEEDHM C=CCOc1ccc(CNc2ncccc2-c2nnn[n-]2)cc1 ZINC001602871109 1069783614 /nfs/dbraw/zinc/78/36/14/1069783614.db2.gz RPELKQHWWNNYCP-UHFFFAOYSA-N -1 3 308.345 2.439 20 30 DEEDHM C=CCOc1ccc(CNc2ncccc2-c2nn[n-]n2)cc1 ZINC001602871109 1069783621 /nfs/dbraw/zinc/78/36/21/1069783621.db2.gz RPELKQHWWNNYCP-UHFFFAOYSA-N -1 3 308.345 2.439 20 30 DEEDHM C=CCN(Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1)C(C)C ZINC001602894069 1069789540 /nfs/dbraw/zinc/78/95/40/1069789540.db2.gz RSOVBLHQLZPQRF-UHFFFAOYSA-N -1 3 308.334 2.455 20 30 DEEDHM CC(C)(CC#N)CNc1cc(F)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001603135468 1069885483 /nfs/dbraw/zinc/88/54/83/1069885483.db2.gz NXVUQVPVMBNDOW-UHFFFAOYSA-N -1 3 319.300 2.266 20 30 DEEDHM CC(C)(CC#N)CNc1cc(F)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001603135468 1069885503 /nfs/dbraw/zinc/88/55/03/1069885503.db2.gz NXVUQVPVMBNDOW-UHFFFAOYSA-N -1 3 319.300 2.266 20 30 DEEDHM CC1(C#N)CN(C(=O)Nc2ccc(C3CC3)c(-c3nnn[n-]3)c2)C1 ZINC001603738483 1070071187 /nfs/dbraw/zinc/07/11/87/1070071187.db2.gz PMFRNIKVAYYRFF-UHFFFAOYSA-N -1 3 323.360 2.121 20 30 DEEDHM CC1(C#N)CN(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)C1 ZINC001603738483 1070071206 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C[C@@H](Cc1ccc(NC(=O)[C@H](N)CCCCC#N)cc1)C(=O)[O-] ZINC001604225218 1070283581 /nfs/dbraw/zinc/28/35/81/1070283581.db2.gz QZHXDDOVJNMXMR-SWLSCSKDSA-N -1 3 317.389 2.300 20 30 DEEDHM CCO[C@@H]1CCCC1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC001604412585 1070369550 /nfs/dbraw/zinc/36/95/50/1070369550.db2.gz VUQDZQAEPMWVEM-SNVBAGLBSA-N -1 3 321.772 2.272 20 30 DEEDHM CCO[C@@H]1CCCC1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC001604412585 1070369568 /nfs/dbraw/zinc/36/95/68/1070369568.db2.gz VUQDZQAEPMWVEM-SNVBAGLBSA-N -1 3 321.772 2.272 20 30 DEEDHM CN(C(=O)c1ccc(F)c(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001604659193 1070460040 /nfs/dbraw/zinc/46/00/40/1070460040.db2.gz VXOKYUXOARIXRW-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM CN(C(=O)c1ccc(F)c(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001604659193 1070460045 /nfs/dbraw/zinc/46/00/45/1070460045.db2.gz VXOKYUXOARIXRW-UHFFFAOYSA-N -1 3 322.303 2.154 20 30 DEEDHM COc1cc(C=CC(=O)c2cccc(O)c2)ccc1-c1nnn[n-]1 ZINC001605204995 1070643107 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Cc1ccc(CNc2ncc(C#N)cc2F)cc1-c1nnn[n-]1 ZINC001605858160 1070947904 /nfs/dbraw/zinc/94/79/04/1070947904.db2.gz JOMPKBXNNRWCFS-UHFFFAOYSA-N -1 3 309.308 2.193 20 30 DEEDHM Cc1ccc(CNc2ncc(C#N)cc2F)cc1-c1nn[n-]n1 ZINC001605858160 1070947915 /nfs/dbraw/zinc/94/79/15/1070947915.db2.gz JOMPKBXNNRWCFS-UHFFFAOYSA-N -1 3 309.308 2.193 20 30 DEEDHM Cc1nc(N2CCc3ccc(C#N)cc32)ccc1-c1nnn[n-]1 ZINC001606055202 1071030771 /nfs/dbraw/zinc/03/07/71/1071030771.db2.gz DFEQCUTWFUUMLC-UHFFFAOYSA-N -1 3 303.329 2.136 20 30 DEEDHM Cc1nc(N2CCc3ccc(C#N)cc32)ccc1-c1nn[n-]n1 ZINC001606055202 1071030783 /nfs/dbraw/zinc/03/07/83/1071030783.db2.gz DFEQCUTWFUUMLC-UHFFFAOYSA-N -1 3 303.329 2.136 20 30 DEEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC001606337761 1071127344 /nfs/dbraw/zinc/12/73/44/1071127344.db2.gz MIBFBBYESIOGBP-FJVVXJACSA-N -1 3 322.372 2.078 20 30 DEEDHM N#C[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC001606337761 1071127346 /nfs/dbraw/zinc/12/73/46/1071127346.db2.gz MIBFBBYESIOGBP-FJVVXJACSA-N -1 3 322.372 2.078 20 30 DEEDHM N#CC1(CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C2CCC2)CC1 ZINC001606340123 1071127477 /nfs/dbraw/zinc/12/74/77/1071127477.db2.gz DBESVUQIGAUPDN-UHFFFAOYSA-N -1 3 322.372 2.446 20 30 DEEDHM N#CC1(CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C2CCC2)CC1 ZINC001606340123 1071127481 /nfs/dbraw/zinc/12/74/81/1071127481.db2.gz DBESVUQIGAUPDN-UHFFFAOYSA-N -1 3 322.372 2.446 20 30 DEEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC1=CCCCC1 ZINC001606357330 1071132786 /nfs/dbraw/zinc/13/27/86/1071132786.db2.gz NCVHKLTWPBKRRQ-UHFFFAOYSA-N -1 3 313.390 2.308 20 30 DEEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCC1=CCCCC1 ZINC001606357330 1071132790 /nfs/dbraw/zinc/13/27/90/1071132790.db2.gz NCVHKLTWPBKRRQ-UHFFFAOYSA-N -1 3 313.390 2.308 20 30 DEEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)s1 ZINC001606367287 1071133702 /nfs/dbraw/zinc/13/37/02/1071133702.db2.gz AICQBYJNTCGSAR-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)s1 ZINC001606367287 1071133703 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DEEDHM Cn1ncc2c1nc(S[C@@H](C#N)Cc1ccccc1)[n-]c2=O ZINC001459183096 1058133689 /nfs/dbraw/zinc/13/36/89/1058133689.db2.gz GDEPOEBKHLWCCM-LLVKDONJSA-N -1 3 311.370 2.296 20 30 DEEDHM C=C[C@@H](C(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC001467350038 1059614928 /nfs/dbraw/zinc/61/49/28/1059614928.db2.gz MUNKORGMOPZSAB-SNVBAGLBSA-N -1 3 310.279 2.410 20 30 DEEDHM C=C1CC(C)(C(=O)NC/C=C\CNC(=O)c2ccccc2[O-])C1 ZINC001501695707 1059647084 /nfs/dbraw/zinc/64/70/84/1059647084.db2.gz WMHPSUADKJRSOR-WAYWQWQTSA-N -1 3 314.385 2.151 20 30 DEEDHM C=C(C)C(C)(C)C(=O)NC[C@@H](C)NC(=O)c1ccccc1[O-] ZINC001502026753 1059879586 /nfs/dbraw/zinc/87/95/86/1059879586.db2.gz RTWMDXTZOKJEQI-GFCCVEGCSA-N -1 3 304.390 2.229 20 30 DEEDHM N#CCc1ccc(C(=O)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1 ZINC001471676745 1060275579 /nfs/dbraw/zinc/27/55/79/1060275579.db2.gz FVHSXKDEHTYKPS-UHFFFAOYSA-N -1 3 320.352 2.282 20 30 DEEDHM N#C[C@@]1(C(=O)NCc2cc(=O)[n-]c(C3CC3)n2)CC12CCCC2 ZINC001471810875 1060305890 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DEEDHM C#CCCCOC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001588345463 1076443678 /nfs/dbraw/zinc/44/36/78/1076443678.db2.gz HVSZVRPVFCUVHF-UHFFFAOYSA-N -1 3 323.312 2.092 20 30 DEEDHM C#CCN(c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])C1CCCC1 ZINC001588352292 1076443716 /nfs/dbraw/zinc/44/37/16/1076443716.db2.gz XRUVCPANAUJNPA-UHFFFAOYSA-N -1 3 312.333 2.157 20 30 DEEDHM C#CCN(c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-])C1CCCC1 ZINC001588352292 1076443718 /nfs/dbraw/zinc/44/37/18/1076443718.db2.gz XRUVCPANAUJNPA-UHFFFAOYSA-N -1 3 312.333 2.157 20 30 DEEDHM C#Cc1ccc(NC(=O)c2ccc(C)c(-c3nnn[n-]3)c2)cc1 ZINC001588374598 1076444156 /nfs/dbraw/zinc/44/41/56/1076444156.db2.gz CGODPBXUJSPUEQ-UHFFFAOYSA-N -1 3 303.325 2.409 20 30 DEEDHM C#Cc1ccc(NC(=O)c2ccc(C)c(-c3nn[n-]n3)c2)cc1 ZINC001588374598 1076444159 /nfs/dbraw/zinc/44/41/59/1076444159.db2.gz CGODPBXUJSPUEQ-UHFFFAOYSA-N -1 3 303.325 2.409 20 30 DEEDHM C#Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nnn[n-]2)nc1 ZINC001588373744 1076444266 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318.406 2.473 20 30 DEEDHM Cc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1-c1nnn[n-]1 ZINC001609418106 1077855996 /nfs/dbraw/zinc/85/59/96/1077855996.db2.gz XEHCDCUXZFEMTD-AWEZNQCLSA-N -1 3 324.388 2.330 20 30 DEEDHM Cc1ccc(C(=O)N2CCCC(C)(C)[C@@H]2C#N)cc1-c1nn[n-]n1 ZINC001609418106 1077855997 /nfs/dbraw/zinc/85/59/97/1077855997.db2.gz XEHCDCUXZFEMTD-AWEZNQCLSA-N -1 3 324.388 2.330 20 30 DEEDHM Cc1ncccc1C=C1CCc2cc(-c3nnn[n-]3)cnc2C1=O ZINC001609456800 1077863198 /nfs/dbraw/zinc/86/31/98/1077863198.db2.gz HFRIYASVPZXFAX-QPEQYQDCSA-N -1 3 318.340 2.178 20 30 DEEDHM Cc1ncccc1C=C1CCc2cc(-c3nn[n-]n3)cnc2C1=O ZINC001609456800 1077863199 /nfs/dbraw/zinc/86/31/99/1077863199.db2.gz HFRIYASVPZXFAX-QPEQYQDCSA-N -1 3 318.340 2.178 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCSC(F)(F)F ZINC001609499770 1077871542 /nfs/dbraw/zinc/87/15/42/1077871542.db2.gz IYBGGFVWOYAAKY-UHFFFAOYSA-N -1 3 314.296 2.403 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCSC(F)(F)F ZINC001609499770 1077871544 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O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cncs1 ZINC001609517708 1077873102 /nfs/dbraw/zinc/87/31/02/1077873102.db2.gz KBOOBLVKNXBVHG-RQOWECAXSA-N -1 3 301.306 2.358 20 30 DEEDHM CCCCN([O-])C(=O)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1 ZINC001654821644 1079978408 /nfs/dbraw/zinc/97/84/08/1079978408.db2.gz KUAHNIXXNKHETJ-CYBMUJFWSA-N -1 3 320.389 2.456 20 30 DEEDHM Cc1nsc([N-]C(=O)c2cn(-c3ccc(C)cc3)nn2)c1C#N ZINC001128422529 1085779043 /nfs/dbraw/zinc/77/90/43/1085779043.db2.gz VSUBEFJAOYVFBS-UHFFFAOYSA-N -1 3 324.369 2.465 20 30 DEEDHM C=CCCC(=O)N1CC(N(CC)C(=O)c2ccccc2[O-])C1 ZINC001079321337 1087853898 /nfs/dbraw/zinc/85/38/98/1087853898.db2.gz LGESBTHMYBATLH-UHFFFAOYSA-N -1 3 302.374 2.031 20 30 DEEDHM CCOC(=O)c1cc(NC(=O)[C@@H](CC#N)c2ccccc2)[n-]n1 ZINC001411991404 1092439602 /nfs/dbraw/zinc/43/96/02/1092439602.db2.gz ZMCYZDLQNFZLBN-LBPRGKRZSA-N -1 3 312.329 2.222 20 30 DEEDHM CCOC(=O)c1cc(NC(=O)[C@@H](CC#N)c2ccccc2)n[n-]1 ZINC001411991404 1092439611 /nfs/dbraw/zinc/43/96/11/1092439611.db2.gz 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C[C@@H](NC(=O)c1cscc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC001589950571 1076532124 /nfs/dbraw/zinc/53/21/24/1076532124.db2.gz HSMOWBVMGAJYPU-SECBINFHSA-N -1 3 324.369 2.291 20 30 DEEDHM CC[C@H](CC#N)OC(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001590419258 1076625381 /nfs/dbraw/zinc/62/53/81/1076625381.db2.gz HIIDFKHOLKDORD-CYBMUJFWSA-N -1 3 311.345 2.134 20 30 DEEDHM CC[C@H](CC#N)OC(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001590419258 1076625384 /nfs/dbraw/zinc/62/53/84/1076625384.db2.gz HIIDFKHOLKDORD-CYBMUJFWSA-N -1 3 311.345 2.134 20 30 DEEDHM CCC(CC)CN(CCC#N)Cc1cc(-c2nnn[n-]2)ccn1 ZINC001590433489 1076627275 /nfs/dbraw/zinc/62/72/75/1076627275.db2.gz BSQJVLGNZWNXGZ-UHFFFAOYSA-N -1 3 313.409 2.414 20 30 DEEDHM CCC(CC)CN(CCC#N)Cc1cc(-c2nn[n-]n2)ccn1 ZINC001590433489 1076627276 /nfs/dbraw/zinc/62/72/76/1076627276.db2.gz BSQJVLGNZWNXGZ-UHFFFAOYSA-N -1 3 313.409 2.414 20 30 DEEDHM CCN(C(=O)C#CC(C)C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001590666662 1076665690 /nfs/dbraw/zinc/66/56/90/1076665690.db2.gz SYRSZRDHWWDCQP-ZDUSSCGKSA-N -1 3 311.389 2.436 20 30 DEEDHM CCN(C(=O)C#CC(C)C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001590666662 1076665693 /nfs/dbraw/zinc/66/56/93/1076665693.db2.gz SYRSZRDHWWDCQP-ZDUSSCGKSA-N -1 3 311.389 2.436 20 30 DEEDHM CCN(CC)C(=S)Sc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590684871 1076668582 /nfs/dbraw/zinc/66/85/82/1076668582.db2.gz JBFGGSDFXWVNBG-UHFFFAOYSA-N -1 3 318.431 2.457 20 30 DEEDHM CCN(CC)C(=S)Sc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590684871 1076668588 /nfs/dbraw/zinc/66/85/88/1076668588.db2.gz JBFGGSDFXWVNBG-UHFFFAOYSA-N -1 3 318.431 2.457 20 30 DEEDHM CN(CC(C)(C)C#N)c1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC001591042432 1076705858 /nfs/dbraw/zinc/70/58/58/1076705858.db2.gz GZPRPLXAURJULY-UHFFFAOYSA-N -1 3 307.361 2.401 20 30 DEEDHM CN(CC(C)(C)C#N)c1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC001591042432 1076705860 /nfs/dbraw/zinc/70/58/60/1076705860.db2.gz GZPRPLXAURJULY-UHFFFAOYSA-N -1 3 307.361 2.401 20 30 DEEDHM CN(Cc1ccc(-c2nnn[n-]2)c(F)c1)[C@@H]1CCC[C@H]1C#N ZINC001591133999 1076711260 /nfs/dbraw/zinc/71/12/60/1076711260.db2.gz MZFIUNJFPLPIGX-SMDDNHRTSA-N -1 3 300.341 2.130 20 30 DEEDHM CN(Cc1ccc(-c2nn[n-]n2)c(F)c1)[C@@H]1CCC[C@H]1C#N ZINC001591133999 1076711263 /nfs/dbraw/zinc/71/12/63/1076711263.db2.gz MZFIUNJFPLPIGX-SMDDNHRTSA-N -1 3 300.341 2.130 20 30 DEEDHM COc1c(O)cccc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001591478563 1076746874 /nfs/dbraw/zinc/74/68/74/1076746874.db2.gz FMLBWTMCLGPPKJ-KTKRTIGZSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1c(O)cccc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001591478563 1076746880 /nfs/dbraw/zinc/74/68/80/1076746880.db2.gz FMLBWTMCLGPPKJ-KTKRTIGZSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1cc(OCc2ccccc2C#N)ccc1-c1nnn[n-]1 ZINC001591553143 1076757318 /nfs/dbraw/zinc/75/73/18/1076757318.db2.gz WTAQLTWUPJUQED-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM COc1cc(OCc2ccccc2C#N)ccc1-c1nn[n-]n1 ZINC001591553143 1076757322 /nfs/dbraw/zinc/75/73/22/1076757322.db2.gz WTAQLTWUPJUQED-UHFFFAOYSA-N -1 3 307.313 2.326 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)OCCCC(C)(C)C#N ZINC001591881431 1076802324 /nfs/dbraw/zinc/80/23/24/1076802324.db2.gz DOVQHSYTMYMEJJ-UHFFFAOYSA-N -1 3 314.349 2.057 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)OCCCC(C)(C)C#N ZINC001591881431 1076802326 /nfs/dbraw/zinc/80/23/26/1076802326.db2.gz DOVQHSYTMYMEJJ-UHFFFAOYSA-N -1 3 314.349 2.057 20 30 DEEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cs1 ZINC001591933208 1076807830 /nfs/dbraw/zinc/80/78/30/1076807830.db2.gz FFMMRJKBGSZODU-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cs1 ZINC001591933208 1076807837 /nfs/dbraw/zinc/80/78/37/1076807837.db2.gz FFMMRJKBGSZODU-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@@H]1C[C@H]1c1ccccc1 ZINC001592341020 1076900730 /nfs/dbraw/zinc/90/07/30/1076900730.db2.gz NWNUTBJCVRDCKX-STQMWFEESA-N -1 3 305.345 2.047 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@@H]1C[C@H]1c1ccccc1 ZINC001592341020 1076900732 /nfs/dbraw/zinc/90/07/32/1076900732.db2.gz NWNUTBJCVRDCKX-STQMWFEESA-N -1 3 305.345 2.047 20 30 DEEDHM N#CC1(CC(=O)Nc2cc(-c3nn[n-]n3)ccc2NC2CC2)CC1 ZINC001592666792 1076948531 /nfs/dbraw/zinc/94/85/31/1076948531.db2.gz KSYSJDOYORZCQY-UHFFFAOYSA-N -1 3 323.360 2.073 20 30 DEEDHM N#C[C@H]1CCCN(Cc2cc(Cl)cc(-c3nnn[n-]3)c2)C1 ZINC001592672439 1076949071 /nfs/dbraw/zinc/94/90/71/1076949071.db2.gz IINOXNIZSXAFHP-SNVBAGLBSA-N -1 3 302.769 2.256 20 30 DEEDHM N#C[C@H]1CCCN(Cc2cc(Cl)cc(-c3nn[n-]n3)c2)C1 ZINC001592672439 1076949075 /nfs/dbraw/zinc/94/90/75/1076949075.db2.gz IINOXNIZSXAFHP-SNVBAGLBSA-N -1 3 302.769 2.256 20 30 DEEDHM N#Cc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1-c1nnn[n-]1 ZINC001592695548 1076953111 /nfs/dbraw/zinc/95/31/11/1076953111.db2.gz UVWABYFQALFWDB-NRUUGDAUSA-N -1 3 308.345 2.113 20 30 DEEDHM N#Cc1ccc(NC(=O)C[C@@H]2CC[C@@H]3C[C@@H]32)cc1-c1nn[n-]n1 ZINC001592695548 1076953114 /nfs/dbraw/zinc/95/31/14/1076953114.db2.gz UVWABYFQALFWDB-NRUUGDAUSA-N -1 3 308.345 2.113 20 30 DEEDHM N#Cc1cc(F)cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592689572 1076953222 /nfs/dbraw/zinc/95/32/22/1076953222.db2.gz LIRYUBXJJNQCCJ-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM N#Cc1cc(F)cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592689572 1076953224 /nfs/dbraw/zinc/95/32/24/1076953224.db2.gz LIRYUBXJJNQCCJ-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCc1ccc(O)cc1 ZINC001592699542 1076955195 /nfs/dbraw/zinc/95/51/95/1076955195.db2.gz DOWGJWYJWXDPED-UHFFFAOYSA-N -1 3 306.329 2.099 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCc1ccc(O)cc1 ZINC001592699542 1076955198 /nfs/dbraw/zinc/95/51/98/1076955198.db2.gz DOWGJWYJWXDPED-UHFFFAOYSA-N -1 3 306.329 2.099 20 30 DEEDHM N#Cc1ccccc1C=CC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC001592703457 1076955313 /nfs/dbraw/zinc/95/53/13/1076955313.db2.gz XVUGRMVVERCXKB-KTKRTIGZSA-N -1 3 316.324 2.390 20 30 DEEDHM N#Cc1ccccc1C=CC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC001592703457 1076955318 /nfs/dbraw/zinc/95/53/18/1076955318.db2.gz XVUGRMVVERCXKB-KTKRTIGZSA-N -1 3 316.324 2.390 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1CCC(C#N)CC1 ZINC001592699726 1076955400 /nfs/dbraw/zinc/95/54/00/1076955400.db2.gz JTIBSHAQESNNJZ-UHFFFAOYSA-N -1 3 307.361 2.480 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1CCC(C#N)CC1 ZINC001592699726 1076955404 /nfs/dbraw/zinc/95/54/04/1076955404.db2.gz JTIBSHAQESNNJZ-UHFFFAOYSA-N -1 3 307.361 2.480 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccnc(Cl)c1 ZINC001592699879 1076956067 /nfs/dbraw/zinc/95/60/67/1076956067.db2.gz QPDZETNBGGTGTN-UHFFFAOYSA-N -1 3 311.736 2.399 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccnc(Cl)c1 ZINC001592699879 1076956069 /nfs/dbraw/zinc/95/60/69/1076956069.db2.gz QPDZETNBGGTGTN-UHFFFAOYSA-N -1 3 311.736 2.399 20 30 DEEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cc[nH]c(=O)c1 ZINC001592791568 1076959972 /nfs/dbraw/zinc/95/99/72/1076959972.db2.gz NTLRCHDHLGVYEU-ONEGZZNKSA-N -1 3 311.276 2.003 20 30 DEEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cc[nH]c(=O)c1 ZINC001592791568 1076959975 /nfs/dbraw/zinc/95/99/75/1076959975.db2.gz NTLRCHDHLGVYEU-ONEGZZNKSA-N -1 3 311.276 2.003 20 30 DEEDHM O=C(C=Cc1cn(C2CCC2)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC001592802806 1076961129 /nfs/dbraw/zinc/96/11/29/1076961129.db2.gz ZMCSMFHMJFCLLX-FPLPWBNLSA-N -1 3 321.344 2.079 20 30 DEEDHM O=C(C=Cc1cn(C2CCC2)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC001592802806 1076961132 /nfs/dbraw/zinc/96/11/32/1076961132.db2.gz ZMCSMFHMJFCLLX-FPLPWBNLSA-N -1 3 321.344 2.079 20 30 DEEDHM c1cc2c(cc1-c1nnn[n-]1)CCCCC2=NNC12CC(C1)C2 ZINC001593565883 1077032395 /nfs/dbraw/zinc/03/23/95/1077032395.db2.gz WHMAYVRSGRDHCU-UHFFFAOYSA-N -1 3 308.389 2.439 20 30 DEEDHM c1cc2c(cc1-c1nn[n-]n1)CCCCC2=NNC12CC(C1)C2 ZINC001593565883 1077032399 /nfs/dbraw/zinc/03/23/99/1077032399.db2.gz WHMAYVRSGRDHCU-UHFFFAOYSA-N -1 3 308.389 2.439 20 30 DEEDHM c1cc(-c2nnn[n-]2)cc2c1CCC2=NNC1CCSCC1 ZINC001593567318 1077032419 /nfs/dbraw/zinc/03/24/19/1077032419.db2.gz XRYRJRXLJAETEO-UHFFFAOYSA-N -1 3 314.418 2.002 20 30 DEEDHM c1cc(-c2nn[n-]n2)cc2c1CCC2=NNC1CCSCC1 ZINC001593567318 1077032424 /nfs/dbraw/zinc/03/24/24/1077032424.db2.gz XRYRJRXLJAETEO-UHFFFAOYSA-N -1 3 314.418 2.002 20 30 DEEDHM N#CC(C(=O)c1c[nH]c(C(=O)[O-])c1)c1cnc2ccccc2n1 ZINC001601047576 1077325544 /nfs/dbraw/zinc/32/55/44/1077325544.db2.gz VDRQUSXYNLWVIZ-JTQLQIEISA-N -1 3 306.281 2.146 20 30 DEEDHM N#CC1(C(=O)[O-])CCN(C[C@H]2CC3(CO2)CCCCC3)CC1 ZINC001601053163 1077326573 /nfs/dbraw/zinc/32/65/73/1077326573.db2.gz RFRKYWCNVZQFLA-CQSZACIVSA-N -1 3 306.406 2.416 20 30 DEEDHM N#Cc1nc(C(=O)[O-])ccc1N[C@H]1CCN(Cc2ccccc2)C1 ZINC001601132558 1077347066 /nfs/dbraw/zinc/34/70/66/1077347066.db2.gz BSKAEHQNKFJHFS-AWEZNQCLSA-N -1 3 322.368 2.338 20 30 DEEDHM O=C([O-])[C@]12CN(CC#Cc3ccccc3Cl)C[C@H]1COCC2 ZINC001602207706 1077525212 /nfs/dbraw/zinc/52/52/12/1077525212.db2.gz JSNVCMLFAHDAJN-WMLDXEAASA-N -1 3 319.788 2.115 20 30 DEEDHM N#Cc1c(CN2CC[C@@H]([C@@H]3CCCO3)C2)cccc1C(=O)[O-] ZINC001608191954 1077606452 /nfs/dbraw/zinc/60/64/52/1077606452.db2.gz RGXJEUIJXWYHOW-CJNGLKHVSA-N -1 3 300.358 2.257 20 30 DEEDHM N#Cc1cccc([C@H](O)CN2CCc3ccc(C(=O)[O-])cc3C2)c1 ZINC001608216239 1077611648 /nfs/dbraw/zinc/61/16/48/1077611648.db2.gz GMYODNKFNFWGKM-GOSISDBHSA-N -1 3 322.364 2.348 20 30 DEEDHM C=C(C)CCOC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001609050998 1077748127 /nfs/dbraw/zinc/74/81/27/1077748127.db2.gz KTUGABLZMRDCDR-UHFFFAOYSA-N -1 3 301.350 2.056 20 30 DEEDHM C=C(C)CCOC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001609050998 1077748129 /nfs/dbraw/zinc/74/81/29/1077748129.db2.gz KTUGABLZMRDCDR-UHFFFAOYSA-N -1 3 301.350 2.056 20 30 DEEDHM C=C(C)CCNc1nn(-c2ccc(-c3nnn[n-]3)cn2)cc1C ZINC001609051030 1077748272 /nfs/dbraw/zinc/74/82/72/1077748272.db2.gz MIWVWQXHYBODEZ-UHFFFAOYSA-N -1 3 310.365 2.134 20 30 DEEDHM C=C(C)CCNc1nn(-c2ccc(-c3nn[n-]n3)cn2)cc1C ZINC001609051030 1077748283 /nfs/dbraw/zinc/74/82/83/1077748283.db2.gz MIWVWQXHYBODEZ-UHFFFAOYSA-N -1 3 310.365 2.134 20 30 DEEDHM C=CCCCCCN(C)C(=O)c1cnccc1-c1nnn[n-]1 ZINC001609053629 1077749272 /nfs/dbraw/zinc/74/92/72/1077749272.db2.gz NUYZGKCJGVSTQI-UHFFFAOYSA-N -1 3 300.366 2.080 20 30 DEEDHM C=CCCCCCN(C)C(=O)c1cnccc1-c1nn[n-]n1 ZINC001609053629 1077749276 /nfs/dbraw/zinc/74/92/76/1077749276.db2.gz NUYZGKCJGVSTQI-UHFFFAOYSA-N -1 3 300.366 2.080 20 30 DEEDHM C=C[C@@H](C)NC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001609052607 1077750140 /nfs/dbraw/zinc/75/01/40/1077750140.db2.gz JSCFSVJRAHKKLF-GHMZBOCLSA-N -1 3 300.366 2.144 20 30 DEEDHM C=C[C@@H](C)NC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001609052607 1077750142 /nfs/dbraw/zinc/75/01/42/1077750142.db2.gz JSCFSVJRAHKKLF-GHMZBOCLSA-N -1 3 300.366 2.144 20 30 DEEDHM COC(=O)c1occc1C=CC(=O)c1ccccc1-c1nnn[n-]1 ZINC001609306949 1077827510 /nfs/dbraw/zinc/82/75/10/1077827510.db2.gz JCLFSDFCPONEOP-SREVYHEPSA-N -1 3 324.296 2.142 20 30 DEEDHM COC(=O)c1occc1C=CC(=O)c1ccccc1-c1nn[n-]n1 ZINC001609306949 1077827514 /nfs/dbraw/zinc/82/75/14/1077827514.db2.gz JCLFSDFCPONEOP-SREVYHEPSA-N -1 3 324.296 2.142 20 30 DEEDHM Cc1cc(OC(=O)c2sccc2-c2nnn[n-]2)ccc1C#N ZINC001609411066 1077854089 /nfs/dbraw/zinc/85/40/89/1077854089.db2.gz NDWKPKRVEKCKGX-UHFFFAOYSA-N -1 3 311.326 2.328 20 30 DEEDHM Fc1cc(-c2nnn[n-]2)cc(F)c1C=NOCCC(F)(F)F ZINC001609487208 1077868956 /nfs/dbraw/zinc/86/89/56/1077868956.db2.gz WLNUDLYQLRDZOP-UHFFFAOYSA-N -1 3 321.209 2.448 20 30 DEEDHM Fc1cc(-c2nn[n-]n2)cc(F)c1C=NOCCC(F)(F)F ZINC001609487208 1077868959 /nfs/dbraw/zinc/86/89/59/1077868959.db2.gz WLNUDLYQLRDZOP-UHFFFAOYSA-N -1 3 321.209 2.448 20 30 DEEDHM N#Cc1ccc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC001609498954 1077871143 /nfs/dbraw/zinc/87/11/43/1077871143.db2.gz AMKAEANNSVRLQP-UHFFFAOYSA-N -1 3 318.340 2.310 20 30 DEEDHM N#Cc1ccc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC001609498954 1077871145 /nfs/dbraw/zinc/87/11/45/1077871145.db2.gz AMKAEANNSVRLQP-UHFFFAOYSA-N -1 3 318.340 2.310 20 30 DEEDHM N#Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1F ZINC001609498964 1077871292 /nfs/dbraw/zinc/87/12/92/1077871292.db2.gz BTFIWZNPOVIJPM-UHFFFAOYSA-N 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C#CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)C1CCCCC1 ZINC000819698348 606498285 /nfs/dbraw/zinc/49/82/85/606498285.db2.gz XIZOVSFHFUZCJX-UHFFFAOYSA-N -1 3 315.402 2.336 20 30 DEEDHM C#CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)C1CCCCC1 ZINC000819698348 606498287 /nfs/dbraw/zinc/49/82/87/606498287.db2.gz XIZOVSFHFUZCJX-UHFFFAOYSA-N -1 3 315.402 2.336 20 30 DEEDHM N#CCCN(Cc1ccc(-c2nnn[n-]2)cc1)Cc1cccnc1 ZINC000822810800 606672090 /nfs/dbraw/zinc/67/20/90/606672090.db2.gz MTDPWEBOJJGGLZ-UHFFFAOYSA-N -1 3 319.372 2.178 20 30 DEEDHM N#CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cccnc1 ZINC000822810800 606672091 /nfs/dbraw/zinc/67/20/91/606672091.db2.gz MTDPWEBOJJGGLZ-UHFFFAOYSA-N -1 3 319.372 2.178 20 30 DEEDHM CC(CC1CCOCC1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000820233548 606860451 /nfs/dbraw/zinc/86/04/51/606860451.db2.gz LABDUSLKGKCDTP-UHFFFAOYSA-N -1 3 300.366 2.471 20 30 DEEDHM CC(CC1CCOCC1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000820233548 606860453 /nfs/dbraw/zinc/86/04/53/606860453.db2.gz LABDUSLKGKCDTP-UHFFFAOYSA-N -1 3 300.366 2.471 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C#C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)c1ccccc1 ZINC001602690656 1069726037 /nfs/dbraw/zinc/72/60/37/1069726037.db2.gz GECXEHRYIPDAIO-LBPRGKRZSA-N -1 3 309.354 2.033 20 30 DEEDHM C#C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)c1ccccc1 ZINC001602690656 1069726053 /nfs/dbraw/zinc/72/60/53/1069726053.db2.gz GECXEHRYIPDAIO-LBPRGKRZSA-N -1 3 309.354 2.033 20 30 DEEDHM C#Cc1cccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC001602741437 1069741225 /nfs/dbraw/zinc/74/12/25/1069741225.db2.gz KUVUEVYTSMVCLI-UHFFFAOYSA-N -1 3 318.340 2.170 20 30 DEEDHM C#Cc1cccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC001602741437 1069741233 /nfs/dbraw/zinc/74/12/33/1069741233.db2.gz KUVUEVYTSMVCLI-UHFFFAOYSA-N -1 3 318.340 2.170 20 30 DEEDHM C=C(C)COC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC001602762855 1069749974 /nfs/dbraw/zinc/74/99/74/1069749974.db2.gz LQSGIMZALMDDLH-AWEZNQCLSA-N -1 3 316.361 2.389 20 30 DEEDHM C=C(C)COC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC001602762855 1069749979 /nfs/dbraw/zinc/74/99/79/1069749979.db2.gz LQSGIMZALMDDLH-AWEZNQCLSA-N -1 3 316.361 2.389 20 30 DEEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602822911 1069765642 /nfs/dbraw/zinc/76/56/42/1069765642.db2.gz FUZQWAVZBYOFGQ-JTQLQIEISA-N -1 3 302.313 2.188 20 30 DEEDHM C=CC[C@H]1CCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602822911 1069765652 /nfs/dbraw/zinc/76/56/52/1069765652.db2.gz FUZQWAVZBYOFGQ-JTQLQIEISA-N -1 3 302.313 2.188 20 30 DEEDHM C=CCN(C(=O)[C@@H](C)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001602847061 1069776946 /nfs/dbraw/zinc/77/69/46/1069776946.db2.gz HOHMNNWWVQIFIX-ZDUSSCGKSA-N -1 3 313.405 2.468 20 30 DEEDHM C=CCN(C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001602847061 1069776950 /nfs/dbraw/zinc/77/69/50/1069776950.db2.gz HOHMNNWWVQIFIX-ZDUSSCGKSA-N -1 3 313.405 2.468 20 30 DEEDHM CC#CCCCC(=O)OCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602893936 1069789710 /nfs/dbraw/zinc/78/97/10/1069789710.db2.gz LGXXTUCQAJBSRX-UHFFFAOYSA-N -1 3 302.309 2.243 20 30 DEEDHM CC#CCCCC(=O)OCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602893936 1069789716 /nfs/dbraw/zinc/78/97/16/1069789716.db2.gz LGXXTUCQAJBSRX-UHFFFAOYSA-N -1 3 302.309 2.243 20 30 DEEDHM CC(=NNC1CCSCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602906391 1069790746 /nfs/dbraw/zinc/79/07/46/1069790746.db2.gz ODUDBMVADRXPJL-UHFFFAOYSA-N -1 3 320.397 2.215 20 30 DEEDHM CC(=NNC1CCSCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602906391 1069790754 /nfs/dbraw/zinc/79/07/54/1069790754.db2.gz ODUDBMVADRXPJL-UHFFFAOYSA-N -1 3 320.397 2.215 20 30 DEEDHM CC(C)(C)c1nc(-c2nnn[n-]2)c(NNC=C2CC2(F)F)o1 ZINC001603122418 1069876681 /nfs/dbraw/zinc/87/66/81/1069876681.db2.gz KMOJNURXUXDSBX-LURJTMIESA-N -1 3 311.296 2.205 20 30 DEEDHM CC(C)(C)c1nc(-c2nn[n-]n2)c(NNC=C2CC2(F)F)o1 ZINC001603122418 1069876699 /nfs/dbraw/zinc/87/66/99/1069876699.db2.gz KMOJNURXUXDSBX-LURJTMIESA-N -1 3 311.296 2.205 20 30 DEEDHM CC(C)CN(C(=O)[C@H](C)CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC001603284722 1069931416 /nfs/dbraw/zinc/93/14/16/1069931416.db2.gz MCAHYEXVECKDRL-GFCCVEGCSA-N -1 3 312.377 2.405 20 30 DEEDHM CC(C)CN(C(=O)[C@H](C)CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC001603284722 1069931422 /nfs/dbraw/zinc/93/14/22/1069931422.db2.gz MCAHYEXVECKDRL-GFCCVEGCSA-N -1 3 312.377 2.405 20 30 DEEDHM C[C@H]([NH2+]CC(C)(C)CC#N)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001603657652 1070024153 /nfs/dbraw/zinc/02/41/53/1070024153.db2.gz KXHDYOXDWBFUET-JTQLQIEISA-N -1 3 300.366 2.163 20 30 DEEDHM C[C@@H]1CCCCN1N=Cc1c(F)cc(-c2nnn[n-]2)cc1F ZINC001603894612 1070142014 /nfs/dbraw/zinc/14/20/14/1070142014.db2.gz HAASBELTCHPWAG-SECBINFHSA-N -1 3 306.320 2.353 20 30 DEEDHM C[C@@H]1CCCCN1N=Cc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001603894612 1070142017 /nfs/dbraw/zinc/14/20/17/1070142017.db2.gz HAASBELTCHPWAG-SECBINFHSA-N -1 3 306.320 2.353 20 30 DEEDHM C[C@@H](Cc1ccc(NC(=O)[C@@H](N)CCCCC#N)cc1)C(=O)[O-] ZINC001604225219 1070284209 /nfs/dbraw/zinc/28/42/09/1070284209.db2.gz QZHXDDOVJNMXMR-WFASDCNBSA-N -1 3 317.389 2.300 20 30 DEEDHM C[C@@H]1CN(CCC(=O)[O-])CCN1Cc1ccc(C#N)cc1Cl ZINC001604794061 1070495956 /nfs/dbraw/zinc/49/59/56/1070495956.db2.gz JDIWYUHNZFJYFN-GFCCVEGCSA-N -1 3 321.808 2.192 20 30 DEEDHM COc1cc(C=NOCc2ccccc2)ccc1-c1nnn[n-]1 ZINC001605205876 1070642987 /nfs/dbraw/zinc/64/29/87/1070642987.db2.gz SMCYBJYRIJSLNX-UHFFFAOYSA-N -1 3 309.329 2.426 20 30 DEEDHM COc1cc(C=NOCc2ccccc2)ccc1-c1nn[n-]n1 ZINC001605205876 1070642996 /nfs/dbraw/zinc/64/29/96/1070642996.db2.gz SMCYBJYRIJSLNX-UHFFFAOYSA-N -1 3 309.329 2.426 20 30 DEEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1O ZINC001605255068 1070662284 /nfs/dbraw/zinc/66/22/84/1070662284.db2.gz DBZWMBQMNKTVCA-SOFGYWHQSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1O ZINC001605255068 1070662288 /nfs/dbraw/zinc/66/22/88/1070662288.db2.gz DBZWMBQMNKTVCA-SOFGYWHQSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1C#N ZINC001605301072 1070674875 /nfs/dbraw/zinc/67/48/75/1070674875.db2.gz HCPOVQYQJFRUOK-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1C#N ZINC001605301072 1070674880 /nfs/dbraw/zinc/67/48/80/1070674880.db2.gz HCPOVQYQJFRUOK-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM C[Si](C)(C)C#CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001605451827 1070718946 /nfs/dbraw/zinc/71/89/46/1070718946.db2.gz YVHCOGRPXQFWIY-UHFFFAOYSA-N -1 3 316.397 2.068 20 30 DEEDHM C[Si](C)(C)C#CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001605451827 1070718959 /nfs/dbraw/zinc/71/89/59/1070718959.db2.gz YVHCOGRPXQFWIY-UHFFFAOYSA-N -1 3 316.397 2.068 20 30 DEEDHM Cc1cc(NC(=O)C#Cc2cccs2)cc(-c2nnn[n-]2)c1 ZINC001605701821 1070857708 /nfs/dbraw/zinc/85/77/08/1070857708.db2.gz OKCYDGAGPPIFNN-UHFFFAOYSA-N -1 3 309.354 2.227 20 30 DEEDHM Cc1cc(NC(=O)C#Cc2cccs2)cc(-c2nn[n-]n2)c1 ZINC001605701821 1070857736 /nfs/dbraw/zinc/85/77/36/1070857736.db2.gz OKCYDGAGPPIFNN-UHFFFAOYSA-N -1 3 309.354 2.227 20 30 DEEDHM Cc1nc(NCCc2ccc(-c3nnn[n-]3)cc2)ccc1C#N ZINC001606074496 1071036115 /nfs/dbraw/zinc/03/61/15/1071036115.db2.gz NGHASFMOVNFZOC-UHFFFAOYSA-N -1 3 305.345 2.096 20 30 DEEDHM Cc1nc(NCCc2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001606074496 1071036124 /nfs/dbraw/zinc/03/61/24/1071036124.db2.gz NGHASFMOVNFZOC-UHFFFAOYSA-N -1 3 305.345 2.096 20 30 DEEDHM CN1CCN(c2ccc(C(=O)[O-])nc2C#N)CC12CCCCC2 ZINC001606245926 1071094271 /nfs/dbraw/zinc/09/42/71/1071094271.db2.gz YTKHVAOBWCNXBO-UHFFFAOYSA-N -1 3 314.389 2.106 20 30 DEEDHM N#C[C@H]1CCC[C@H](OC(=O)c2cscc2-c2nnn[n-]2)C1 ZINC001606344403 1071128658 /nfs/dbraw/zinc/12/86/58/1071128658.db2.gz LCTMWUDUSOSXTG-IUCAKERBSA-N -1 3 303.347 2.167 20 30 DEEDHM N#C[C@H]1CCC[C@H](OC(=O)c2cscc2-c2nn[n-]n2)C1 ZINC001606344403 1071128663 /nfs/dbraw/zinc/12/86/63/1071128663.db2.gz LCTMWUDUSOSXTG-IUCAKERBSA-N -1 3 303.347 2.167 20 30 DEEDHM N#Cc1cc(NC(=O)[C@@H]2CCC[C@@H](F)C2)ccc1-c1nnn[n-]1 ZINC001606361370 1071133744 /nfs/dbraw/zinc/13/37/44/1071133744.db2.gz OYUGYZFFNDQZGK-MWLCHTKSSA-N -1 3 314.324 2.205 20 30 DEEDHM N#Cc1cc(NC(=O)[C@@H]2CCC[C@@H](F)C2)ccc1-c1nn[n-]n1 ZINC001606361370 1071133746 /nfs/dbraw/zinc/13/37/46/1071133746.db2.gz OYUGYZFFNDQZGK-MWLCHTKSSA-N -1 3 314.324 2.205 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1CCSCC1 ZINC001606379492 1071136751 /nfs/dbraw/zinc/13/67/51/1071136751.db2.gz ASNFDCQPRNWFJI-UHFFFAOYSA-N -1 3 300.391 2.293 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1CCSCC1 ZINC001606379492 1071136756 /nfs/dbraw/zinc/13/67/56/1071136756.db2.gz ASNFDCQPRNWFJI-UHFFFAOYSA-N -1 3 300.391 2.293 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCCC1SCCS1 ZINC001606379503 1071137460 /nfs/dbraw/zinc/13/74/60/1071137460.db2.gz BJSPDGNBZAEKRP-UHFFFAOYSA-N -1 3 318.431 2.346 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCC1SCCS1 ZINC001606379503 1071137462 /nfs/dbraw/zinc/13/74/62/1071137462.db2.gz BJSPDGNBZAEKRP-UHFFFAOYSA-N -1 3 318.431 2.346 20 30 DEEDHM C=C[C@](C)(CC)C(=O)NC[C@@H](C)CNC(=O)c1ccccc1[O-] ZINC001532118397 1071621541 /nfs/dbraw/zinc/62/15/41/1071621541.db2.gz URBMICDYZWPJGT-SCLBCKFNSA-N -1 3 318.417 2.477 20 30 DEEDHM N#CCCCCCC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001460789587 1058508153 /nfs/dbraw/zinc/50/81/53/1058508153.db2.gz ULOVCABYAZPYPA-UHFFFAOYSA-N -1 3 302.313 2.418 20 30 DEEDHM N#CCCCCCC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001460789587 1058508177 /nfs/dbraw/zinc/50/81/77/1058508177.db2.gz ULOVCABYAZPYPA-UHFFFAOYSA-N -1 3 302.313 2.418 20 30 DEEDHM N#CC[C@H](C(=O)N1CCCc2c(=O)[n-]cnc21)c1ccccc1 ZINC001462325211 1058804642 /nfs/dbraw/zinc/80/46/42/1058804642.db2.gz WEBNVZTYRIWOHZ-ZDUSSCGKSA-N -1 3 308.341 2.159 20 30 DEEDHM C=CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C#N)CC(C)C)c1 ZINC001464671511 1059177725 /nfs/dbraw/zinc/17/77/25/1059177725.db2.gz XBZRCGALWYCYOG-GFCCVEGCSA-N -1 3 301.346 2.185 20 30 DEEDHM C#CCOc1ccccc1CNC(=O)Cc1ccc([O-])c(F)c1 ZINC001465188512 1059261992 /nfs/dbraw/zinc/26/19/92/1059261992.db2.gz FWXAHTJJHYVCRE-UHFFFAOYSA-N -1 3 313.328 2.402 20 30 DEEDHM N#Cc1ccc(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)c(F)c1 ZINC001468757114 1059845369 /nfs/dbraw/zinc/84/53/69/1059845369.db2.gz YGEPTWZRMGUNHD-UHFFFAOYSA-N -1 3 322.303 2.054 20 30 DEEDHM N#Cc1ccc(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)c(F)c1 ZINC001468757114 1059845391 /nfs/dbraw/zinc/84/53/91/1059845391.db2.gz YGEPTWZRMGUNHD-UHFFFAOYSA-N -1 3 322.303 2.054 20 30 DEEDHM FC(F)(F)c1ccc(C#CCN2CC[C@@H](c3nnn[n-]3)C2)cc1 ZINC001620535799 1078165006 /nfs/dbraw/zinc/16/50/06/1078165006.db2.gz AJWMUZBUFJFHTN-GFCCVEGCSA-N -1 3 321.306 2.060 20 30 DEEDHM FC(F)(F)c1ccc(C#CCN2CC[C@@H](c3nn[n-]n3)C2)cc1 ZINC001620535799 1078165009 /nfs/dbraw/zinc/16/50/09/1078165009.db2.gz AJWMUZBUFJFHTN-GFCCVEGCSA-N -1 3 321.306 2.060 20 30 DEEDHM C#C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(F)cc1 ZINC001569486431 1065537151 /nfs/dbraw/zinc/53/71/51/1065537151.db2.gz XKIMGTYDXKKMTK-ZDUSSCGKSA-N -1 3 311.316 2.303 20 30 DEEDHM C=C[C@@H](CC)CC(=O)N1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001577883732 1066941102 /nfs/dbraw/zinc/94/11/02/1066941102.db2.gz NAWBZMMESWWEDB-UONOGXRCSA-N -1 3 316.401 2.325 20 30 DEEDHM N#Cc1ccc(NCC(=O)Nc2c([O-])cccc2Cl)nc1 ZINC001637677211 1078528713 /nfs/dbraw/zinc/52/87/13/1078528713.db2.gz CVMZXHURRVRCMN-UHFFFAOYSA-N -1 3 302.721 2.363 20 30 DEEDHM C[C@H](CNC(=O)c1ccccc1[O-])N(C)C(=O)C#CC(C)(C)C ZINC001571808331 1068532976 /nfs/dbraw/zinc/53/29/76/1068532976.db2.gz YZUZEHODTQINNW-CYBMUJFWSA-N -1 3 316.401 2.018 20 30 DEEDHM C=CCCC(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])C(C)(C)C1 ZINC001571973970 1068598496 /nfs/dbraw/zinc/59/84/96/1068598496.db2.gz LUCNYTSXWRTJQQ-OAHLLOKOSA-N -1 3 316.401 2.325 20 30 DEEDHM O=C(C#Cc1cccs1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001643954651 1078822611 /nfs/dbraw/zinc/82/26/11/1078822611.db2.gz CPLWEPVJCNTVPJ-UHFFFAOYSA-N -1 3 311.366 2.015 20 30 DEEDHM C=C(C)CN(C)c1nnc(-c2ccc(-c3nnn[n-]3)cc2)n1CC ZINC001520981571 1069195627 /nfs/dbraw/zinc/19/56/27/1069195627.db2.gz WAIOJDCZJKWJMU-UHFFFAOYSA-N -1 3 324.392 2.157 20 30 DEEDHM C=C(C)CN(C)c1nnc(-c2ccc(-c3nn[n-]n3)cc2)n1CC ZINC001520981571 1069195631 /nfs/dbraw/zinc/19/56/31/1069195631.db2.gz WAIOJDCZJKWJMU-UHFFFAOYSA-N -1 3 324.392 2.157 20 30 DEEDHM C#C[C@H](NC(=O)c1ccc(OCCCC)cc1[O-])[C@H]1CCCO1 ZINC001558968562 1075110082 /nfs/dbraw/zinc/11/00/82/1075110082.db2.gz VALKLZKWGFFIDL-DOTOQJQBSA-N -1 3 317.385 2.482 20 30 DEEDHM CCCCCCN([O-])C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001559034649 1075111479 /nfs/dbraw/zinc/11/14/79/1075111479.db2.gz JSUHATZHHOCSOT-UHFFFAOYSA-N -1 3 323.349 2.123 20 30 DEEDHM C=C(C)C[C@H]([N-]S(=O)(=O)CCCC(C)(C)C)C(=O)OC ZINC001561829513 1075155672 /nfs/dbraw/zinc/15/56/72/1075155672.db2.gz QVAVQZCDIHTSBW-LBPRGKRZSA-N -1 3 305.440 2.240 20 30 DEEDHM Cc1ccc(-c2nnn[n-]2)c(N[C@H]2Cc3ccc(C#N)cc3C2)n1 ZINC001581105976 1076043155 /nfs/dbraw/zinc/04/31/55/1076043155.db2.gz MKUAXXFZTMZOKI-AWEZNQCLSA-N -1 3 317.356 2.021 20 30 DEEDHM Cc1ccc(-c2nn[n-]n2)c(N[C@H]2Cc3ccc(C#N)cc3C2)n1 ZINC001581105976 1076043158 /nfs/dbraw/zinc/04/31/58/1076043158.db2.gz MKUAXXFZTMZOKI-AWEZNQCLSA-N -1 3 317.356 2.021 20 30 DEEDHM Cc1ccc(C#N)c(N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)n1 ZINC001581138507 1076044364 /nfs/dbraw/zinc/04/43/64/1076044364.db2.gz ZKGOXIFTSCKVOX-HNNXBMFYSA-N -1 3 317.356 2.021 20 30 DEEDHM Cc1ccc(C#N)c(N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)n1 ZINC001581138507 1076044368 /nfs/dbraw/zinc/04/43/68/1076044368.db2.gz ZKGOXIFTSCKVOX-HNNXBMFYSA-N -1 3 317.356 2.021 20 30 DEEDHM N#Cc1cc(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)cs1 ZINC001581864820 1076105169 /nfs/dbraw/zinc/10/51/69/1076105169.db2.gz PZEZFDKDTTYQLT-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1cc(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)cs1 ZINC001581864820 1076105176 /nfs/dbraw/zinc/10/51/76/1076105176.db2.gz PZEZFDKDTTYQLT-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1ccc2c(c1)N(C(=O)c1csc(-c3nnn[n-]3)c1)CC2 ZINC001581874515 1076106969 /nfs/dbraw/zinc/10/69/69/1076106969.db2.gz UWJUIGMDARYBJT-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM C#C[C@H](C)N(C)c1ccc(-c2nn[n-]n2)c(Br)c1F ZINC001588325892 1076440099 /nfs/dbraw/zinc/44/00/99/1076440099.db2.gz YRXFPNIWKFNGHC-ZETCQYMHSA-N -1 3 324.157 2.226 20 30 DEEDHM C#C[C@H](CCC)NC(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588327404 1076439778 /nfs/dbraw/zinc/43/97/78/1076439778.db2.gz INLKEABLDLPJGC-BXUZGUMPSA-N -1 3 312.377 2.029 20 30 DEEDHM C#C[C@H](CCC)NC(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588327404 1076439780 /nfs/dbraw/zinc/43/97/80/1076439780.db2.gz INLKEABLDLPJGC-BXUZGUMPSA-N -1 3 312.377 2.029 20 30 DEEDHM C#C[C@H](C)N(C)c1ccc(-c2nnn[n-]2)c(Br)c1F ZINC001588325892 1076440098 /nfs/dbraw/zinc/44/00/98/1076440098.db2.gz YRXFPNIWKFNGHC-ZETCQYMHSA-N -1 3 324.157 2.226 20 30 DEEDHM C#CC[C@@H](CCOC)Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC001588330991 1076441331 /nfs/dbraw/zinc/44/13/31/1076441331.db2.gz IESQTVBJFBAEHL-AWEZNQCLSA-N -1 3 322.372 2.255 20 30 DEEDHM C#CC[C@@H](CCOC)Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC001588330991 1076441335 /nfs/dbraw/zinc/44/13/35/1076441335.db2.gz IESQTVBJFBAEHL-AWEZNQCLSA-N -1 3 322.372 2.255 20 30 DEEDHM C#CCOc1cccc(Oc2ccc(-c3nnn[n-]3)c(C)n2)c1 ZINC001588363159 1076443252 /nfs/dbraw/zinc/44/32/52/1076443252.db2.gz 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3 317.296 2.119 20 30 DEEDHM C=CCOCCSCc1cc(-c2nnn[n-]2)ccc1OC ZINC001588689830 1076460499 /nfs/dbraw/zinc/46/04/99/1076460499.db2.gz RUNPCKBKQQPZQD-UHFFFAOYSA-N -1 3 306.391 2.311 20 30 DEEDHM C=CCOCCSCc1cc(-c2nn[n-]n2)ccc1OC ZINC001588689830 1076460503 /nfs/dbraw/zinc/46/05/03/1076460503.db2.gz RUNPCKBKQQPZQD-UHFFFAOYSA-N -1 3 306.391 2.311 20 30 DEEDHM C=CCSCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588695585 1076461679 /nfs/dbraw/zinc/46/16/79/1076461679.db2.gz XFOXUNHOHLHQEN-UHFFFAOYSA-N -1 3 306.351 2.106 20 30 DEEDHM C=CCSCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588695585 1076461682 /nfs/dbraw/zinc/46/16/82/1076461682.db2.gz XFOXUNHOHLHQEN-UHFFFAOYSA-N -1 3 306.351 2.106 20 30 DEEDHM CC#CCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC001588746807 1076463012 /nfs/dbraw/zinc/46/30/12/1076463012.db2.gz XDIUNUVRCOCTBX-UHFFFAOYSA-N -1 3 323.316 2.148 20 30 DEEDHM CC#CCCNc1cc(-c2nn[n-]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC001588746807 1076463014 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ZINC001609341490 1077836558 /nfs/dbraw/zinc/83/65/58/1077836558.db2.gz TURZGHNQBCLXAR-UHFFFAOYSA-N -1 3 312.308 2.460 20 30 DEEDHM Cc1c2ccccc2nc(N(C)C[C@H](C)C#N)c1-c1nnn[n-]1 ZINC001609379076 1077845490 /nfs/dbraw/zinc/84/54/90/1077845490.db2.gz QNNBIXAHXLHBDV-SNVBAGLBSA-N -1 3 307.361 2.319 20 30 DEEDHM Cc1c2ccccc2nc(N(C)C[C@H](C)C#N)c1-c1nn[n-]n1 ZINC001609379076 1077845495 /nfs/dbraw/zinc/84/54/95/1077845495.db2.gz QNNBIXAHXLHBDV-SNVBAGLBSA-N -1 3 307.361 2.319 20 30 DEEDHM N#Cc1ccc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC001609499197 1077871314 /nfs/dbraw/zinc/87/13/14/1077871314.db2.gz YCHFNWKVKBIHFH-UHFFFAOYSA-N -1 3 322.303 2.059 20 30 DEEDHM N#Cc1ccc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC001609499197 1077871316 /nfs/dbraw/zinc/87/13/16/1077871316.db2.gz YCHFNWKVKBIHFH-UHFFFAOYSA-N -1 3 322.303 2.059 20 30 DEEDHM N#Cc1ccc2c(c1)NC(=O)C2=Cc1ccccc1-c1nnn[n-]1 ZINC001609499426 1077871681 /nfs/dbraw/zinc/87/16/81/1077871681.db2.gz ONKBWFUPIJDDFW-ZSOIEALJSA-N -1 3 314.308 2.231 20 30 DEEDHM N#Cc1ccc2c(c1)NC(=O)C2=Cc1ccccc1-c1nn[n-]n1 ZINC001609499426 1077871682 /nfs/dbraw/zinc/87/16/82/1077871682.db2.gz ONKBWFUPIJDDFW-ZSOIEALJSA-N -1 3 314.308 2.231 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCCCS1 ZINC001609500008 1077872157 /nfs/dbraw/zinc/87/21/57/1077872157.db2.gz URCFKFBSVHTNBB-NSHDSACASA-N -1 3 300.391 2.436 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCCCS1 ZINC001609500008 1077872160 /nfs/dbraw/zinc/87/21/60/1077872160.db2.gz URCFKFBSVHTNBB-NSHDSACASA-N -1 3 300.391 2.436 20 30 DEEDHM CCCCN([O-])C(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC001651229824 1079796789 /nfs/dbraw/zinc/79/67/89/1079796789.db2.gz YNBZQFSDIQSAJG-JTQLQIEISA-N -1 3 312.316 2.336 20 30 DEEDHM O=C(c1ccc2nncn2c1)N([O-])Cc1ccccc1Cl ZINC001654814285 1079977776 /nfs/dbraw/zinc/97/77/76/1079977776.db2.gz QLLCHFJJUOAVKB-UHFFFAOYSA-N -1 3 302.721 2.414 20 30 DEEDHM N#Cc1ccc([N+](=O)[O-])c(NCc2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001655852894 1080020926 /nfs/dbraw/zinc/02/09/26/1080020926.db2.gz 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DEEDHM C=C(CC(C)C)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588442175 1076448659 /nfs/dbraw/zinc/44/86/59/1076448659.db2.gz LCABBYQCXALINY-UHFFFAOYSA-N -1 3 315.377 2.094 20 30 DEEDHM C=C(CC(C)C)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588442175 1076448663 /nfs/dbraw/zinc/44/86/63/1076448663.db2.gz LCABBYQCXALINY-UHFFFAOYSA-N -1 3 315.377 2.094 20 30 DEEDHM C=C(CSc1c(C)cccc1-c1nnn[n-]1)C(=O)OCC ZINC001588449458 1076449311 /nfs/dbraw/zinc/44/93/11/1076449311.db2.gz OSWXWDHCPZXAST-UHFFFAOYSA-N -1 3 304.375 2.387 20 30 DEEDHM C=C(CSc1c(C)cccc1-c1nn[n-]n1)C(=O)OCC ZINC001588449458 1076449313 /nfs/dbraw/zinc/44/93/13/1076449313.db2.gz OSWXWDHCPZXAST-UHFFFAOYSA-N -1 3 304.375 2.387 20 30 DEEDHM C=C1CCN(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001588462749 1076449541 /nfs/dbraw/zinc/44/95/41/1076449541.db2.gz QNSIXNCMXRYBAB-UHFFFAOYSA-N -1 3 302.313 2.190 20 30 DEEDHM C=C1CCN(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001588462749 1076449543 /nfs/dbraw/zinc/44/95/43/1076449543.db2.gz 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ZINC001590651578 1076664832 /nfs/dbraw/zinc/66/48/32/1076664832.db2.gz AKVYNIPPKOPSRL-UHFFFAOYSA-N -1 3 304.423 2.475 20 30 DEEDHM CCCSCC(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001590651578 1076664835 /nfs/dbraw/zinc/66/48/35/1076664835.db2.gz AKVYNIPPKOPSRL-UHFFFAOYSA-N -1 3 304.423 2.475 20 30 DEEDHM CCn1cc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001590949658 1076698285 /nfs/dbraw/zinc/69/82/85/1076698285.db2.gz IZKGSUBZVCWOHE-SREVYHEPSA-N -1 3 312.308 2.118 20 30 DEEDHM CCn1cc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001590949658 1076698286 /nfs/dbraw/zinc/69/82/86/1076698286.db2.gz IZKGSUBZVCWOHE-SREVYHEPSA-N -1 3 312.308 2.118 20 30 DEEDHM CN(C(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(C#N)c1 ZINC001590995082 1076701705 /nfs/dbraw/zinc/70/17/05/1076701705.db2.gz PQLKRFUXUVCKAR-UHFFFAOYSA-N -1 3 304.313 2.015 20 30 DEEDHM CN(C(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(C#N)c1 ZINC001590995082 1076701707 /nfs/dbraw/zinc/70/17/07/1076701707.db2.gz PQLKRFUXUVCKAR-UHFFFAOYSA-N -1 3 304.313 2.015 20 30 DEEDHM 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ZINC001591862620 1076797366 /nfs/dbraw/zinc/79/73/66/1076797366.db2.gz JAXUHNHUADZVQM-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1cc(C(=O)N2CCC[C@](C)(C#N)C2)cc(C)c1-c1nnn[n-]1 ZINC001591913898 1076807062 /nfs/dbraw/zinc/80/70/62/1076807062.db2.gz BRYWTMXXUCHJEK-QGZVFWFLSA-N -1 3 324.388 2.249 20 30 DEEDHM Cc1cc(C(=O)N2CCC[C@](C)(C#N)C2)cc(C)c1-c1nn[n-]n1 ZINC001591913898 1076807066 /nfs/dbraw/zinc/80/70/66/1076807066.db2.gz BRYWTMXXUCHJEK-QGZVFWFLSA-N -1 3 324.388 2.249 20 30 DEEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(OCCO[C@H](C)C#N)c2c1 ZINC001592210030 1076876120 /nfs/dbraw/zinc/87/61/20/1076876120.db2.gz LWZPDUQIUUCIML-LLVKDONJSA-N -1 3 324.344 2.031 20 30 DEEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(OCCO[C@H](C)C#N)c2c1 ZINC001592210030 1076876124 /nfs/dbraw/zinc/87/61/24/1076876124.db2.gz LWZPDUQIUUCIML-LLVKDONJSA-N -1 3 324.344 2.031 20 30 DEEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N1CC[C@@](C)(C#N)C1 ZINC001592241921 1076880541 /nfs/dbraw/zinc/88/05/41/1076880541.db2.gz HMZYYJORESFMJO-KRWDZBQOSA-N -1 3 319.372 2.463 20 30 DEEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N1CC[C@@](C)(C#N)C1 ZINC001592241921 1076880546 /nfs/dbraw/zinc/88/05/46/1076880546.db2.gz HMZYYJORESFMJO-KRWDZBQOSA-N -1 3 319.372 2.463 20 30 DEEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCC(C)(C)CC#N)n1 ZINC001592353187 1076901555 /nfs/dbraw/zinc/90/15/55/1076901555.db2.gz HWMCKVJXUPHGHL-UHFFFAOYSA-N -1 3 303.395 2.306 20 30 DEEDHM Cc1nc(C)c(-c2nn[n-]n2)c(SCC(C)(C)CC#N)n1 ZINC001592353187 1076901558 /nfs/dbraw/zinc/90/15/58/1076901558.db2.gz HWMCKVJXUPHGHL-UHFFFAOYSA-N -1 3 303.395 2.306 20 30 DEEDHM Cn1nccc1NN=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592607356 1076931926 /nfs/dbraw/zinc/93/19/26/1076931926.db2.gz ZPWTTZOVCAPPEP-UHFFFAOYSA-N -1 3 322.376 2.143 20 30 DEEDHM Cn1nccc1NN=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592607356 1076931930 /nfs/dbraw/zinc/93/19/30/1076931930.db2.gz ZPWTTZOVCAPPEP-UHFFFAOYSA-N -1 3 322.376 2.143 20 30 DEEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CCC2)no1 ZINC001592670229 1076949596 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N#CCCNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC001592677521 1076951747 /nfs/dbraw/zinc/95/17/47/1076951747.db2.gz CASOBBMSJHRJHU-UHFFFAOYSA-N -1 3 301.260 2.019 20 30 DEEDHM N#CCCNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC001592677521 1076951753 /nfs/dbraw/zinc/95/17/53/1076951753.db2.gz CASOBBMSJHRJHU-UHFFFAOYSA-N -1 3 301.260 2.019 20 30 DEEDHM N#Cc1c(NCCF)nc2c(c1-c1nnn[n-]1)CCCCCC2 ZINC001592685479 1076951964 /nfs/dbraw/zinc/95/19/64/1076951964.db2.gz ULDHFVUCXYEAGP-UHFFFAOYSA-N -1 3 315.356 2.174 20 30 DEEDHM N#Cc1c(NCCF)nc2c(c1-c1nn[n-]n1)CCCCCC2 ZINC001592685479 1076951969 /nfs/dbraw/zinc/95/19/69/1076951969.db2.gz ULDHFVUCXYEAGP-UHFFFAOYSA-N -1 3 315.356 2.174 20 30 DEEDHM N#Cc1cc(Oc2ccccc2-c2nnn[n-]2)nc(C2CC2)n1 ZINC001592689806 1076953392 /nfs/dbraw/zinc/95/33/92/1076953392.db2.gz CBTCLBNDKQUDOT-UHFFFAOYSA-N -1 3 305.301 2.198 20 30 DEEDHM N#Cc1cc(Oc2ccccc2-c2nn[n-]n2)nc(C2CC2)n1 ZINC001592689806 1076953395 /nfs/dbraw/zinc/95/33/95/1076953395.db2.gz CBTCLBNDKQUDOT-UHFFFAOYSA-N -1 3 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1077607050 /nfs/dbraw/zinc/60/70/50/1077607050.db2.gz FKUNRUJWFQXIEX-INIZCTEOSA-N -1 3 320.414 2.202 20 30 DEEDHM C#Cc1cccc(NC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001609021989 1077743666 /nfs/dbraw/zinc/74/36/66/1077743666.db2.gz PKBVPTFAMGUXEZ-UHFFFAOYSA-N -1 3 304.313 2.492 20 30 DEEDHM C#Cc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001609021989 1077743670 /nfs/dbraw/zinc/74/36/70/1077743670.db2.gz PKBVPTFAMGUXEZ-UHFFFAOYSA-N -1 3 304.313 2.492 20 30 DEEDHM C=CC(C)(C)CNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001609052232 1077750169 /nfs/dbraw/zinc/75/01/69/1077750169.db2.gz SGAPWDQPABTYRS-UHFFFAOYSA-N -1 3 304.329 2.340 20 30 DEEDHM C=CC(C)(C)CNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001609052232 1077750171 /nfs/dbraw/zinc/75/01/71/1077750171.db2.gz SGAPWDQPABTYRS-UHFFFAOYSA-N -1 3 304.329 2.340 20 30 DEEDHM C=C[C@](C)(CC)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001609052388 1077750216 /nfs/dbraw/zinc/75/02/16/1077750216.db2.gz ZYEFYSSMMNIMSP-OAHLLOKOSA-N -1 3 302.334 2.383 20 30 DEEDHM C=C[C@](C)(CC)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001609052388 1077750221 /nfs/dbraw/zinc/75/02/21/1077750221.db2.gz ZYEFYSSMMNIMSP-OAHLLOKOSA-N -1 3 302.334 2.383 20 30 DEEDHM C=CCN(C)C(=O)N[C@@H]1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001609055906 1077751298 /nfs/dbraw/zinc/75/12/98/1077751298.db2.gz DJJUYIQIEYAPLR-CQSZACIVSA-N -1 3 312.377 2.072 20 30 DEEDHM C=CCN(C)C(=O)N[C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001609055906 1077751302 /nfs/dbraw/zinc/75/13/02/1077751302.db2.gz DJJUYIQIEYAPLR-CQSZACIVSA-N -1 3 312.377 2.072 20 30 DEEDHM CC(C)(CCC#N)CNC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001609082931 1077755729 /nfs/dbraw/zinc/75/57/29/1077755729.db2.gz MJDHZQQHVGVLJT-UHFFFAOYSA-N -1 3 316.340 2.066 20 30 DEEDHM CC(C)(CCC#N)CNC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001609082931 1077755733 /nfs/dbraw/zinc/75/57/33/1077755733.db2.gz MJDHZQQHVGVLJT-UHFFFAOYSA-N -1 3 316.340 2.066 20 30 DEEDHM CC[C@@](C)(C#N)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609182509 1077786735 /nfs/dbraw/zinc/78/67/35/1077786735.db2.gz 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ZINC001609393324 1077849139 /nfs/dbraw/zinc/84/91/39/1077849139.db2.gz NUOUGZJTKPIZPL-JTQLQIEISA-N -1 3 306.333 2.010 20 30 DEEDHM Cc1cc(C#N)nc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001609393324 1077849143 /nfs/dbraw/zinc/84/91/43/1077849143.db2.gz NUOUGZJTKPIZPL-JTQLQIEISA-N -1 3 306.333 2.010 20 30 DEEDHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)cc1C#N ZINC001609419515 1077856060 /nfs/dbraw/zinc/85/60/60/1077856060.db2.gz MCYRKFGRZBCWRH-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)cc1C#N ZINC001609419515 1077856063 /nfs/dbraw/zinc/85/60/63/1077856063.db2.gz MCYRKFGRZBCWRH-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1nc(C)c(-c2nnn[n-]2)c(S[C@H]2CC[C@H](C#N)C2)n1 ZINC001609449370 1077861377 /nfs/dbraw/zinc/86/13/77/1077861377.db2.gz ZTFJVNASHJZQTO-UWVGGRQHSA-N -1 3 301.379 2.058 20 30 DEEDHM Cc1nc(C)c(-c2nn[n-]n2)c(S[C@H]2CC[C@H](C#N)C2)n1 ZINC001609449370 1077861381 /nfs/dbraw/zinc/86/13/81/1077861381.db2.gz ZTFJVNASHJZQTO-UWVGGRQHSA-N -1 3 301.379 2.058 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCSc1ccccc1 ZINC001609446792 1077861385 /nfs/dbraw/zinc/86/13/85/1077861385.db2.gz RIAFKSZBMMIMGK-UHFFFAOYSA-N -1 3 311.374 2.036 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCSc1ccccc1 ZINC001609446792 1077861389 /nfs/dbraw/zinc/86/13/89/1077861389.db2.gz RIAFKSZBMMIMGK-UHFFFAOYSA-N -1 3 311.374 2.036 20 30 DEEDHM N#CCCCCOC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001609495097 1077870295 /nfs/dbraw/zinc/87/02/95/1077870295.db2.gz UPPZXCUDVNFLCL-UHFFFAOYSA-N -1 3 305.725 2.371 20 30 DEEDHM N#CCCCCOC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001609495097 1077870297 /nfs/dbraw/zinc/87/02/97/1077870297.db2.gz UPPZXCUDVNFLCL-UHFFFAOYSA-N -1 3 305.725 2.371 20 30 DEEDHM Cc1nn(CC(=O)N([O-])Cc2ccc(F)cc2)c2ncccc12 ZINC001651238254 1079796798 /nfs/dbraw/zinc/79/67/98/1079796798.db2.gz UIZDLCVREJXYDI-UHFFFAOYSA-N -1 3 314.320 2.297 20 30 DEEDHM C#C[C@H](C)[N-]S(=O)(=O)c1c2ncsc2ccc1Cl ZINC001663716678 1080807014 /nfs/dbraw/zinc/80/70/14/1080807014.db2.gz 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ZINC001606319774 1071116761 /nfs/dbraw/zinc/11/67/61/1071116761.db2.gz PPODKRQCLMXHHF-UHFFFAOYSA-N -1 3 314.299 2.269 20 30 DEEDHM Fc1ccc(F)c(CNN=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001606319774 1071116766 /nfs/dbraw/zinc/11/67/66/1071116766.db2.gz PPODKRQCLMXHHF-UHFFFAOYSA-N -1 3 314.299 2.269 20 30 DEEDHM C=CCn1c(=O)[n-]nc1SCCc1nc2ccccc2[nH]1 ZINC001458998835 1058116708 /nfs/dbraw/zinc/11/67/08/1058116708.db2.gz YWMSYWSBORFEDO-UHFFFAOYSA-N -1 3 301.375 2.381 20 30 DEEDHM COc1ncc(NC(=O)NCc2c([O-])cccc2F)cc1C#N ZINC001467268121 1059600122 /nfs/dbraw/zinc/60/01/22/1059600122.db2.gz HVCKYTAMEIWITB-UHFFFAOYSA-N -1 3 316.292 2.128 20 30 DEEDHM N#C[C@@]1(C(=O)Nc2cccc(Cc3nnn[n-]3)c2)CC12CCCC2 ZINC001468756877 1059846665 /nfs/dbraw/zinc/84/66/65/1059846665.db2.gz SGVFIELJESUTBD-QGZVFWFLSA-N -1 3 322.372 2.203 20 30 DEEDHM N#C[C@@]1(C(=O)Nc2cccc(Cc3nn[n-]n3)c2)CC12CCCC2 ZINC001468756877 1059846696 /nfs/dbraw/zinc/84/66/96/1059846696.db2.gz SGVFIELJESUTBD-QGZVFWFLSA-N -1 3 322.372 2.203 20 30 DEEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc2c(ccc3ccccc23)o1 ZINC001569561723 1065593800 /nfs/dbraw/zinc/59/38/00/1065593800.db2.gz WGQGBJXWKCEWFB-ZDUSSCGKSA-N -1 3 310.309 2.306 20 30 DEEDHM N#Cc1ccccc1C=CC(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001624725675 1078228432 /nfs/dbraw/zinc/22/84/32/1078228432.db2.gz KOZHLHQRPROSIR-FPLPWBNLSA-N -1 3 306.325 2.046 20 30 DEEDHM C=C(C)CCC(=O)NC[C@H](CC)NC(=O)c1ccccc1[O-] ZINC001499122751 1067107116 /nfs/dbraw/zinc/10/71/16/1067107116.db2.gz QPRUGKDYCZLRDZ-ZDUSSCGKSA-N -1 3 304.390 2.373 20 30 DEEDHM C=C(C)CCC(=O)N1C[C@H](NC(=O)c2ccccc2[O-])C[C@@H]1C ZINC001572400199 1068753440 /nfs/dbraw/zinc/75/34/40/1068753440.db2.gz HKZRBKJDCHXQJK-UONOGXRCSA-N -1 3 316.401 2.468 20 30 DEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCCC[C@H]1CC ZINC001520368194 1069126217 /nfs/dbraw/zinc/12/62/17/1069126217.db2.gz QPHFFLMGPIWXJA-GFCCVEGCSA-N -1 3 314.393 2.396 20 30 DEEDHM CC(C)C#CC(=O)Nc1cc(C(=O)OCc2ccccc2)n[n-]1 ZINC001646347812 1074421390 /nfs/dbraw/zinc/42/13/90/1074421390.db2.gz ORKMIRFGAGZETK-UHFFFAOYSA-N -1 3 311.341 2.365 20 30 DEEDHM CC(C)C#CC(=O)Nc1cc(C(=O)OCc2ccccc2)[n-]n1 ZINC001646347812 1074421393 /nfs/dbraw/zinc/42/13/93/1074421393.db2.gz ORKMIRFGAGZETK-UHFFFAOYSA-N -1 3 311.341 2.365 20 30 DEEDHM N#Cc1ccc(N2CCN(c3cc(=O)[n-]cn3)CC2)c(Cl)c1 ZINC001646361293 1074428645 /nfs/dbraw/zinc/42/86/45/1074428645.db2.gz USSIXQHCLDMSAX-UHFFFAOYSA-N -1 3 315.764 2.034 20 30 DEEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001552321037 1074540076 /nfs/dbraw/zinc/54/00/76/1074540076.db2.gz IPGBPWLFXRULBW-SOUVJXGZSA-N -1 3 302.374 2.067 20 30 DEEDHM C#Cc1ccc(NC(=O)CCNC(=O)c2ccc(C)cc2[O-])cc1 ZINC001648498794 1075000245 /nfs/dbraw/zinc/00/02/45/1075000245.db2.gz RUBQNVKLPAXNCI-UHFFFAOYSA-N -1 3 322.364 2.441 20 30 DEEDHM C=CCn1cc(C(=O)Nc2cc(Br)ccc2[O-])nn1 ZINC001556082138 1075017406 /nfs/dbraw/zinc/01/74/06/1075017406.db2.gz BLJDCRQMFGDAEA-UHFFFAOYSA-N -1 3 323.150 2.185 20 30 DEEDHM CCOC(=O)c1ncc(C(=O)N([O-])Cc2ccc(F)cc2)s1 ZINC001559036935 1075111640 /nfs/dbraw/zinc/11/16/40/1075111640.db2.gz BZOLMBOPOSWROO-UHFFFAOYSA-N -1 3 324.333 2.491 20 30 DEEDHM CN1CCC(C#N)(NC(=O)c2cc3sccc3c([O-])c2)CC1 ZINC001565587304 1075182698 /nfs/dbraw/zinc/18/26/98/1075182698.db2.gz WQSBBHCJZOTYEO-UHFFFAOYSA-N -1 3 315.398 2.325 20 30 DEEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)Nc1ccc(CCC#N)cc1 ZINC001580465348 1075931289 /nfs/dbraw/zinc/93/12/89/1075931289.db2.gz ZXVWACXCPTVARI-UHFFFAOYSA-N -1 3 321.344 2.212 20 30 DEEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)Nc1ccc(CCC#N)cc1 ZINC001580465348 1075931291 /nfs/dbraw/zinc/93/12/91/1075931291.db2.gz ZXVWACXCPTVARI-UHFFFAOYSA-N -1 3 321.344 2.212 20 30 DEEDHM Cc1c(C#N)cccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001580527194 1075944461 /nfs/dbraw/zinc/94/44/61/1075944461.db2.gz GWBSURHUOMSLKO-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1c(C#N)cccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001580527194 1075944463 /nfs/dbraw/zinc/94/44/63/1075944463.db2.gz GWBSURHUOMSLKO-UHFFFAOYSA-N -1 3 322.303 2.438 20 30 DEEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc(C)n1 ZINC001580885216 1076013566 /nfs/dbraw/zinc/01/35/66/1076013566.db2.gz LGEAIYQNZOAELY-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc(C)n1 ZINC001580885216 1076013573 /nfs/dbraw/zinc/01/35/73/1076013573.db2.gz LGEAIYQNZOAELY-UHFFFAOYSA-N -1 3 319.328 2.003 20 30 DEEDHM Cc1sc(NC(=O)c2coc(C#N)c2)c(-c2nnn[n-]2)c1C ZINC001581741766 1076092590 /nfs/dbraw/zinc/09/25/90/1076092590.db2.gz OSEYZPLPNTVPFW-UHFFFAOYSA-N -1 3 314.330 2.262 20 30 DEEDHM Cc1sc(NC(=O)c2coc(C#N)c2)c(-c2nn[n-]n2)c1C ZINC001581741766 1076092595 /nfs/dbraw/zinc/09/25/95/1076092595.db2.gz OSEYZPLPNTVPFW-UHFFFAOYSA-N -1 3 314.330 2.262 20 30 DEEDHM N#Cc1ccc(CNc2ncc(-c3nnn[n-]3)cc2F)cc1F ZINC001581872202 1076105981 /nfs/dbraw/zinc/10/59/81/1076105981.db2.gz OVDDNGVZDKMSPW-UHFFFAOYSA-N -1 3 313.271 2.024 20 30 DEEDHM N#Cc1ccc(CNc2ncc(-c3nn[n-]n3)cc2F)cc1F ZINC001581872202 1076105983 /nfs/dbraw/zinc/10/59/83/1076105983.db2.gz OVDDNGVZDKMSPW-UHFFFAOYSA-N -1 3 313.271 2.024 20 30 DEEDHM C#C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588332986 1076441547 /nfs/dbraw/zinc/44/15/47/1076441547.db2.gz XITRFYFMPKIJMS-SWLSCSKDSA-N -1 3 324.388 2.125 20 30 DEEDHM C#C[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588332986 1076441548 /nfs/dbraw/zinc/44/15/48/1076441548.db2.gz XITRFYFMPKIJMS-SWLSCSKDSA-N -1 3 324.388 2.125 20 30 DEEDHM C#CCOc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588363162 1076443725 /nfs/dbraw/zinc/44/37/25/1076443725.db2.gz NYKQKKJOWDFZGT-UHFFFAOYSA-N -1 3 319.324 2.131 20 30 DEEDHM C#CCOc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588363162 1076443727 /nfs/dbraw/zinc/44/37/27/1076443727.db2.gz NYKQKKJOWDFZGT-UHFFFAOYSA-N -1 3 319.324 2.131 20 30 DEEDHM C#Cc1cccc(NC(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588375485 1076444752 /nfs/dbraw/zinc/44/47/52/1076444752.db2.gz YTPIIRSZYGKZEJ-FLIBITNWSA-N -1 3 315.336 2.500 20 30 DEEDHM C#Cc1cccc(NC(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588375485 1076444755 /nfs/dbraw/zinc/44/47/55/1076444755.db2.gz YTPIIRSZYGKZEJ-FLIBITNWSA-N -1 3 315.336 2.500 20 30 DEEDHM C=C(CC(C)C)C(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588443088 1076448287 /nfs/dbraw/zinc/44/82/87/1076448287.db2.gz UWTLLBKRSRXQHT-OAHLLOKOSA-N -1 3 311.389 2.052 20 30 DEEDHM C=C(CC(C)C)C(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588443088 1076448289 /nfs/dbraw/zinc/44/82/89/1076448289.db2.gz UWTLLBKRSRXQHT-OAHLLOKOSA-N -1 3 311.389 2.052 20 30 DEEDHM C=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC001588444380 1076448584 /nfs/dbraw/zinc/44/85/84/1076448584.db2.gz ZHXRPOMTRLMVLU-UHFFFAOYSA-N -1 3 305.341 2.310 20 30 DEEDHM C=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC001588444380 1076448586 /nfs/dbraw/zinc/44/85/86/1076448586.db2.gz ZHXRPOMTRLMVLU-UHFFFAOYSA-N -1 3 305.341 2.310 20 30 DEEDHM C=C(Cl)COC(=O)[C@H](C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588447805 1076448840 /nfs/dbraw/zinc/44/88/40/1076448840.db2.gz KYYGJFUCJHSIOQ-SECBINFHSA-N -1 3 306.753 2.341 20 30 DEEDHM C=C(Cl)COC(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588447805 1076448842 /nfs/dbraw/zinc/44/88/42/1076448842.db2.gz KYYGJFUCJHSIOQ-SECBINFHSA-N -1 3 306.753 2.341 20 30 DEEDHM C=C1CCN(c2cc(F)c(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001588462576 1076449299 /nfs/dbraw/zinc/44/92/99/1076449299.db2.gz KYDDVKRAAWTZLY-UHFFFAOYSA-N -1 3 304.285 2.070 20 30 DEEDHM C=C1CCN(c2cc(F)c(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001588462576 1076449300 /nfs/dbraw/zinc/44/93/00/1076449300.db2.gz KYDDVKRAAWTZLY-UHFFFAOYSA-N -1 3 304.285 2.070 20 30 DEEDHM C=CC(C)(C)NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001588488863 1076450746 /nfs/dbraw/zinc/45/07/46/1076450746.db2.gz PPCCWBDLCXENFJ-UHFFFAOYSA-N -1 3 304.329 2.400 20 30 DEEDHM C=CC(C)(C)NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001588488863 1076450748 /nfs/dbraw/zinc/45/07/48/1076450748.db2.gz PPCCWBDLCXENFJ-UHFFFAOYSA-N -1 3 304.329 2.400 20 30 DEEDHM C=CCC1(C(=O)Oc2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC001588557080 1076453988 /nfs/dbraw/zinc/45/39/88/1076453988.db2.gz YHJCZQBIMNAAOE-UHFFFAOYSA-N -1 3 314.345 2.145 20 30 DEEDHM C=CCC1(C(=O)Oc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC001588557080 1076453990 /nfs/dbraw/zinc/45/39/90/1076453990.db2.gz YHJCZQBIMNAAOE-UHFFFAOYSA-N -1 3 314.345 2.145 20 30 DEEDHM C=CCCCN(CC)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588601319 1076457124 /nfs/dbraw/zinc/45/71/24/1076457124.db2.gz JRPHGGQXVJEFES-UHFFFAOYSA-N -1 3 301.354 2.082 20 30 DEEDHM C=CCCCN(CC)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588601319 1076457128 /nfs/dbraw/zinc/45/71/28/1076457128.db2.gz JRPHGGQXVJEFES-UHFFFAOYSA-N -1 3 301.354 2.082 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1CC ZINC001588610951 1076457163 /nfs/dbraw/zinc/45/71/63/1076457163.db2.gz OQQXACMSKFKRKX-NSHDSACASA-N -1 3 316.361 2.316 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1CC ZINC001588610951 1076457167 /nfs/dbraw/zinc/45/71/67/1076457167.db2.gz OQQXACMSKFKRKX-NSHDSACASA-N -1 3 316.361 2.316 20 30 DEEDHM C=CCCNC(=O)N(C)[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588609823 1076457425 /nfs/dbraw/zinc/45/74/25/1076457425.db2.gz VDCDWVRGVVXTAU-LLVKDONJSA-N -1 3 300.366 2.145 20 30 DEEDHM C=CCCNC(=O)N(C)[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588609823 1076457426 /nfs/dbraw/zinc/45/74/26/1076457426.db2.gz VDCDWVRGVVXTAU-LLVKDONJSA-N -1 3 300.366 2.145 20 30 DEEDHM C=CCN(CC=C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588631543 1076458668 /nfs/dbraw/zinc/45/86/68/1076458668.db2.gz HHVREDCEENXYCS-UHFFFAOYSA-N -1 3 302.313 2.212 20 30 DEEDHM C=CCN(CC=C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588631543 1076458670 /nfs/dbraw/zinc/45/86/70/1076458670.db2.gz HHVREDCEENXYCS-UHFFFAOYSA-N -1 3 302.313 2.212 20 30 DEEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1C=CCC1 ZINC001588641546 1076459753 /nfs/dbraw/zinc/45/97/53/1076459753.db2.gz HRUDQPLNOTXUCK-OAHLLOKOSA-N -1 3 324.388 2.283 20 30 DEEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1C=CCC1 ZINC001588641546 1076459759 /nfs/dbraw/zinc/45/97/59/1076459759.db2.gz HRUDQPLNOTXUCK-OAHLLOKOSA-N -1 3 324.388 2.283 20 30 DEEDHM C[C@H](C#N)CN(Cc1cc(-c2nnn[n-]2)cnc1Cl)C1CC1 ZINC001588934013 1076469973 /nfs/dbraw/zinc/46/99/73/1076469973.db2.gz DAOVGLGXUMGWSP-SECBINFHSA-N -1 3 317.784 2.039 20 30 DEEDHM C[C@H](C#N)CN(Cc1cc(-c2nn[n-]n2)cnc1Cl)C1CC1 ZINC001588934013 1076469976 /nfs/dbraw/zinc/46/99/76/1076469976.db2.gz DAOVGLGXUMGWSP-SECBINFHSA-N -1 3 317.784 2.039 20 30 DEEDHM CC(C)(C)c1ncc(C=NNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001589243799 1076481317 /nfs/dbraw/zinc/48/13/17/1076481317.db2.gz HRVBPTICBAYOAK-UHFFFAOYSA-N -1 3 322.376 2.400 20 30 DEEDHM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001589658675 1076504793 /nfs/dbraw/zinc/50/47/93/1076504793.db2.gz MITPSMDNSLGCKH-QMTHXVAHSA-N -1 3 310.361 2.359 20 30 DEEDHM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001589658675 1076504797 /nfs/dbraw/zinc/50/47/97/1076504797.db2.gz MITPSMDNSLGCKH-QMTHXVAHSA-N -1 3 310.361 2.359 20 30 DEEDHM C[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)c1ccccn1 ZINC001589875692 1076521918 /nfs/dbraw/zinc/52/19/18/1076521918.db2.gz IBUOOFPDPNWVEQ-LLVKDONJSA-N -1 3 305.345 2.349 20 30 DEEDHM C[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)c1ccccn1 ZINC001589875692 1076521923 /nfs/dbraw/zinc/52/19/23/1076521923.db2.gz IBUOOFPDPNWVEQ-LLVKDONJSA-N -1 3 305.345 2.349 20 30 DEEDHM C[C@@]1(C#N)CCCN(c2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC001590055926 1076554039 /nfs/dbraw/zinc/55/40/39/1076554039.db2.gz YOZXSNHOVHFUCT-ZDUSSCGKSA-N -1 3 303.757 2.045 20 30 DEEDHM C[C@@]1(C#N)CCCN(c2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC001590055926 1076554044 /nfs/dbraw/zinc/55/40/44/1076554044.db2.gz YOZXSNHOVHFUCT-ZDUSSCGKSA-N -1 3 303.757 2.045 20 30 DEEDHM CC[C@@H](CC#N)NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001590420383 1076625278 /nfs/dbraw/zinc/62/52/78/1076625278.db2.gz XJROPADNGOXLOR-VIFPVBQESA-N -1 3 317.328 2.128 20 30 DEEDHM CC[C@@H](CC#N)NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001590420383 1076625282 /nfs/dbraw/zinc/62/52/82/1076625282.db2.gz XJROPADNGOXLOR-VIFPVBQESA-N -1 3 317.328 2.128 20 30 DEEDHM CC[C@@H](CC#N)NC(=O)Nc1scc(C)c1-c1nnn[n-]1 ZINC001590419059 1076625313 /nfs/dbraw/zinc/62/53/13/1076625313.db2.gz BMFNUHJEYSHDQT-QMMMGPOBSA-N -1 3 305.367 2.050 20 30 DEEDHM CC[C@@H](CC#N)NC(=O)Nc1scc(C)c1-c1nn[n-]n1 ZINC001590419059 1076625316 /nfs/dbraw/zinc/62/53/16/1076625316.db2.gz BMFNUHJEYSHDQT-QMMMGPOBSA-N -1 3 305.367 2.050 20 30 DEEDHM CCCCCCCCNC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001590592236 1076657309 /nfs/dbraw/zinc/65/73/09/1076657309.db2.gz JKBFAGUMWUAYBP-UHFFFAOYSA-N -1 3 304.398 2.296 20 30 DEEDHM CCCCCCCCNC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001590592236 1076657311 /nfs/dbraw/zinc/65/73/11/1076657311.db2.gz JKBFAGUMWUAYBP-UHFFFAOYSA-N -1 3 304.398 2.296 20 30 DEEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1sccc1-c1nnn[n-]1 ZINC001591140593 1076712410 /nfs/dbraw/zinc/71/24/10/1076712410.db2.gz PPMDSEYDYKBNMD-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM CN(Cc1ccc(C#N)cc1)C(=O)c1sccc1-c1nn[n-]n1 ZINC001591140593 1076712414 /nfs/dbraw/zinc/71/24/14/1076712414.db2.gz PPMDSEYDYKBNMD-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC001591523591 1076754267 /nfs/dbraw/zinc/75/42/67/1076754267.db2.gz XRWIMQQVILMCAL-UHFFFAOYSA-N -1 3 312.308 2.460 20 30 DEEDHM COc1ccc(CNN=Cc2ccc(-c3nnn[n-]3)c(C)c2)cc1 ZINC001591599636 1076763754 /nfs/dbraw/zinc/76/37/54/1076763754.db2.gz AYEUNMLCBLBPRU-UHFFFAOYSA-N -1 3 322.372 2.307 20 30 DEEDHM COc1ccc(CNN=Cc2ccc(-c3nn[n-]n3)c(C)c2)cc1 ZINC001591599636 1076763759 /nfs/dbraw/zinc/76/37/59/1076763759.db2.gz AYEUNMLCBLBPRU-UHFFFAOYSA-N -1 3 322.372 2.307 20 30 DEEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nnn[n-]3)c(C)c2)n(C)n1 ZINC001591907044 1076805132 /nfs/dbraw/zinc/80/51/32/1076805132.db2.gz XMELGRGEYLJLCW-ALCCZGGFSA-N -1 3 308.345 2.113 20 30 DEEDHM Cc1cc(C(=O)C=Cc2ccc(-c3nn[n-]n3)c(C)c2)n(C)n1 ZINC001591907044 1076805137 /nfs/dbraw/zinc/80/51/37/1076805137.db2.gz XMELGRGEYLJLCW-ALCCZGGFSA-N -1 3 308.345 2.113 20 30 DEEDHM Clc1cc(NN=Cc2nccs2)ccc1-c1nnn[n-]1 ZINC001592526464 1076924934 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ZINC001592666604 1076948319 /nfs/dbraw/zinc/94/83/19/1076948319.db2.gz HPYJRFRLOSBAEM-UHFFFAOYSA-N -1 3 302.725 2.152 20 30 DEEDHM N#CC1(CC(=O)Nc2ccc(Cl)cc2-c2nn[n-]n2)CC1 ZINC001592666604 1076948322 /nfs/dbraw/zinc/94/83/22/1076948322.db2.gz HPYJRFRLOSBAEM-UHFFFAOYSA-N -1 3 302.725 2.152 20 30 DEEDHM N#CCc1ccc(NC(=O)c2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC001592679896 1076952429 /nfs/dbraw/zinc/95/24/29/1076952429.db2.gz GCEKUTCYENDWBH-UHFFFAOYSA-N -1 3 322.303 2.324 20 30 DEEDHM N#CCc1ccc(NC(=O)c2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC001592679896 1076952434 /nfs/dbraw/zinc/95/24/34/1076952434.db2.gz GCEKUTCYENDWBH-UHFFFAOYSA-N -1 3 322.303 2.324 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@H]2CC[C@@H](C1)S2 ZINC001592699293 1076954266 /nfs/dbraw/zinc/95/42/66/1076954266.db2.gz VIMRQJHKPNZCGW-NEPJUHHUSA-N -1 3 312.402 2.213 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@H]2CC[C@@H](C1)S2 ZINC001592699293 1076954270 /nfs/dbraw/zinc/95/42/70/1076954270.db2.gz VIMRQJHKPNZCGW-NEPJUHHUSA-N -1 3 312.402 2.213 20 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/nfs/dbraw/zinc/02/45/03/1077024503.db2.gz GDMKWZUHIZSAIA-DDHJSBNISA-N -1 3 310.361 2.080 20 30 DEEDHM C=CCn1cc(C(=O)Nc2ccc(Br)cc2[O-])nn1 ZINC001595761254 1077067547 /nfs/dbraw/zinc/06/75/47/1077067547.db2.gz UKVUPEWJCCUNCT-UHFFFAOYSA-N -1 3 323.150 2.185 20 30 DEEDHM Cc1cc(CNCCOc2ccc(C#N)cc2)oc1C(=O)[O-] ZINC001600205351 1077161099 /nfs/dbraw/zinc/16/10/99/1077161099.db2.gz IXNUJILNUQVOGJ-UHFFFAOYSA-N -1 3 300.314 2.327 20 30 DEEDHM N#CC(C(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc2c(cccc2Cl)[nH]1 ZINC001608169842 1077602304 /nfs/dbraw/zinc/60/23/04/1077602304.db2.gz DLHDEAQZJXWTRL-RNJXMRFFSA-N -1 3 303.705 2.113 20 30 DEEDHM C=C(COc1c(C)cc(Cl)cc1-c1nnn[n-]1)C(=O)OCC ZINC001609052011 1077748401 /nfs/dbraw/zinc/74/84/01/1077748401.db2.gz GTKDHBDMWVXVHT-UHFFFAOYSA-N -1 3 322.752 2.327 20 30 DEEDHM C=C(COc1c(C)cc(Cl)cc1-c1nn[n-]n1)C(=O)OCC ZINC001609052011 1077748407 /nfs/dbraw/zinc/74/84/07/1077748407.db2.gz GTKDHBDMWVXVHT-UHFFFAOYSA-N -1 3 322.752 2.327 20 30 DEEDHM C=C(COc1ccc(-c2nnn[n-]2)c(Cl)c1)C(=O)OCC ZINC001609051980 1077748439 /nfs/dbraw/zinc/74/84/39/1077748439.db2.gz FEVXRSMIJNKMAI-UHFFFAOYSA-N -1 3 308.725 2.018 20 30 DEEDHM C=C(COc1ccc(-c2nn[n-]n2)c(Cl)c1)C(=O)OCC ZINC001609051980 1077748445 /nfs/dbraw/zinc/74/84/45/1077748445.db2.gz FEVXRSMIJNKMAI-UHFFFAOYSA-N -1 3 308.725 2.018 20 30 DEEDHM C=CCCO[C@H](C)C(=O)Nc1cc(C)cc(-c2nnn[n-]2)c1 ZINC001609055381 1077751484 /nfs/dbraw/zinc/75/14/84/1077751484.db2.gz YKGXFAIFWJGQCO-LLVKDONJSA-N -1 3 301.350 2.095 20 30 DEEDHM C=CCCO[C@H](C)C(=O)Nc1cc(C)cc(-c2nn[n-]n2)c1 ZINC001609055381 1077751489 /nfs/dbraw/zinc/75/14/89/1077751489.db2.gz YKGXFAIFWJGQCO-LLVKDONJSA-N -1 3 301.350 2.095 20 30 DEEDHM C[C@H]1OCC(N=Nc2ccc(-c3nnn[n-]3)c(Cl)c2)[C@@H]1C ZINC001609178940 1077786855 /nfs/dbraw/zinc/78/68/55/1077786855.db2.gz IJUWHWCRDVSBDY-HTQZYQBOSA-N -1 3 306.757 2.343 20 30 DEEDHM C[C@H]1OCC(N=Nc2ccc(-c3nn[n-]n3)c(Cl)c2)[C@@H]1C ZINC001609178940 1077786859 /nfs/dbraw/zinc/78/68/59/1077786859.db2.gz IJUWHWCRDVSBDY-HTQZYQBOSA-N -1 3 306.757 2.343 20 30 DEEDHM COc1cc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)ccn1 ZINC001609340190 1077836446 /nfs/dbraw/zinc/83/64/46/1077836446.db2.gz MUEQMGXGGRWHSO-UHFFFAOYSA-N -1 3 309.333 2.106 20 30 DEEDHM COc1cc(O)ccc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001609346504 1077837722 /nfs/dbraw/zinc/83/77/22/1077837722.db2.gz AJRVUCRNFMGGQK-SOFGYWHQSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1cc(O)ccc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001609346504 1077837725 /nfs/dbraw/zinc/83/77/25/1077837725.db2.gz AJRVUCRNFMGGQK-SOFGYWHQSA-N -1 3 322.324 2.477 20 30 DEEDHM Cc1cc(N[C@H](C)c2cccc(-c3nnn[n-]3)c2)cc(C#N)n1 ZINC001609408828 1077853017 /nfs/dbraw/zinc/85/30/17/1077853017.db2.gz NADLRIOKUYLXSI-LLVKDONJSA-N -1 3 305.345 2.037 20 30 DEEDHM Cc1cc(N[C@H](C)c2cccc(-c3nn[n-]n3)c2)cc(C#N)n1 ZINC001609408828 1077853020 /nfs/dbraw/zinc/85/30/20/1077853020.db2.gz NADLRIOKUYLXSI-LLVKDONJSA-N -1 3 305.345 2.037 20 30 DEEDHM Cc1cc(NCC(C)(C)CC#N)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001609409716 1077853549 /nfs/dbraw/zinc/85/35/49/1077853549.db2.gz UXVVFDMTEPVSES-UHFFFAOYSA-N -1 3 315.337 2.435 20 30 DEEDHM Cc1cc(NCC(C)(C)CC#N)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001609409716 1077853551 /nfs/dbraw/zinc/85/35/51/1077853551.db2.gz UXVVFDMTEPVSES-UHFFFAOYSA-N -1 3 315.337 2.435 20 30 DEEDHM N#Cc1ccc(COC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC001609498457 1077871016 /nfs/dbraw/zinc/87/10/16/1077871016.db2.gz LWBXACBRUWJFBS-UHFFFAOYSA-N -1 3 323.287 2.234 20 30 DEEDHM N#Cc1ccc(COC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC001609498457 1077871018 /nfs/dbraw/zinc/87/10/18/1077871018.db2.gz LWBXACBRUWJFBS-UHFFFAOYSA-N -1 3 323.287 2.234 20 30 DEEDHM N#Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC001609499210 1077871320 /nfs/dbraw/zinc/87/13/20/1077871320.db2.gz ZWWKWPYOMMEQPP-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM N#Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC001609499210 1077871321 /nfs/dbraw/zinc/87/13/21/1077871321.db2.gz ZWWKWPYOMMEQPP-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM C=CCN1CC[C@@]2(CCN(Cc3ccc([O-])c(F)c3F)C2)C1=O ZINC001272724527 1080508426 /nfs/dbraw/zinc/50/84/26/1080508426.db2.gz KLXUJQCOLLAIKM-QGZVFWFLSA-N -1 3 322.355 2.281 20 30 DEEDHM N#Cc1sc(NC(=O)[N-]OCc2cccnc2)nc1Cl ZINC001672173485 1081563943 /nfs/dbraw/zinc/56/39/43/1081563943.db2.gz KXHHEOJJGRKSOE-UHFFFAOYSA-N -1 3 309.738 2.316 20 30 DEEDHM Cc1nccc2c(NC(=O)N[C@H]3CCCN([O-])C3=O)cccc12 ZINC001674340648 1081861663 /nfs/dbraw/zinc/86/16/63/1081861663.db2.gz INZXKLKSPRWYTR-AWEZNQCLSA-N -1 3 314.345 2.045 20 30 DEEDHM C=CCN1CC[C@@]2(CCCN2C(=O)c2c(C)cccc2[O-])C1=O ZINC001271653057 1082101150 /nfs/dbraw/zinc/10/11/50/1082101150.db2.gz OIYXZCACSQKSTC-SFHVURJKSA-N -1 3 314.385 2.094 20 30 DEEDHM Cc1cccc(CO[N-]C(=O)c2c(F)cc(C#N)cc2F)n1 ZINC001168634460 1084269655 /nfs/dbraw/zinc/26/96/55/1084269655.db2.gz QCIPWYMGUDXYIK-UHFFFAOYSA-N -1 3 303.268 2.402 20 30 DEEDHM C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001062057561 1086730108 /nfs/dbraw/zinc/73/01/08/1086730108.db2.gz WRMQVTCCHAPLNU-CQSZACIVSA-N -1 3 316.401 2.469 20 30 DEEDHM N#Cc1ccc(NC[C@H]2CCCN2C(=O)c2ccccc2[O-])cn1 ZINC001063428303 1087424705 /nfs/dbraw/zinc/42/47/05/1087424705.db2.gz OZEGXODNLOPGDQ-OAHLLOKOSA-N -1 3 322.368 2.376 20 30 DEEDHM C=CCCCC(=O)N[C@H]1CCN(C(=O)c2ccccc2[O-])[C@H]1C ZINC001488115559 1092318115 /nfs/dbraw/zinc/31/81/15/1092318115.db2.gz DTBJFINDAJHKNN-ZFWWWQNUSA-N -1 3 316.401 2.468 20 30 DEEDHM C=CCCCC(=O)N1CCC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001296397257 1139771307 /nfs/dbraw/zinc/77/13/07/1139771307.db2.gz SIJAMBFLBPMKPM-CQSZACIVSA-N -1 3 316.401 2.469 20 30 DEEDHM C=CCCC(=O)N1CC[C@@H](N(CC)C(=O)c2ccccc2[O-])C1 ZINC001297304042 1139857382 /nfs/dbraw/zinc/85/73/82/1139857382.db2.gz BFOIZWOWQPQMAM-CQSZACIVSA-N -1 3 316.401 2.421 20 30 DEEDHM Cc1c(C#N)cccc1C(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001298993037 1140114267 /nfs/dbraw/zinc/11/42/67/1140114267.db2.gz HLAKCTCZRLDLTJ-UHFFFAOYSA-N -1 3 318.340 2.223 20 30 DEEDHM Cc1c(C#N)cccc1C(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001298993037 1140114274 /nfs/dbraw/zinc/11/42/74/1140114274.db2.gz HLAKCTCZRLDLTJ-UHFFFAOYSA-N -1 3 318.340 2.223 20 30 DEEDHM C=C[C@@H](CC)CC(=O)NC1(CNC(=O)c2ccccc2[O-])CC1 ZINC001299122511 1140149061 /nfs/dbraw/zinc/14/90/61/1140149061.db2.gz FGLZYPAGSDFFMF-ZDUSSCGKSA-N -1 3 316.401 2.373 20 30 DEEDHM Cc1nc2ccccn2c(=O)c1CCc1ccc([O-])c(C#N)c1 ZINC001250309085 1142141591 /nfs/dbraw/zinc/14/15/91/1142141591.db2.gz BTCHURMJHSURKR-UHFFFAOYSA-N -1 3 305.337 2.365 20 30 DEEDHM C=C(C)CCC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC001337259918 1142719422 /nfs/dbraw/zinc/71/94/22/1142719422.db2.gz UPCXVBRNAGKDOF-UHFFFAOYSA-N -1 3 306.328 2.260 20 30 DEEDHM C=CCn1c(-c2nnc(Cl)[n-]2)nnc1N1CCC[C@@H]1CC ZINC001339091163 1142920790 /nfs/dbraw/zinc/92/07/90/1142920790.db2.gz NTTOSUROOOBNSR-VIFPVBQESA-N -1 3 307.789 2.281 20 30 DEEDHM C=CCn1c(-c2n[n-]c(Cl)n2)nnc1N1CCC[C@@H]1CC ZINC001339091163 1142920810 /nfs/dbraw/zinc/92/08/10/1142920810.db2.gz NTTOSUROOOBNSR-VIFPVBQESA-N -1 3 307.789 2.281 20 30 DEEDHM 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C=C[C@@H](CC)CC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001602799445 1069756528 /nfs/dbraw/zinc/75/65/28/1069756528.db2.gz BLKNMFRLIMEKLC-JTQLQIEISA-N -1 3 305.407 2.489 20 30 DEEDHM C=CCNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC001602862785 1069781742 /nfs/dbraw/zinc/78/17/42/1069781742.db2.gz JKJLWIFQWMQTTB-UHFFFAOYSA-N -1 3 305.341 2.450 20 30 DEEDHM C=CCNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC001602862785 1069781752 /nfs/dbraw/zinc/78/17/52/1069781752.db2.gz JKJLWIFQWMQTTB-UHFFFAOYSA-N -1 3 305.341 2.450 20 30 DEEDHM C=CCN(Cc1cc(C(=O)[O-])cc(C(=O)OC)c1)[C@@H](C)COC ZINC001602894059 1069789202 /nfs/dbraw/zinc/78/92/02/1069789202.db2.gz RIWXUVBXNAREKB-LBPRGKRZSA-N -1 3 321.373 2.194 20 30 DEEDHM CC(=NNC12CC(C1)C2)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001602906247 1069790787 /nfs/dbraw/zinc/79/07/87/1069790787.db2.gz IQFHJJDJSNKEEM-UHFFFAOYSA-N -1 3 302.769 2.386 20 30 DEEDHM CC(=NNC12CC(C1)C2)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001602906247 1069790806 /nfs/dbraw/zinc/79/08/06/1069790806.db2.gz 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Cc1ccc(CNc2ncc(-c3nn[n-]n3)cc2F)cc1C#N ZINC001605858629 1070948751 /nfs/dbraw/zinc/94/87/51/1070948751.db2.gz RTVWDFSPECJCNA-UHFFFAOYSA-N -1 3 309.308 2.193 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1noc2ccccc12 ZINC001606380387 1071137115 /nfs/dbraw/zinc/13/71/15/1071137115.db2.gz WOTZHRXCSHPVLD-UHFFFAOYSA-N -1 3 317.312 2.492 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1noc2ccccc12 ZINC001606380387 1071137120 /nfs/dbraw/zinc/13/71/20/1071137120.db2.gz WOTZHRXCSHPVLD-UHFFFAOYSA-N -1 3 317.312 2.492 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC(c2ccccc2)C1 ZINC001606380989 1071137596 /nfs/dbraw/zinc/13/75/96/1071137596.db2.gz GZOUITZKHTZLQN-UHFFFAOYSA-N -1 3 302.341 2.342 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC(c2ccccc2)C1 ZINC001606380989 1071137597 /nfs/dbraw/zinc/13/75/97/1071137597.db2.gz GZOUITZKHTZLQN-UHFFFAOYSA-N -1 3 302.341 2.342 20 30 DEEDHM O=C(C=Cc1cccc2nccn21)c1ccccc1-c1nnn[n-]1 ZINC001606482120 1071151672 /nfs/dbraw/zinc/15/16/72/1071151672.db2.gz NTGWNOKVUBILOP-CMDGGOBGSA-N -1 3 316.324 2.411 20 30 DEEDHM O=C(C=Cc1cccc2nccn21)c1ccccc1-c1nn[n-]n1 ZINC001606482120 1071151676 /nfs/dbraw/zinc/15/16/76/1071151676.db2.gz NTGWNOKVUBILOP-CMDGGOBGSA-N -1 3 316.324 2.411 20 30 DEEDHM COC(=O)c1cccc(CN(CC(=O)[O-])C2CCCC2)c1C#N ZINC001606616707 1071175184 /nfs/dbraw/zinc/17/51/84/1071175184.db2.gz OAEFXVFCTWIPMX-UHFFFAOYSA-N -1 3 316.357 2.174 20 30 DEEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)c2cnn(C)c2n1 ZINC001458015074 1058040399 /nfs/dbraw/zinc/04/03/99/1058040399.db2.gz BZJYBWBEZKWIRO-UHFFFAOYSA-N -1 3 314.320 2.447 20 30 DEEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(F)nc1F)c1ccccc1 ZINC001463945803 1059051976 /nfs/dbraw/zinc/05/19/76/1059051976.db2.gz MKRRRRPYXOPXJH-LLVKDONJSA-N -1 3 308.309 2.013 20 30 DEEDHM CCOC(=O)c1ncc(NC(=O)[C@]2(C#N)CC3CCC2CC3)[n-]1 ZINC001470841615 1060151862 /nfs/dbraw/zinc/15/18/62/1060151862.db2.gz HIWYQWVGYDJXRE-PRDDCLIZSA-N -1 3 316.361 2.245 20 30 DEEDHM CCOC(=O)c1nc(NC(=O)[C@]2(C#N)CC3CCC2CC3)c[n-]1 ZINC001470841615 1060151867 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CN(Cc1cc(C#N)cs1)C(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001579243204 1067269528 /nfs/dbraw/zinc/26/95/28/1067269528.db2.gz VLFCUYHGJZLHBG-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM CN(Cc1cc(C#N)cs1)C(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001579243204 1067269537 /nfs/dbraw/zinc/26/95/37/1067269537.db2.gz VLFCUYHGJZLHBG-UHFFFAOYSA-N -1 3 324.369 2.072 20 30 DEEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc2cc(Cl)ccc2s1 ZINC001637465257 1078520890 /nfs/dbraw/zinc/52/08/90/1078520890.db2.gz OTGLRZZYBOTRGV-VIFPVBQESA-N -1 3 310.762 2.275 20 30 DEEDHM CCCCN([O-])C(=O)CN1c2ccccc2OC(F)(F)C1=O ZINC001639072030 1078592932 /nfs/dbraw/zinc/59/29/32/1078592932.db2.gz QPKWHDKVNHQUTL-UHFFFAOYSA-N -1 3 314.288 2.023 20 30 DEEDHM C=C[C@H](COC)NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001639153553 1078597606 /nfs/dbraw/zinc/59/76/06/1078597606.db2.gz KBCOWOIAPSABIX-SECBINFHSA-N -1 3 306.749 2.112 20 30 DEEDHM CC(C)OC(=O)c1cc(NC(=O)C=Cc2ccccc2C#N)[n-]n1 ZINC001639416415 1078611932 /nfs/dbraw/zinc/61/19/32/1078611932.db2.gz 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ZINC001515031657 1068829956 /nfs/dbraw/zinc/82/99/56/1068829956.db2.gz NSYDQNCSPKCIAY-UHFFFAOYSA-N -1 3 307.789 2.305 20 30 DEEDHM C=C(C)CN(C)c1nnc(-c2n[n-]c(Cl)n2)n1CC(=C)C ZINC001515031657 1068829967 /nfs/dbraw/zinc/82/99/67/1068829967.db2.gz NSYDQNCSPKCIAY-UHFFFAOYSA-N -1 3 307.789 2.305 20 30 DEEDHM C=C[C@](C)(O)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC001541009572 1072435575 /nfs/dbraw/zinc/43/55/75/1072435575.db2.gz NCMUMQYKDBXWQR-KRWDZBQOSA-N -1 3 313.357 2.287 20 30 DEEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001552209742 1074493810 /nfs/dbraw/zinc/49/38/10/1074493810.db2.gz CPJCGNJVVYFUPA-HRCADAONSA-N -1 3 316.401 2.457 20 30 DEEDHM Cc1cc(C#N)cc(N[C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)n1 ZINC001580768791 1075990912 /nfs/dbraw/zinc/99/09/12/1075990912.db2.gz MGEKRJVABXWPTB-HNNXBMFYSA-N -1 3 317.356 2.021 20 30 DEEDHM Cc1cc(C#N)cc(N[C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)n1 ZINC001580768791 1075990913 /nfs/dbraw/zinc/99/09/13/1075990913.db2.gz MGEKRJVABXWPTB-HNNXBMFYSA-N -1 3 317.356 2.021 20 30 DEEDHM N#Cc1cc(F)cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC001581866513 1076105559 /nfs/dbraw/zinc/10/55/59/1076105559.db2.gz GYSRPFWAXMTOEU-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1cc(F)cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC001581866513 1076105560 /nfs/dbraw/zinc/10/55/60/1076105560.db2.gz GYSRPFWAXMTOEU-UHFFFAOYSA-N -1 3 314.305 2.191 20 30 DEEDHM N#Cc1cccc2c1CCN2C(=O)c1sccc1-c1nnn[n-]1 ZINC001581875636 1076107197 /nfs/dbraw/zinc/10/71/97/1076107197.db2.gz IVRNIVPRXVRFTR-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM N#Cc1cccc2c1CCN2C(=O)c1sccc1-c1nn[n-]n1 ZINC001581875636 1076107200 /nfs/dbraw/zinc/10/72/00/1076107200.db2.gz IVRNIVPRXVRFTR-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM C=C[C@@H](CC)CC(=O)N1CC(CNC(=O)c2ccccc2[O-])C1 ZINC001582131451 1076126610 /nfs/dbraw/zinc/12/66/10/1076126610.db2.gz IDFKPTUUUARASV-ZDUSSCGKSA-N -1 3 316.401 2.183 20 30 DEEDHM C=C(C)CCC(=O)N(C)C1CN(C(=O)c2ccccc2[O-])C1 ZINC001585422661 1076354037 /nfs/dbraw/zinc/35/40/37/1076354037.db2.gz HALQIBUKJZECFK-UHFFFAOYSA-N -1 3 302.374 2.031 20 30 DEEDHM Cc1cc(C)c(C#N)c([N-]C(=O)c2nnc3ccccc3n2)n1 ZINC001585967003 1076382039 /nfs/dbraw/zinc/38/20/39/1076382039.db2.gz GVGMPOJPRHYIQM-UHFFFAOYSA-N -1 3 304.313 2.161 20 30 DEEDHM C#C[C@@H](NCc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC001588329018 1076439795 /nfs/dbraw/zinc/43/97/95/1076439795.db2.gz WDPQSUYUNSDTMY-MRXNPFEDSA-N -1 3 307.332 2.470 20 30 DEEDHM C#C[C@@H](Nc1ncc(Br)cc1-c1nnn[n-]1)C(C)C ZINC001588328766 1076440161 /nfs/dbraw/zinc/44/01/61/1076440161.db2.gz PYNPQEBUZOOEKN-SNVBAGLBSA-N -1 3 321.182 2.094 20 30 DEEDHM C#C[C@@H](Nc1ncc(Br)cc1-c1nn[n-]n1)C(C)C ZINC001588328766 1076440163 /nfs/dbraw/zinc/44/01/63/1076440163.db2.gz PYNPQEBUZOOEKN-SNVBAGLBSA-N -1 3 321.182 2.094 20 30 DEEDHM C#C[C@@H]1CCCCN1c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC001588332590 1076441425 /nfs/dbraw/zinc/44/14/25/1076441425.db2.gz NJODKUHXUSIQRQ-SECBINFHSA-N -1 3 322.294 2.273 20 30 DEEDHM C#C[C@@H]1CCCCN1c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC001588332590 1076441427 /nfs/dbraw/zinc/44/14/27/1076441427.db2.gz NJODKUHXUSIQRQ-SECBINFHSA-N -1 3 322.294 2.273 20 30 DEEDHM C#CC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC001588337203 1076441784 /nfs/dbraw/zinc/44/17/84/1076441784.db2.gz KMVNYMYNNUKAHO-JTQLQIEISA-N -1 3 315.764 2.006 20 30 DEEDHM C#CC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC001588337203 1076441785 /nfs/dbraw/zinc/44/17/85/1076441785.db2.gz KMVNYMYNNUKAHO-JTQLQIEISA-N -1 3 315.764 2.006 20 30 DEEDHM C#CCCCCCC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001588345002 1076442436 /nfs/dbraw/zinc/44/24/36/1076442436.db2.gz MBGFAFGNWFNLIA-UHFFFAOYSA-N -1 3 311.389 2.109 20 30 DEEDHM C#CCCCCCC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001588345002 1076442444 /nfs/dbraw/zinc/44/24/44/1076442444.db2.gz MBGFAFGNWFNLIA-UHFFFAOYSA-N -1 3 311.389 2.109 20 30 DEEDHM C#CC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001588337136 1076442681 /nfs/dbraw/zinc/44/26/81/1076442681.db2.gz JZCVETAPIJXWRG-SNVBAGLBSA-N -1 3 315.764 2.006 20 30 DEEDHM C#CC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001588337136 1076442683 /nfs/dbraw/zinc/44/26/83/1076442683.db2.gz JZCVETAPIJXWRG-SNVBAGLBSA-N -1 3 315.764 2.006 20 30 DEEDHM C#CCOc1cccc(Oc2cc(C)ncc2-c2nnn[n-]2)c1 ZINC001588363213 1076443015 /nfs/dbraw/zinc/44/30/15/1076443015.db2.gz RWYNKRHIQLHKSC-UHFFFAOYSA-N -1 3 307.313 2.374 20 30 DEEDHM C#CCOc1cccc(Oc2cc(C)ncc2-c2nn[n-]n2)c1 ZINC001588363213 1076443017 /nfs/dbraw/zinc/44/30/17/1076443017.db2.gz RWYNKRHIQLHKSC-UHFFFAOYSA-N -1 3 307.313 2.374 20 30 DEEDHM C#Cc1cccc(NC(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001588375484 1076444760 /nfs/dbraw/zinc/44/47/60/1076444760.db2.gz YTPIIRSZYGKZEJ-DHZHZOJOSA-N -1 3 315.336 2.500 20 30 DEEDHM C#Cc1cccc(NC(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001588375484 1076444762 /nfs/dbraw/zinc/44/47/62/1076444762.db2.gz YTPIIRSZYGKZEJ-DHZHZOJOSA-N -1 3 315.336 2.500 20 30 DEEDHM C=C(C)C(C)(C)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001588394409 1076446343 /nfs/dbraw/zinc/44/63/43/1076446343.db2.gz CDYLOAQGHBGJNC-UHFFFAOYSA-N -1 3 303.341 2.224 20 30 DEEDHM C=C(C)C(C)(C)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001588394409 1076446345 /nfs/dbraw/zinc/44/63/45/1076446345.db2.gz CDYLOAQGHBGJNC-UHFFFAOYSA-N -1 3 303.341 2.224 20 30 DEEDHM C=CCCCCNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001588596281 1076455825 /nfs/dbraw/zinc/45/58/25/1076455825.db2.gz MAGBCYSFNYQCER-UHFFFAOYSA-N -1 3 318.356 2.161 20 30 DEEDHM C=CCCCCNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001588596281 1076455828 /nfs/dbraw/zinc/45/58/28/1076455828.db2.gz MAGBCYSFNYQCER-UHFFFAOYSA-N -1 3 318.356 2.161 20 30 DEEDHM C=CCCNC(=O)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588608843 1076457325 /nfs/dbraw/zinc/45/73/25/1076457325.db2.gz DDKQXKJZQDOXGQ-UHFFFAOYSA-N -1 3 324.388 2.242 20 30 DEEDHM C=CCCNC(=O)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588608843 1076457327 /nfs/dbraw/zinc/45/73/27/1076457327.db2.gz DDKQXKJZQDOXGQ-UHFFFAOYSA-N -1 3 324.388 2.242 20 30 DEEDHM C=CCCOCC(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588615774 1076457635 /nfs/dbraw/zinc/45/76/35/1076457635.db2.gz HJVJEYKBYANMLC-UHFFFAOYSA-N -1 3 307.741 2.051 20 30 DEEDHM C=CCCOCC(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588615774 1076457639 /nfs/dbraw/zinc/45/76/39/1076457639.db2.gz HJVJEYKBYANMLC-UHFFFAOYSA-N -1 3 307.741 2.051 20 30 DEEDHM C=CCCSCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588621193 1076458504 /nfs/dbraw/zinc/45/85/04/1076458504.db2.gz XWBUBWNRKMCNLU-UHFFFAOYSA-N -1 3 320.378 2.496 20 30 DEEDHM C=CCCSCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588621193 1076458510 /nfs/dbraw/zinc/45/85/10/1076458510.db2.gz XWBUBWNRKMCNLU-UHFFFAOYSA-N -1 3 320.378 2.496 20 30 DEEDHM CC(=NN[C@H](C)C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC001588776163 1076463990 /nfs/dbraw/zinc/46/39/90/1076463990.db2.gz ALNYQJYNOSMWCC-SSDOTTSWSA-N -1 3 316.262 2.270 20 30 DEEDHM CC(=NN[C@H](C)C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC001588776163 1076463991 /nfs/dbraw/zinc/46/39/91/1076463991.db2.gz ALNYQJYNOSMWCC-SSDOTTSWSA-N -1 3 316.262 2.270 20 30 DEEDHM CC(C)(C#N)CCCn1nnc(-c2ccccc2)c1-c1nnn[n-]1 ZINC001589034379 1076472269 /nfs/dbraw/zinc/47/22/69/1076472269.db2.gz YPSNUSMTVYYEJL-UHFFFAOYSA-N -1 3 322.376 2.455 20 30 DEEDHM CC(C)(C)C#CCOC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001589071413 1076473596 /nfs/dbraw/zinc/47/35/96/1076473596.db2.gz FFTMGHDMVONQPZ-KTKRTIGZSA-N -1 3 310.357 2.473 20 30 DEEDHM CC(C)(C)C#CCOC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001589071413 1076473598 /nfs/dbraw/zinc/47/35/98/1076473598.db2.gz FFTMGHDMVONQPZ-KTKRTIGZSA-N -1 3 310.357 2.473 20 30 DEEDHM CC(C)C#CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001589379798 1076488088 /nfs/dbraw/zinc/48/80/88/1076488088.db2.gz BCWYWPFRLRCDDV-UHFFFAOYSA-N -1 3 311.389 2.263 20 30 DEEDHM CC(C)C#CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001589379798 1076488089 /nfs/dbraw/zinc/48/80/89/1076488089.db2.gz BCWYWPFRLRCDDV-UHFFFAOYSA-N -1 3 311.389 2.263 20 30 DEEDHM CC(C)=CCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001589377626 1076488183 /nfs/dbraw/zinc/48/81/83/1076488183.db2.gz SEPPJTIMUOJDLU-UHFFFAOYSA-N -1 3 301.379 2.164 20 30 DEEDHM CC(C)=CCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001589377626 1076488185 /nfs/dbraw/zinc/48/81/85/1076488185.db2.gz SEPPJTIMUOJDLU-UHFFFAOYSA-N -1 3 301.379 2.164 20 30 DEEDHM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001589658631 1076504429 /nfs/dbraw/zinc/50/44/29/1076504429.db2.gz JQZKFNMJSNPFNR-BXUZGUMPSA-N -1 3 310.361 2.359 20 30 DEEDHM CC(C)C[C@@H]1C[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001589658631 1076504433 /nfs/dbraw/zinc/50/44/33/1076504433.db2.gz JQZKFNMJSNPFNR-BXUZGUMPSA-N -1 3 310.361 2.359 20 30 DEEDHM C[C@@H](CSc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(C)(C)C ZINC001589891764 1076526320 /nfs/dbraw/zinc/52/63/20/1076526320.db2.gz UMGYWCIITACTDO-QMMMGPOBSA-N -1 3 317.422 2.490 20 30 DEEDHM C[C@@H](CSc1nc(N)c(C#N)cc1-c1nn[n-]n1)C(C)(C)C ZINC001589891764 1076526323 /nfs/dbraw/zinc/52/63/23/1076526323.db2.gz UMGYWCIITACTDO-QMMMGPOBSA-N -1 3 317.422 2.490 20 30 DEEDHM CC(F)(F)C(C)(C)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001589905517 1076527625 /nfs/dbraw/zinc/52/76/25/1076527625.db2.gz GECJCUKGFKNEQT-UHFFFAOYSA-N -1 3 320.303 2.358 20 30 DEEDHM CC(F)(F)C(C)(C)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001589905517 1076527630 /nfs/dbraw/zinc/52/76/30/1076527630.db2.gz GECJCUKGFKNEQT-UHFFFAOYSA-N -1 3 320.303 2.358 20 30 DEEDHM C[C@H](OC(=O)c1ccnc(C#N)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001590014774 1076547232 /nfs/dbraw/zinc/54/72/32/1076547232.db2.gz SJUZWRJTUIVZBC-JTQLQIEISA-N -1 3 320.312 2.051 20 30 DEEDHM C[C@H](OC(=O)c1ccnc(C#N)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590014774 1076547235 /nfs/dbraw/zinc/54/72/35/1076547235.db2.gz SJUZWRJTUIVZBC-JTQLQIEISA-N -1 3 320.312 2.051 20 30 DEEDHM C[C@]1(C#N)CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)C1 ZINC001590056964 1076554206 /nfs/dbraw/zinc/55/42/06/1076554206.db2.gz VAMRINVIDRWQSN-MRXNPFEDSA-N -1 3 305.345 2.155 20 30 DEEDHM C[C@]1(C#N)CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)C1 ZINC001590056964 1076554210 /nfs/dbraw/zinc/55/42/10/1076554210.db2.gz VAMRINVIDRWQSN-MRXNPFEDSA-N -1 3 305.345 2.155 20 30 DEEDHM CC[C@](C)(C#N)C(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001590371519 1076616154 /nfs/dbraw/zinc/61/61/54/1076616154.db2.gz CCSDTQCXCDFICE-MRXNPFEDSA-N -1 3 310.361 2.086 20 30 DEEDHM CC[C@](C)(C#N)C(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001590371519 1076616157 /nfs/dbraw/zinc/61/61/57/1076616157.db2.gz CCSDTQCXCDFICE-MRXNPFEDSA-N -1 3 310.361 2.086 20 30 DEEDHM CN(C(=O)c1cc(-c2nnn[n-]2)ccc1Cl)C1(C#N)CCC1 ZINC001590991194 1076701742 /nfs/dbraw/zinc/70/17/42/1076701742.db2.gz VXODHNRNXFRXAY-UHFFFAOYSA-N -1 3 316.752 2.038 20 30 DEEDHM CN(C(=O)c1cc(-c2nn[n-]n2)ccc1Cl)C1(C#N)CCC1 ZINC001590991194 1076701746 /nfs/dbraw/zinc/70/17/46/1076701746.db2.gz VXODHNRNXFRXAY-UHFFFAOYSA-N -1 3 316.752 2.038 20 30 DEEDHM COCC[C@H]1CCCC1=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC001591402727 1076741085 /nfs/dbraw/zinc/74/10/85/1076741085.db2.gz OADSGUSVSARKBY-CYBMUJFWSA-N -1 3 314.393 2.149 20 30 DEEDHM COCC[C@H]1CCCC1=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC001591402727 1076741087 /nfs/dbraw/zinc/74/10/87/1076741087.db2.gz OADSGUSVSARKBY-CYBMUJFWSA-N -1 3 314.393 2.149 20 30 DEEDHM COc1cc(-c2nn[n-]n2)ccc1NCc1cccc(C#N)c1 ZINC001591495015 1076750831 /nfs/dbraw/zinc/75/08/31/1076750831.db2.gz MXBUIBUTIBRICJ-UHFFFAOYSA-N -1 3 306.329 2.359 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CN[C@@H](CC#N)C(F)(F)F ZINC001591852436 1076794669 /nfs/dbraw/zinc/79/46/69/1076794669.db2.gz YMNMJFDBMGRISS-LBPRGKRZSA-N -1 3 324.310 2.418 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CN[C@@H](CC#N)C(F)(F)F ZINC001591852436 1076794672 /nfs/dbraw/zinc/79/46/72/1076794672.db2.gz YMNMJFDBMGRISS-LBPRGKRZSA-N -1 3 324.310 2.418 20 30 DEEDHM Cc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)ccc1C#N ZINC001591958864 1076816574 /nfs/dbraw/zinc/81/65/74/1076816574.db2.gz QNUBIQYMLMOMME-UHFFFAOYSA-N -1 3 303.329 2.493 20 30 DEEDHM Cc1cc(CNc2n[nH]c(C3CC3)c2C#N)ccc1-c1nnn[n-]1 ZINC001591969562 1076819782 /nfs/dbraw/zinc/81/97/82/1076819782.db2.gz 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ZINC001592506225 1076922863 /nfs/dbraw/zinc/92/28/63/1076922863.db2.gz YLZAFAQYILORCH-SECBINFHSA-N -1 3 322.328 2.131 20 30 DEEDHM Cc1oc(C#N)cc1C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001592506225 1076922866 /nfs/dbraw/zinc/92/28/66/1076922866.db2.gz YLZAFAQYILORCH-SECBINFHSA-N -1 3 322.328 2.131 20 30 DEEDHM Cn1ncc(C2CCC2)c1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC001592600612 1076932451 /nfs/dbraw/zinc/93/24/51/1076932451.db2.gz ODPPGWJFMCYHJM-UHFFFAOYSA-N -1 3 322.376 2.314 20 30 DEEDHM Cn1ncc(C2CCC2)c1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC001592600612 1076932454 /nfs/dbraw/zinc/93/24/54/1076932454.db2.gz ODPPGWJFMCYHJM-UHFFFAOYSA-N -1 3 322.376 2.314 20 30 DEEDHM N#CC1(CNc2cccc(Cl)c2-c2nnn[n-]2)CCOCC1 ZINC001592670078 1076949700 /nfs/dbraw/zinc/94/97/00/1076949700.db2.gz SFRNJCOPWMONKH-UHFFFAOYSA-N -1 3 318.768 2.252 20 30 DEEDHM N#CC1(CNc2cccc(Cl)c2-c2nn[n-]n2)CCOCC1 ZINC001592670078 1076949705 /nfs/dbraw/zinc/94/97/05/1076949705.db2.gz SFRNJCOPWMONKH-UHFFFAOYSA-N -1 3 318.768 2.252 20 30 DEEDHM 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DEEDHM N#Cc1c[nH]c(C(=O)Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)c1 ZINC001581863310 1076104873 /nfs/dbraw/zinc/10/48/73/1076104873.db2.gz HXNMZKQJGQWZLF-UHFFFAOYSA-N -1 3 319.328 2.196 20 30 DEEDHM N#Cc1cscc1C(=O)N1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001581878358 1076106957 /nfs/dbraw/zinc/10/69/57/1076106957.db2.gz HROPRSQJSBXVAS-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM N#Cc1cscc1C(=O)N1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001581878358 1076106960 /nfs/dbraw/zinc/10/69/60/1076106960.db2.gz HROPRSQJSBXVAS-UHFFFAOYSA-N -1 3 322.353 2.003 20 30 DEEDHM N#Cc1cscc1C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001581878496 1076107367 /nfs/dbraw/zinc/10/73/67/1076107367.db2.gz OBBZAPZLZVEHNV-UHFFFAOYSA-N -1 3 302.344 2.114 20 30 DEEDHM N#Cc1cscc1C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001581878496 1076107371 /nfs/dbraw/zinc/10/73/71/1076107371.db2.gz OBBZAPZLZVEHNV-UHFFFAOYSA-N -1 3 302.344 2.114 20 30 DEEDHM C#CC(C)(C)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001588325610 1076440027 /nfs/dbraw/zinc/44/00/27/1076440027.db2.gz QKQSSPDNVRHBHS-UHFFFAOYSA-N -1 3 310.361 2.277 20 30 DEEDHM C#CC(C)(C)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001588325610 1076440031 /nfs/dbraw/zinc/44/00/31/1076440031.db2.gz QKQSSPDNVRHBHS-UHFFFAOYSA-N -1 3 310.361 2.277 20 30 DEEDHM C#CC1(NC(=O)Nc2cccc(-c3nnn[n-]3)c2C)CCCC1 ZINC001588333236 1076440836 /nfs/dbraw/zinc/44/08/36/1076440836.db2.gz IEJBNSDBOZWZGX-UHFFFAOYSA-N -1 3 310.361 2.243 20 30 DEEDHM C#CC1(NC(=O)Nc2cccc(-c3nn[n-]n3)c2C)CCCC1 ZINC001588333236 1076440842 /nfs/dbraw/zinc/44/08/42/1076440842.db2.gz IEJBNSDBOZWZGX-UHFFFAOYSA-N -1 3 310.361 2.243 20 30 DEEDHM C#CC[C@@H]1CCN(C(=O)Nc2scc(C)c2-c2nnn[n-]2)C1 ZINC001588337253 1076442477 /nfs/dbraw/zinc/44/24/77/1076442477.db2.gz LRSUTAYPYUPVDD-SNVBAGLBSA-N -1 3 316.390 2.114 20 30 DEEDHM C#CC[C@@H]1CCN(C(=O)Nc2scc(C)c2-c2nn[n-]n2)C1 ZINC001588337253 1076442481 /nfs/dbraw/zinc/44/24/81/1076442481.db2.gz LRSUTAYPYUPVDD-SNVBAGLBSA-N -1 3 316.390 2.114 20 30 DEEDHM C#CCCCCNc1nc2cc(Cl)ccn2c1-c1nnn[n-]1 ZINC001588345820 1076443414 /nfs/dbraw/zinc/44/34/14/1076443414.db2.gz LWCRSWWCCJECBB-UHFFFAOYSA-N -1 3 315.768 2.383 20 30 DEEDHM C#CCCCCNc1nc2cc(Cl)ccn2c1-c1nn[n-]n1 ZINC001588345820 1076443417 /nfs/dbraw/zinc/44/34/17/1076443417.db2.gz LWCRSWWCCJECBB-UHFFFAOYSA-N -1 3 315.768 2.383 20 30 DEEDHM C#CCN(Cc1cc(Cl)cc(-c2nn[n-]n2)c1)C1CSC1 ZINC001588350569 1076443450 /nfs/dbraw/zinc/44/34/50/1076443450.db2.gz FEYQSFKLXBJISO-UHFFFAOYSA-N -1 3 319.821 2.071 20 30 DEEDHM C#Cc1ccc(NCc2ccc(-c3nnn[n-]3)c(OC)c2)cc1 ZINC001588374693 1076444531 /nfs/dbraw/zinc/44/45/31/1076444531.db2.gz JIOIAESZYHHNBF-UHFFFAOYSA-N -1 3 305.341 2.469 20 30 DEEDHM C#Cc1ccc(NCc2ccc(-c3nn[n-]n3)c(OC)c2)cc1 ZINC001588374693 1076444532 /nfs/dbraw/zinc/44/45/32/1076444532.db2.gz JIOIAESZYHHNBF-UHFFFAOYSA-N -1 3 305.341 2.469 20 30 DEEDHM C#Cc1cncc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC001588379169 1076444667 /nfs/dbraw/zinc/44/46/67/1076444667.db2.gz ADBUKUABBOADMW-UHFFFAOYSA-N -1 3 324.731 2.149 20 30 DEEDHM C#Cc1cncc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC001588379169 1076444669 /nfs/dbraw/zinc/44/46/69/1076444669.db2.gz ADBUKUABBOADMW-UHFFFAOYSA-N -1 3 324.731 2.149 20 30 DEEDHM C=C(C)COCC[NH2+][C@H](CC)c1cccc(-c2nn[n-]n2)c1[O-] ZINC001588429067 1076447770 /nfs/dbraw/zinc/44/77/70/1076447770.db2.gz NOMOEJJELOQYMP-CQSZACIVSA-N -1 3 317.393 2.206 20 30 DEEDHM C=C(C)CNC(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC001588430217 1076448199 /nfs/dbraw/zinc/44/81/99/1076448199.db2.gz NVHWHZQPVZYPFL-UHFFFAOYSA-N -1 3 316.365 2.352 20 30 DEEDHM C=C(C)CNC(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC001588430217 1076448203 /nfs/dbraw/zinc/44/82/03/1076448203.db2.gz NVHWHZQPVZYPFL-UHFFFAOYSA-N -1 3 316.365 2.352 20 30 DEEDHM C=C(CC(C)C)C(=O)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001588442084 1076448468 /nfs/dbraw/zinc/44/84/68/1076448468.db2.gz KRNKQXBUEKISBC-UHFFFAOYSA-N -1 3 301.354 2.008 20 30 DEEDHM C=C1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC001588462756 1076449396 /nfs/dbraw/zinc/44/93/96/1076449396.db2.gz QQWIFTCJJLCCDS-UHFFFAOYSA-N -1 3 315.337 2.328 20 30 DEEDHM C=C1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)CC1 ZINC001588462756 1076449397 /nfs/dbraw/zinc/44/93/97/1076449397.db2.gz QQWIFTCJJLCCDS-UHFFFAOYSA-N -1 3 315.337 2.328 20 30 DEEDHM C=C(Cl)CNC(=O)C(C)(C)c1ccc(-c2nnn[n-]2)cc1 ZINC001588449278 1076449574 /nfs/dbraw/zinc/44/95/74/1076449574.db2.gz KKQAZPWGXOTCHU-UHFFFAOYSA-N -1 3 305.769 2.013 20 30 DEEDHM C=C(Cl)CNC(=O)C(C)(C)c1ccc(-c2nn[n-]n2)cc1 ZINC001588449278 1076449580 /nfs/dbraw/zinc/44/95/80/1076449580.db2.gz KKQAZPWGXOTCHU-UHFFFAOYSA-N -1 3 305.769 2.013 20 30 DEEDHM C=CC(C)(C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588481895 1076450726 /nfs/dbraw/zinc/45/07/26/1076450726.db2.gz PBMTYVRVKYRZIF-UHFFFAOYSA-N -1 3 317.305 2.030 20 30 DEEDHM C=CC(C)(C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588481895 1076450728 /nfs/dbraw/zinc/45/07/28/1076450728.db2.gz PBMTYVRVKYRZIF-UHFFFAOYSA-N -1 3 317.305 2.030 20 30 DEEDHM C=CCC(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588539529 1076452573 /nfs/dbraw/zinc/45/25/73/1076452573.db2.gz OSVMBUOVMMYRLS-UHFFFAOYSA-N -1 3 301.350 2.416 20 30 DEEDHM C=CCC(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588539529 1076452575 /nfs/dbraw/zinc/45/25/75/1076452575.db2.gz OSVMBUOVMMYRLS-UHFFFAOYSA-N -1 3 301.350 2.416 20 30 DEEDHM C=CC[C@@H]1CCCN(C(=O)c2cscc2-c2nnn[n-]2)C1 ZINC001588559100 1076453674 /nfs/dbraw/zinc/45/36/74/1076453674.db2.gz HGABOMVSXVVPQL-SNVBAGLBSA-N -1 3 303.391 2.357 20 30 DEEDHM C=CC[C@@H]1CCCN(C(=O)c2cscc2-c2nn[n-]n2)C1 ZINC001588559100 1076453676 /nfs/dbraw/zinc/45/36/76/1076453676.db2.gz HGABOMVSXVVPQL-SNVBAGLBSA-N -1 3 303.391 2.357 20 30 DEEDHM C=CCC(F)(F)C(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588545271 1076453861 /nfs/dbraw/zinc/45/38/61/1076453861.db2.gz DEWGMVSAKVWYFM-UHFFFAOYSA-N -1 3 319.315 2.183 20 30 DEEDHM C=CCC(F)(F)C(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588545271 1076453862 /nfs/dbraw/zinc/45/38/62/1076453862.db2.gz DEWGMVSAKVWYFM-UHFFFAOYSA-N -1 3 319.315 2.183 20 30 DEEDHM C=CCCCN(C)c1ncc(Br)cc1-c1nnn[n-]1 ZINC001588601623 1076457013 /nfs/dbraw/zinc/45/70/13/1076457013.db2.gz QYMFDCSYTBEAOT-UHFFFAOYSA-N -1 3 323.198 2.427 20 30 DEEDHM C=CCCCN(C)c1ncc(Br)cc1-c1nn[n-]n1 ZINC001588601623 1076457018 /nfs/dbraw/zinc/45/70/18/1076457018.db2.gz QYMFDCSYTBEAOT-UHFFFAOYSA-N -1 3 323.198 2.427 20 30 DEEDHM C=CCN(C(=S)Nc1ccccc1-c1nnn[n-]1)C(C)C ZINC001588625419 1076458104 /nfs/dbraw/zinc/45/81/04/1076458104.db2.gz JEZCXISSIWOBGR-UHFFFAOYSA-N -1 3 302.407 2.460 20 30 DEEDHM C=CCN(C(=S)Nc1ccccc1-c1nn[n-]n1)C(C)C ZINC001588625419 1076458107 /nfs/dbraw/zinc/45/81/07/1076458107.db2.gz JEZCXISSIWOBGR-UHFFFAOYSA-N -1 3 302.407 2.460 20 30 DEEDHM C=C[C@@H]1OCC[C@H]1Nc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC001588727969 1076461547 /nfs/dbraw/zinc/46/15/47/1076461547.db2.gz LNRPCRKWKLOQGC-KGLIPLIRSA-N -1 3 308.345 2.170 20 30 DEEDHM C=C[C@@H]1OCC[C@H]1Nc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC001588727969 1076461551 /nfs/dbraw/zinc/46/15/51/1076461551.db2.gz LNRPCRKWKLOQGC-KGLIPLIRSA-N -1 3 308.345 2.170 20 30 DEEDHM CC(=NNc1ccncc1Cl)c1ccccc1-c1nnn[n-]1 ZINC001588781231 1076465503 /nfs/dbraw/zinc/46/55/03/1076465503.db2.gz NWDAGPWJVRRTHV-UHFFFAOYSA-N -1 3 313.752 2.173 20 30 DEEDHM CC(=NNc1ccncc1Cl)c1ccccc1-c1nn[n-]n1 ZINC001588781231 1076465506 /nfs/dbraw/zinc/46/55/06/1076465506.db2.gz NWDAGPWJVRRTHV-UHFFFAOYSA-N -1 3 313.752 2.173 20 30 DEEDHM CC(C)(CCC#N)COC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589271988 1076483283 /nfs/dbraw/zinc/48/32/83/1076483283.db2.gz CPVDJFASNVEOQX-UHFFFAOYSA-N -1 3 313.361 2.282 20 30 DEEDHM CC(C)(CCC#N)COC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589271988 1076483288 /nfs/dbraw/zinc/48/32/88/1076483288.db2.gz CPVDJFASNVEOQX-UHFFFAOYSA-N -1 3 313.361 2.282 20 30 DEEDHM CC(C)[C@@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001589419350 1076489350 /nfs/dbraw/zinc/48/93/50/1076489350.db2.gz OBOQVGNFXFZNCZ-CQSZACIVSA-N -1 3 318.768 2.188 20 30 DEEDHM CC(C)[C@@](C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001589419350 1076489352 /nfs/dbraw/zinc/48/93/52/1076489352.db2.gz OBOQVGNFXFZNCZ-CQSZACIVSA-N -1 3 318.768 2.188 20 30 DEEDHM C[C@@H](Nc1ncc(C#N)cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC001589989108 1076543012 /nfs/dbraw/zinc/54/30/12/1076543012.db2.gz VMLZCZIIACCOLM-SECBINFHSA-N -1 3 309.308 2.446 20 30 DEEDHM C[C@@H](Nc1ncc(C#N)cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001589989108 1076543018 /nfs/dbraw/zinc/54/30/18/1076543018.db2.gz VMLZCZIIACCOLM-SECBINFHSA-N -1 3 309.308 2.446 20 30 DEEDHM C[C@]1(C#N)CCCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001590054092 1076554385 /nfs/dbraw/zinc/55/43/85/1076554385.db2.gz IGEMVVHCISSBKC-OAHLLOKOSA-N -1 3 300.341 2.131 20 30 DEEDHM C[C@]1(C#N)CCCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001590054092 1076554390 /nfs/dbraw/zinc/55/43/90/1076554390.db2.gz IGEMVVHCISSBKC-OAHLLOKOSA-N -1 3 300.341 2.131 20 30 DEEDHM CC[C@@H](C)NN=Cc1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001590413831 1076624420 /nfs/dbraw/zinc/62/44/20/1076624420.db2.gz FZUYAVUJEJPZKU-CYBMUJFWSA-N -1 3 323.404 2.439 20 30 DEEDHM CC[C@@H](C)NN=Cc1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001590413831 1076624422 /nfs/dbraw/zinc/62/44/22/1076624422.db2.gz FZUYAVUJEJPZKU-CYBMUJFWSA-N -1 3 323.404 2.439 20 30 DEEDHM CCN(C(=O)c1csc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590676004 1076666912 /nfs/dbraw/zinc/66/69/12/1076666912.db2.gz DXKHKPBGGPRCHN-UHFFFAOYSA-N -1 3 324.369 2.467 20 30 DEEDHM CCN(C(=O)c1csc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590676004 1076666914 /nfs/dbraw/zinc/66/69/14/1076666914.db2.gz DXKHKPBGGPRCHN-UHFFFAOYSA-N -1 3 324.369 2.467 20 30 DEEDHM CCn1cc(C(=O)C=Cc2cccc(F)c2-c2nnn[n-]2)cn1 ZINC001590949659 1076698267 /nfs/dbraw/zinc/69/82/67/1076698267.db2.gz IZKGSUBZVCWOHE-VOTSOKGWSA-N -1 3 312.308 2.118 20 30 DEEDHM CCn1cc(C(=O)C=Cc2cccc(F)c2-c2nn[n-]n2)cn1 ZINC001590949659 1076698268 /nfs/dbraw/zinc/69/82/68/1076698268.db2.gz IZKGSUBZVCWOHE-VOTSOKGWSA-N -1 3 312.308 2.118 20 30 DEEDHM COc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1O ZINC001591571635 1076759901 /nfs/dbraw/zinc/75/99/01/1076759901.db2.gz OWTOCRPMMSNTNJ-ALCCZGGFSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1O ZINC001591571635 1076759903 /nfs/dbraw/zinc/75/99/03/1076759903.db2.gz OWTOCRPMMSNTNJ-ALCCZGGFSA-N -1 3 322.324 2.477 20 30 DEEDHM COc1ccc(F)c(CNc2c(C#N)cccc2-c2nnn[n-]2)c1 ZINC001591605342 1076764053 /nfs/dbraw/zinc/76/40/53/1076764053.db2.gz FZAWVLFHCUZKKZ-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1ccc(F)c(CNc2c(C#N)cccc2-c2nn[n-]n2)c1 ZINC001591605342 1076764055 /nfs/dbraw/zinc/76/40/55/1076764055.db2.gz FZAWVLFHCUZKKZ-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM CSCCON=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC001591701553 1076777134 /nfs/dbraw/zinc/77/71/34/1076777134.db2.gz WENRGNSBXXJREB-UHFFFAOYSA-N -1 3 303.391 2.287 20 30 DEEDHM CSCCON=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC001591701553 1076777136 /nfs/dbraw/zinc/77/71/36/1076777136.db2.gz WENRGNSBXXJREB-UHFFFAOYSA-N -1 3 303.391 2.287 20 30 DEEDHM Cc1c(C(=O)N[C@](C)(C#N)C(C)(C)C)cccc1-c1nnn[n-]1 ZINC001591805061 1076786579 /nfs/dbraw/zinc/78/65/79/1076786579.db2.gz BVSUYLHDJDPKMJ-MRXNPFEDSA-N -1 3 312.377 2.233 20 30 DEEDHM Cc1c(C(=O)N[C@](C)(C#N)C(C)(C)C)cccc1-c1nn[n-]n1 ZINC001591805061 1076786582 /nfs/dbraw/zinc/78/65/82/1076786582.db2.gz BVSUYLHDJDPKMJ-MRXNPFEDSA-N -1 3 312.377 2.233 20 30 DEEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)O[C@@H](C#N)C(C)C ZINC001591845484 1076793128 /nfs/dbraw/zinc/79/31/28/1076793128.db2.gz YACRHJHTOIAXBH-AWEZNQCLSA-N -1 3 313.361 2.117 20 30 DEEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)O[C@@H](C#N)C(C)C ZINC001591845484 1076793130 /nfs/dbraw/zinc/79/31/30/1076793130.db2.gz YACRHJHTOIAXBH-AWEZNQCLSA-N -1 3 313.361 2.117 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1ccc(C)cc1Cl ZINC001592172168 1076866608 /nfs/dbraw/zinc/86/66/08/1076866608.db2.gz ZKHAPKQZSKJWDK-UHFFFAOYSA-N -1 3 313.752 2.253 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1ccc(C)cc1Cl ZINC001592172168 1076866613 /nfs/dbraw/zinc/86/66/13/1076866613.db2.gz ZKHAPKQZSKJWDK-UHFFFAOYSA-N -1 3 313.752 2.253 20 30 DEEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC[C@H]1CCCC1(F)F ZINC001592341025 1076900434 /nfs/dbraw/zinc/90/04/34/1076900434.db2.gz ODPLFCCHTSZMFJ-SECBINFHSA-N -1 3 307.308 2.069 20 30 DEEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC[C@H]1CCCC1(F)F ZINC001592341025 1076900441 /nfs/dbraw/zinc/90/04/41/1076900441.db2.gz ODPLFCCHTSZMFJ-SECBINFHSA-N -1 3 307.308 2.069 20 30 DEEDHM N#CC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(F)c2)CCCC1 ZINC001592666917 1076948536 /nfs/dbraw/zinc/94/85/36/1076948536.db2.gz NMGOHOSGTZZNLF-UHFFFAOYSA-N -1 3 300.297 2.028 20 30 DEEDHM N#CC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(F)c2)CCCC1 ZINC001592666917 1076948538 /nfs/dbraw/zinc/94/85/38/1076948538.db2.gz NMGOHOSGTZZNLF-UHFFFAOYSA-N -1 3 300.297 2.028 20 30 DEEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1CC=CC1 ZINC001592670093 1076949192 /nfs/dbraw/zinc/94/91/92/1076949192.db2.gz WFTNAOPKOGCGFS-OAHLLOKOSA-N -1 3 323.356 2.058 20 30 DEEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1CC=CC1 ZINC001592670093 1076949195 /nfs/dbraw/zinc/94/91/95/1076949195.db2.gz WFTNAOPKOGCGFS-OAHLLOKOSA-N -1 3 323.356 2.058 20 30 DEEDHM N#C[C@@]1(F)CCN(c2cccc(C(F)F)c2-c2nnn[n-]2)C1 ZINC001592670872 1076949692 /nfs/dbraw/zinc/94/96/92/1076949692.db2.gz STLSSJPKZNOOOQ-ZDUSSCGKSA-N -1 3 308.267 2.246 20 30 DEEDHM N#C[C@@]1(F)CCN(c2cccc(C(F)F)c2-c2nn[n-]n2)C1 ZINC001592670872 1076949694 /nfs/dbraw/zinc/94/96/94/1076949694.db2.gz STLSSJPKZNOOOQ-ZDUSSCGKSA-N -1 3 308.267 2.246 20 30 DEEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)c1nc(C2CCC2)no1 ZINC001592670231 1076949802 /nfs/dbraw/zinc/94/98/02/1076949802.db2.gz XNXCJWLZLLRUOX-ZDUSSCGKSA-N -1 3 321.344 2.367 20 30 DEEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)c1nc(C2CCC2)no1 ZINC001592670231 1076949804 /nfs/dbraw/zinc/94/98/04/1076949804.db2.gz XNXCJWLZLLRUOX-ZDUSSCGKSA-N -1 3 321.344 2.367 20 30 DEEDHM N#CCCSc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001592678088 1076952126 /nfs/dbraw/zinc/95/21/26/1076952126.db2.gz MKRVZJXZIDFRDH-UHFFFAOYSA-N -1 3 311.168 2.030 20 30 DEEDHM N#CCCSc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001592678088 1076952129 /nfs/dbraw/zinc/95/21/29/1076952129.db2.gz MKRVZJXZIDFRDH-UHFFFAOYSA-N -1 3 311.168 2.030 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1(CCO)CCCC1 ZINC001592699413 1076954894 /nfs/dbraw/zinc/95/48/94/1076954894.db2.gz YWMOGZOXXOYOCM-UHFFFAOYSA-N -1 3 312.377 2.093 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1(CCO)CCCC1 ZINC001592699413 1076954898 /nfs/dbraw/zinc/95/48/98/1076954898.db2.gz YWMOGZOXXOYOCM-UHFFFAOYSA-N -1 3 312.377 2.093 20 30 DEEDHM N#Cc1cccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC001592701218 1076955536 /nfs/dbraw/zinc/95/55/36/1076955536.db2.gz IHFHLZOXGZRIMC-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM N#Cc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC001592701218 1076955541 /nfs/dbraw/zinc/95/55/41/1076955541.db2.gz IHFHLZOXGZRIMC-UHFFFAOYSA-N -1 3 308.276 2.130 20 30 DEEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H](O)c1ccc(F)cc1 ZINC001592699743 1076955568 /nfs/dbraw/zinc/95/55/68/1076955568.db2.gz KOIIJQVESPAWEW-AWEZNQCLSA-N -1 3 324.319 2.023 20 30 DEEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H](O)c1ccc(F)cc1 ZINC001592699743 1076955571 /nfs/dbraw/zinc/95/55/71/1076955571.db2.gz KOIIJQVESPAWEW-AWEZNQCLSA-N -1 3 324.319 2.023 20 30 DEEDHM N#Cc1cccc(Sc2nnccc2-c2nnn[n-]2)c1Cl ZINC001592703339 1076955876 /nfs/dbraw/zinc/95/58/76/1076955876.db2.gz PREHBWPZJPEGBQ-UHFFFAOYSA-N -1 3 315.749 2.333 20 30 DEEDHM N#Cc1nccnc1Sc1cccc(-c2nnn[n-]2)c1Cl ZINC001592710106 1076957090 /nfs/dbraw/zinc/95/70/90/1076957090.db2.gz VVGSSSWDXZWMPV-UHFFFAOYSA-N -1 3 315.749 2.333 20 30 DEEDHM N#Cc1nccnc1Sc1cccc(-c2nn[n-]n2)c1Cl ZINC001592710106 1076957093 /nfs/dbraw/zinc/95/70/93/1076957093.db2.gz VVGSSSWDXZWMPV-UHFFFAOYSA-N -1 3 315.749 2.333 20 30 DEEDHM O=C(C=Cc1cc(F)ncc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC001592791354 1076959681 /nfs/dbraw/zinc/95/96/81/1076959681.db2.gz JOJXUJCQIOFDPD-WAYWQWQTSA-N -1 3 313.267 2.436 20 30 DEEDHM O=C(C=Cc1cc(F)ncc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001592791354 1076959682 /nfs/dbraw/zinc/95/96/82/1076959682.db2.gz JOJXUJCQIOFDPD-WAYWQWQTSA-N -1 3 313.267 2.436 20 30 DEEDHM Cn1nccc1-c1ccccc1CN1CCC(C#N)(C(=O)[O-])CC1 ZINC001601031761 1077323458 /nfs/dbraw/zinc/32/34/58/1077323458.db2.gz IQUXUNPYPVRWEV-UHFFFAOYSA-N -1 3 324.384 2.277 20 30 DEEDHM N#CCc1ccc(CN[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC001608188160 1077604767 /nfs/dbraw/zinc/60/47/67/1077604767.db2.gz KSWSIIWXOQYZCC-CQSZACIVSA-N -1 3 310.357 2.272 20 30 DEEDHM N#Cc1ccccc1CN1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1 ZINC001608220108 1077612508 /nfs/dbraw/zinc/61/25/08/1077612508.db2.gz NUXMAMRAKFARDA-GOSISDBHSA-N -1 3 314.385 2.140 20 30 DEEDHM C=C[C@H](COC)Nc1nc(C(C)(C)C)ccc1-c1nnn[n-]1 ZINC001609052499 1077750014 /nfs/dbraw/zinc/75/00/14/1077750014.db2.gz FGVBTWDTGHKGFY-SNVBAGLBSA-N -1 3 302.382 2.172 20 30 DEEDHM C=C[C@H](COC)Nc1nc(C(C)(C)C)ccc1-c1nn[n-]n1 ZINC001609052499 1077750016 /nfs/dbraw/zinc/75/00/16/1077750016.db2.gz FGVBTWDTGHKGFY-SNVBAGLBSA-N -1 3 302.382 2.172 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1F ZINC001609055410 1077750645 /nfs/dbraw/zinc/75/06/45/1077750645.db2.gz ZGGUHJGXMYKEGF-JTQLQIEISA-N -1 3 320.324 2.030 20 30 DEEDHM C=CCCO[C@@H](C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1F ZINC001609055410 1077750647 /nfs/dbraw/zinc/75/06/47/1077750647.db2.gz ZGGUHJGXMYKEGF-JTQLQIEISA-N -1 3 320.324 2.030 20 30 DEEDHM C=CCCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001609054754 1077750985 /nfs/dbraw/zinc/75/09/85/1077750985.db2.gz GOUUZUXVXNQCNF-CQSZACIVSA-N -1 3 311.345 2.058 20 30 DEEDHM C=CCCCOC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001609054754 1077750986 /nfs/dbraw/zinc/75/09/86/1077750986.db2.gz GOUUZUXVXNQCNF-CQSZACIVSA-N -1 3 311.345 2.058 20 30 DEEDHM C=CCN(C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)C1CC1 ZINC001609055942 1077751528 /nfs/dbraw/zinc/75/15/28/1077751528.db2.gz HCFSESQBKMOSCL-UHFFFAOYSA-N -1 3 303.753 2.311 20 30 DEEDHM C=CCN(C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)C1CC1 ZINC001609055942 1077751533 /nfs/dbraw/zinc/75/15/33/1077751533.db2.gz HCFSESQBKMOSCL-UHFFFAOYSA-N -1 3 303.753 2.311 20 30 DEEDHM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001609090460 1077757476 /nfs/dbraw/zinc/75/74/76/1077757476.db2.gz UVAHSNBIKYHYAL-CJNGLKHVSA-N -1 3 310.361 2.359 20 30 DEEDHM CC(C)[C@]1(C)C[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001609090460 1077757482 /nfs/dbraw/zinc/75/74/82/1077757482.db2.gz UVAHSNBIKYHYAL-CJNGLKHVSA-N -1 3 310.361 2.359 20 30 DEEDHM CCc1c(C)sc(NC(=O)CC2(C#N)CC2)c1-c1nnn[n-]1 ZINC001609249882 1077813850 /nfs/dbraw/zinc/81/38/50/1077813850.db2.gz XNPLQXOGVHRZSL-UHFFFAOYSA-N -1 3 316.390 2.431 20 30 DEEDHM CCc1c(C)sc(NC(=O)CC2(C#N)CC2)c1-c1nn[n-]n1 ZINC001609249882 1077813855 /nfs/dbraw/zinc/81/38/55/1077813855.db2.gz XNPLQXOGVHRZSL-UHFFFAOYSA-N -1 3 316.390 2.431 20 30 DEEDHM COc1cc(C=NNCc2cccc(C)c2)ccc1-c1nnn[n-]1 ZINC001609341369 1077836603 /nfs/dbraw/zinc/83/66/03/1077836603.db2.gz NEKGTTAWEPIQPH-UHFFFAOYSA-N -1 3 322.372 2.307 20 30 DEEDHM COc1cc(C=NNCc2cccc(C)c2)ccc1-c1nn[n-]n1 ZINC001609341369 1077836611 /nfs/dbraw/zinc/83/66/11/1077836611.db2.gz NEKGTTAWEPIQPH-UHFFFAOYSA-N -1 3 322.372 2.307 20 30 DEEDHM COc1ccc(F)cc1CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001609357373 1077840458 /nfs/dbraw/zinc/84/04/58/1077840458.db2.gz ZBIYYJDJVZVOQK-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM COc1ccc(F)cc1CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001609357373 1077840461 /nfs/dbraw/zinc/84/04/61/1077840461.db2.gz ZBIYYJDJVZVOQK-UHFFFAOYSA-N -1 3 324.319 2.498 20 30 DEEDHM Cc1c2c(nc(SCCCC#N)c1-c1nnn[n-]1)CCC2 ZINC001609385761 1077846605 /nfs/dbraw/zinc/84/66/05/1077846605.db2.gz ZVFYVDKSZBSMKO-UHFFFAOYSA-N -1 3 300.391 2.455 20 30 DEEDHM Cc1c2c(nc(SCCCC#N)c1-c1nn[n-]n1)CCC2 ZINC001609385761 1077846607 /nfs/dbraw/zinc/84/66/07/1077846607.db2.gz ZVFYVDKSZBSMKO-UHFFFAOYSA-N -1 3 300.391 2.455 20 30 DEEDHM Cc1csc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c1C#N ZINC001609443499 1077861109 /nfs/dbraw/zinc/86/11/09/1077861109.db2.gz IFLXPBOMZYYYPK-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Cc1csc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c1C#N ZINC001609443499 1077861111 /nfs/dbraw/zinc/86/11/11/1077861111.db2.gz IFLXPBOMZYYYPK-UHFFFAOYSA-N -1 3 310.342 2.361 20 30 DEEDHM Fc1ccc(CNN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC001609490802 1077869654 /nfs/dbraw/zinc/86/96/54/1077869654.db2.gz ZHQCOQMHMWAWKA-UHFFFAOYSA-N -1 3 302.338 2.191 20 30 DEEDHM Fc1ccc(CNN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC001609490802 1077869656 /nfs/dbraw/zinc/86/96/56/1077869656.db2.gz ZHQCOQMHMWAWKA-UHFFFAOYSA-N -1 3 302.338 2.191 20 30 DEEDHM N#CCOc1cccc(C=Cc2ccncc2-c2nnn[n-]2)c1 ZINC001609496191 1077870823 /nfs/dbraw/zinc/87/08/23/1077870823.db2.gz UPCFBDVJCURIOT-SNAWJCMRSA-N -1 3 304.313 2.334 20 30 DEEDHM N#CCOc1cccc(C=Cc2ccncc2-c2nn[n-]n2)c1 ZINC001609496191 1077870827 /nfs/dbraw/zinc/87/08/27/1077870827.db2.gz UPCFBDVJCURIOT-SNAWJCMRSA-N -1 3 304.313 2.334 20 30 DEEDHM C[C@H](NC(=O)c1ccco1)C(=O)N([O-])Cc1ccccc1Cl ZINC001651225981 1079795526 /nfs/dbraw/zinc/79/55/26/1079795526.db2.gz GFLRGVMRLWKXFX-JTQLQIEISA-N -1 3 322.748 2.469 20 30 DEEDHM N#Cc1c[n-]n2c1nc(CN1CC=CC13CCCCC3)cc2=O ZINC001655133751 1079986676 /nfs/dbraw/zinc/98/66/76/1079986676.db2.gz OCYADQHDZXYLAZ-UHFFFAOYSA-N -1 3 309.373 2.381 20 30 DEEDHM C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1O ZINC001656463137 1080095137 /nfs/dbraw/zinc/09/51/37/1080095137.db2.gz OMINXSJPOYYFJG-SECBINFHSA-N -1 3 308.384 2.365 20 30 DEEDHM Cc1oc(-c2cccs2)nc1CN[C@@H]1CCCN([O-])C1=O ZINC001658472845 1080208636 /nfs/dbraw/zinc/20/86/36/1080208636.db2.gz HGVGWVBGKBDDBZ-SNVBAGLBSA-N -1 3 307.375 2.181 20 30 DEEDHM CCCCCCC[C@H](C)C[N-]S(=O)(=O)c1nncn1C ZINC001660925392 1080415502 /nfs/dbraw/zinc/41/55/02/1080415502.db2.gz HVJXPMOJUMOUMQ-LBPRGKRZSA-N -1 3 302.444 2.090 20 30 DEEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1cc2cnccc2o1 ZINC001665138527 1080993892 /nfs/dbraw/zinc/99/38/92/1080993892.db2.gz NAGWWTMCFPFKON-SECBINFHSA-N -1 3 317.326 2.332 20 30 DEEDHM C=CCN1CCC2(CCN(C(=O)c3ccccc3[O-])CC2)C1=O ZINC001269682253 1081333768 /nfs/dbraw/zinc/33/37/68/1081333768.db2.gz BLIQMKHLOIMIHE-UHFFFAOYSA-N -1 3 314.385 2.033 20 30 DEEDHM N#CCN1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000963249911 1086352592 /nfs/dbraw/zinc/35/25/92/1086352592.db2.gz JNMGXMUWDVBSOB-GOEBONIOSA-N -1 3 313.401 2.232 20 30 DEEDHM CSc1nc(Cl)c(/C=N/[O-])c(N2CCn3cccc3C2)n1 ZINC001166602214 1090179054 /nfs/dbraw/zinc/17/90/54/1090179054.db2.gz XZDWTGYFUBYBFA-VIZOYTHASA-N -1 3 323.809 2.482 20 30 DEEDHM Cc1oc(C#N)cc1C(=O)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC001412404874 1091372732 /nfs/dbraw/zinc/37/27/32/1091372732.db2.gz DVVLURMDTKXBHU-UHFFFAOYSA-N -1 3 312.329 2.153 20 30 DEEDHM N#Cc1cc(F)c(C(=O)[N-]c2csc(C(N)=O)c2)c(F)c1 ZINC001411405669 1091706291 /nfs/dbraw/zinc/70/62/91/1091706291.db2.gz SPILFGKKCLXJGZ-UHFFFAOYSA-N -1 3 307.281 2.249 20 30 DEEDHM C=C1CCC(C(=O)NCCCNC(=O)c2ccccc2[O-])CC1 ZINC001293156250 1138894820 /nfs/dbraw/zinc/89/48/20/1138894820.db2.gz YHUOWXSWVQTUTP-UHFFFAOYSA-N -1 3 316.401 2.375 20 30 DEEDHM CCc1ccc2c(c1)C(=N[N-]c1nncc(N)c1Cl)C(=O)N2 ZINC001319377839 1140559881 /nfs/dbraw/zinc/55/98/81/1140559881.db2.gz VRYQLVPZFOOAPE-UHFFFAOYSA-N -1 3 316.752 2.043 20 30 DEEDHM COC(=O)c1coc(C(=O)[N-]c2cnc(Cl)cc2C#N)c1 ZINC001321297169 1141131656 /nfs/dbraw/zinc/13/16/56/1141131656.db2.gz ICJKUJHVVBBKHF-UHFFFAOYSA-N -1 3 305.677 2.239 20 30 DEEDHM C=CCCNC(=S)Nc1ncc([O-])cc1Br ZINC001247599868 1141386113 /nfs/dbraw/zinc/38/61/13/1141386113.db2.gz FMSQZBVFBZBVSN-UHFFFAOYSA-N -1 3 302.197 2.412 20 30 DEEDHM Cc1cc(Cl)ccc1NC(=S)N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001248441937 1141795826 /nfs/dbraw/zinc/79/58/26/1141795826.db2.gz SNTBUFPQCDFAJA-KWQFWETISA-N -1 3 313.810 2.171 20 30 DEEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCCC1(C)C ZINC001339606651 1143062452 /nfs/dbraw/zinc/06/24/52/1143062452.db2.gz KRMWPGJYESZHRG-UHFFFAOYSA-N -1 3 300.366 2.006 20 30 DEEDHM C=C(C)Cn1c(-c2cc(=O)[n-]c(C)n2)nnc1N1CC[C@H](C)C1 ZINC001341839939 1143720541 /nfs/dbraw/zinc/72/05/41/1143720541.db2.gz 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