smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2nc[nH]n2)c1 ZINC001028209025 739161337 /nfs/dbraw/zinc/16/13/37/739161337.db2.gz CVFDIKVDDTXJFK-AWEZNQCLSA-N 0 2 310.361 1.071 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001064310149 754606744 /nfs/dbraw/zinc/60/67/44/754606744.db2.gz FYEZHUOTUMUMQC-HTQZYQBOSA-N 0 2 309.263 1.202 20 30 DDEDLN COC(=O)c1cc(C#N)cc(NC(=O)C(CO)C(F)(F)F)c1 ZINC001183286357 743820459 /nfs/dbraw/zinc/82/04/59/743820459.db2.gz XRUJXABKQZWKSW-SNVBAGLBSA-N 0 2 316.235 1.454 20 30 DDEDLN COC(=O)c1cc(C#N)cc(NC(=O)[C@@H](CO)C(F)(F)F)c1 ZINC001183286357 743820464 /nfs/dbraw/zinc/82/04/64/743820464.db2.gz XRUJXABKQZWKSW-SNVBAGLBSA-N 0 2 316.235 1.454 20 30 DDEDLN C[C@@H](C#N)S(=O)(=O)Nc1cnc2cc(C(C)(C)C)nn2c1 ZINC001193110659 745981658 /nfs/dbraw/zinc/98/16/58/745981658.db2.gz ALDLYIODEOCDSF-VIFPVBQESA-N 0 2 307.379 1.681 20 30 DDEDLN CSc1n[nH]c(NC(=O)c2ccc(O)c(C#N)c2)c1C(N)=O ZINC001193497807 746119704 /nfs/dbraw/zinc/11/97/04/746119704.db2.gz AWBLFZBBVVORDK-UHFFFAOYSA-N 0 2 317.330 1.060 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(OC)nc2)c1 ZINC001193636507 746157091 /nfs/dbraw/zinc/15/70/91/746157091.db2.gz TYLFQERWXQDXRA-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001032484875 750998496 /nfs/dbraw/zinc/99/84/96/750998496.db2.gz QLEOXBASGDFSHV-JYJNAYRXSA-N 0 2 314.433 1.697 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1(NC(=O)C(F)C(F)(F)F)CCC1 ZINC001064310149 754606738 /nfs/dbraw/zinc/60/67/38/754606738.db2.gz FYEZHUOTUMUMQC-HTQZYQBOSA-N 0 2 309.263 1.202 20 30 DDEDLN C[C@@H](CNc1ccncc1C#N)NC(=O)C(F)C(F)(F)F ZINC001108739675 762897338 /nfs/dbraw/zinc/89/73/38/762897338.db2.gz NFDLEMBRKHGRQD-OIBJUYFYSA-N 0 2 304.247 1.192 20 30 DDEDLN C[C@@H](CNc1ccncc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001108739675 762897344 /nfs/dbraw/zinc/89/73/44/762897344.db2.gz NFDLEMBRKHGRQD-OIBJUYFYSA-N 0 2 304.247 1.192 20 30 DDEDLN C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001109276132 763538571 /nfs/dbraw/zinc/53/85/71/763538571.db2.gz ZAOJKLLGQLFWMZ-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H](F)C(F)(F)F ZINC001109276132 763538579 /nfs/dbraw/zinc/53/85/79/763538579.db2.gz ZAOJKLLGQLFWMZ-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN Cc1[nH+]c[nH]c1CC(=O)NC1CC(CNc2ccc(C#N)cn2)C1 ZINC001067859912 766761384 /nfs/dbraw/zinc/76/13/84/766761384.db2.gz ALBIMWCQHWMTKQ-UHFFFAOYSA-N 0 2 324.388 1.534 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001071807002 770105557 /nfs/dbraw/zinc/10/55/57/770105557.db2.gz LGETXIXTRKKDCV-VXGBXAGGSA-N 0 2 319.409 1.336 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001071807002 770105561 /nfs/dbraw/zinc/10/55/61/770105561.db2.gz LGETXIXTRKKDCV-VXGBXAGGSA-N 0 2 319.409 1.336 20 30 DDEDLN C[C@H](CCNC(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001099742632 775211491 /nfs/dbraw/zinc/21/14/91/775211491.db2.gz VLFQDZSFWKDNBZ-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNC(=O)[C@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001099742632 775211496 /nfs/dbraw/zinc/21/14/96/775211496.db2.gz VLFQDZSFWKDNBZ-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNC(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001099742062 775211576 /nfs/dbraw/zinc/21/15/76/775211576.db2.gz GRIXAZHVKMXYAL-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNC(=O)[C@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001099742062 775211582 /nfs/dbraw/zinc/21/15/82/775211582.db2.gz GRIXAZHVKMXYAL-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1cncc(C#N)n1 ZINC001100748177 776496521 /nfs/dbraw/zinc/49/65/21/776496521.db2.gz SCTSBEDMCUKWLK-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN CCN(CCNC(=O)[C@H](F)C(F)(F)F)c1cncc(C#N)n1 ZINC001100748177 776496524 /nfs/dbraw/zinc/49/65/24/776496524.db2.gz SCTSBEDMCUKWLK-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN CC[C@H](CNC(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001103340916 778801923 /nfs/dbraw/zinc/80/19/23/778801923.db2.gz OYJCWMWXGRBGCV-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001103340916 778801931 /nfs/dbraw/zinc/80/19/31/778801931.db2.gz OYJCWMWXGRBGCV-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001267541409 838273746 /nfs/dbraw/zinc/27/37/46/838273746.db2.gz ACNLGYKQGPCJHU-ZDUSSCGKSA-N 0 2 321.425 1.680 20 30 DDEDLN C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001267541409 838273756 /nfs/dbraw/zinc/27/37/56/838273756.db2.gz ACNLGYKQGPCJHU-ZDUSSCGKSA-N 0 2 321.425 1.680 20 30 DDEDLN CC#CC[N@@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364176 848418046 /nfs/dbraw/zinc/41/80/46/848418046.db2.gz IRQBJEKBJBMHGG-INIZCTEOSA-N 0 2 317.433 1.949 20 30 DDEDLN COc1cnc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)nc1 ZINC001361377233 881528299 /nfs/dbraw/zinc/52/82/99/881528299.db2.gz SSHFWHHJHUGNFD-UHFFFAOYSA-N 0 2 317.330 1.432 20 30 DDEDLN COc1ccc2c(=O)cc(C(=O)Nc3nc[nH]c3C#N)[nH]c2c1 ZINC001154113357 864418584 /nfs/dbraw/zinc/41/85/84/864418584.db2.gz RUEOGIVSVQDOCL-UHFFFAOYSA-N 0 2 309.285 1.384 20 30 DDEDLN N#C[C@@H](C(=O)[C@H]1CCCN(C2CC2)C1=O)c1cccc(F)n1 ZINC001342958873 872451257 /nfs/dbraw/zinc/45/12/57/872451257.db2.gz KMRNOERTRXQWJP-VXGBXAGGSA-N 0 2 301.321 1.798 20 30 DDEDLN Cn1c(=O)[nH]c(N[C@@H]2CSc3ccccc32)c(C#N)c1=O ZINC001413875901 879740795 /nfs/dbraw/zinc/74/07/95/879740795.db2.gz BAVCBKGFDBGKBF-SNVBAGLBSA-N 0 2 300.343 1.204 20 30 DDEDLN N#Cc1c[nH]c(=O)n(CC(=O)c2cccc(C(F)(F)F)c2)c1=O ZINC001413931275 881330831 /nfs/dbraw/zinc/33/08/31/881330831.db2.gz PORDIJMNNICACL-UHFFFAOYSA-N 0 2 323.230 1.310 20 30 DDEDLN C#C[C@@H](CCC)Oc1nc(I)cc(=O)[nH]1 ZINC001228946549 883744460 /nfs/dbraw/zinc/74/44/60/883744460.db2.gz LYCZKPIPGGACLA-ZETCQYMHSA-N 0 2 318.114 1.968 20 30 DDEDLN CCOC(=O)c1c[nH]c(NC(=O)c2ccc(C#N)c(O)c2)n1 ZINC001362823677 884726558 /nfs/dbraw/zinc/72/65/58/884726558.db2.gz ZMSYMACRAUZJCX-UHFFFAOYSA-N 0 2 300.274 1.416 20 30 DDEDLN N#Cc1cc(NC(=O)CC2SC(=N)NC2=O)ccc1C1CC1 ZINC001363748029 887130644 /nfs/dbraw/zinc/13/06/44/887130644.db2.gz AWTJQKJFZDBYRA-LBPRGKRZSA-N 0 2 314.370 1.931 20 30 DDEDLN Cn1c(=O)[nH]c(NCc2ccc(OC(F)F)cc2)c(C#N)c1=O ZINC001364131141 887990168 /nfs/dbraw/zinc/99/01/68/887990168.db2.gz UCKHQUHKMYKOLJ-UHFFFAOYSA-N 0 2 322.271 1.159 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2cscc2Br)c1=O ZINC001364618156 889048521 /nfs/dbraw/zinc/04/85/21/889048521.db2.gz YXCWMYLMVUFKDY-UHFFFAOYSA-N 0 2 312.148 1.281 20 30 DDEDLN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)C(F)C(F)(F)F ZINC001386732858 891589055 /nfs/dbraw/zinc/58/90/55/891589055.db2.gz XCGXZCMVRUGKMB-RCOVLWMOSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H](F)C(F)(F)F ZINC001386732858 891589074 /nfs/dbraw/zinc/58/90/74/891589074.db2.gz XCGXZCMVRUGKMB-RCOVLWMOSA-N 0 2 320.246 1.021 20 30 DDEDLN C#Cc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cn1 ZINC001254379357 896395016 /nfs/dbraw/zinc/39/50/16/896395016.db2.gz WXWOVLRWGKLYCK-UHFFFAOYSA-N 0 2 318.354 1.881 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cn(C)nc2C#N)c(OC)c1 ZINC001258953268 898383196 /nfs/dbraw/zinc/38/31/96/898383196.db2.gz PHMNNXZZNTYINZ-UHFFFAOYSA-N 0 2 322.346 1.110 20 30 DDEDLN C#Cc1cccnc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001259339099 898614389 /nfs/dbraw/zinc/61/43/89/898614389.db2.gz FREMMHCZUCJIOZ-UHFFFAOYSA-N 0 2 316.338 1.635 20 30 DDEDLN COc1nccc(NS(=O)(=O)c2ccc(F)c(C#N)c2)n1 ZINC001259410902 898655199 /nfs/dbraw/zinc/65/51/99/898655199.db2.gz FXVFOUFSXQPCGS-UHFFFAOYSA-N 0 2 308.294 1.297 20 30 DDEDLN Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)nn1-c1ccccc1 ZINC000076906237 185053417 /nfs/dbraw/zinc/05/34/17/185053417.db2.gz MYSXFECCYQGZMF-UHFFFAOYSA-N 0 2 317.312 1.899 20 30 DDEDLN CCn1cc(-c2[nH]ncc2C(=O)NCC(C)(C)CC#N)cn1 ZINC000457989352 232169128 /nfs/dbraw/zinc/16/91/28/232169128.db2.gz DZMPRIYPLUHSDT-UHFFFAOYSA-N 0 2 300.366 1.963 20 30 DDEDLN N#Cc1cccc(C=CC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000492820279 234605722 /nfs/dbraw/zinc/60/57/22/234605722.db2.gz AWNAXUMTUFNZCL-AFNCTOJWSA-N 0 2 323.356 1.801 20 30 DDEDLN C=CCCC[C@@H](C)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000179789886 354263803 /nfs/dbraw/zinc/26/38/03/354263803.db2.gz PEDVZWBNUKZWTL-SECBINFHSA-N 0 2 302.334 1.086 20 30 DDEDLN CC(C)(C)n1nccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000589590865 355003004 /nfs/dbraw/zinc/00/30/04/355003004.db2.gz CUWPIXBKNWVSQJ-UHFFFAOYSA-N 0 2 305.363 1.706 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2ccc3c(n2)CCC3)cc1C#N ZINC000590744964 355160477 /nfs/dbraw/zinc/16/04/77/355160477.db2.gz YMOAEKAKJWKBKS-UHFFFAOYSA-N 0 2 314.370 1.946 20 30 DDEDLN N#CC[C@]1(O)CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000592843950 355712924 /nfs/dbraw/zinc/71/29/24/355712924.db2.gz IDYMTGGJQAJRBF-INIZCTEOSA-N 0 2 312.329 1.069 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2ncn(C(C)C)n2)cc1C#N ZINC000593282654 355844352 /nfs/dbraw/zinc/84/43/52/355844352.db2.gz BHAADANLSYRGPA-UHFFFAOYSA-N 0 2 306.351 1.235 20 30 DDEDLN O=C(CNC(=O)c1cc(F)c(F)c(O)c1F)N1CCCC1 ZINC000330581062 223127851 /nfs/dbraw/zinc/12/78/51/223127851.db2.gz QHTACVLIVRPVOB-UHFFFAOYSA-N 0 2 302.252 1.737 20 30 DDEDLN C[C@H]1COCCN1CCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000331240272 223196406 /nfs/dbraw/zinc/19/64/06/223196406.db2.gz PGAJECZCYMRXAT-VIFPVBQESA-N 0 2 300.305 1.696 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1O ZINC000566282392 304137716 /nfs/dbraw/zinc/13/77/16/304137716.db2.gz FLUQSKWMMGGLCO-NSHDSACASA-N 0 2 313.317 1.107 20 30 DDEDLN Cc1nn(C)c2nc(C)cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)c12 ZINC000026267736 248184746 /nfs/dbraw/zinc/18/47/46/248184746.db2.gz MHOSJLSVJAPOND-UHFFFAOYSA-N 0 2 320.316 1.304 20 30 DDEDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000055373170 407202226 /nfs/dbraw/zinc/20/22/26/407202226.db2.gz IFYQABIYRMGSKV-UHFFFAOYSA-N 0 2 304.375 1.904 20 30 DDEDLN CC(C)Oc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1C#N ZINC000152634618 407662173 /nfs/dbraw/zinc/66/21/73/407662173.db2.gz QHJUHKPPLRUPHM-UHFFFAOYSA-N 0 2 306.347 1.869 20 30 DDEDLN COC[C@@](C)(C#N)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000272648192 408004712 /nfs/dbraw/zinc/00/47/12/408004712.db2.gz MLRMBJWVLXTBAS-OAHLLOKOSA-N 0 2 318.308 1.375 20 30 DDEDLN CC(C)(C#N)c1ccc(NC(=O)NCc2n[nH]c(=O)[nH]2)cc1 ZINC000137058786 408137811 /nfs/dbraw/zinc/13/78/11/408137811.db2.gz FTHWQELVFLZBSZ-UHFFFAOYSA-N 0 2 300.322 1.221 20 30 DDEDLN COC[C@@](C)(C#N)NC(=O)C1=NN(c2ccccc2)CC1=O ZINC000269643615 408372190 /nfs/dbraw/zinc/37/21/90/408372190.db2.gz YMLWKQFKDGOPDT-OAHLLOKOSA-N 0 2 300.318 1.236 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC2(CCO)CCC2)cc1C#N ZINC000160163530 408460641 /nfs/dbraw/zinc/46/06/41/408460641.db2.gz NGVMCYMPTKTXOL-UHFFFAOYSA-N 0 2 321.402 1.251 20 30 DDEDLN N#Cc1nc(NC(=O)C2=Cc3cc(F)ccc3OC2)[nH]c1C#N ZINC000161079596 408556986 /nfs/dbraw/zinc/55/69/86/408556986.db2.gz VSNHVASKNQTZGY-UHFFFAOYSA-N 0 2 309.260 1.707 20 30 DDEDLN Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)cc1[N+](=O)[O-] ZINC000161675279 408628271 /nfs/dbraw/zinc/62/82/71/408628271.db2.gz HLBFFCVTZMMEFF-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN C[C@@H]1CCCN1S(=O)(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000185262936 408788003 /nfs/dbraw/zinc/78/80/03/408788003.db2.gz JYDPHYNWPCMZGK-SNVBAGLBSA-N 0 2 311.411 1.651 20 30 DDEDLN N#Cc1ccc(CN2CC[C@@H](NC(=O)C(F)(F)F)C2=O)cc1 ZINC000191075641 163171161 /nfs/dbraw/zinc/17/11/61/163171161.db2.gz FZKQVHIQINPZAG-LLVKDONJSA-N 0 2 311.263 1.338 20 30 DDEDLN C[C@H]1CCC[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000408485682 164346602 /nfs/dbraw/zinc/34/66/02/164346602.db2.gz HRHBKCSQJKYGOE-CMPLNLGQSA-N 0 2 307.375 1.584 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)nn1 ZINC000354124815 409673807 /nfs/dbraw/zinc/67/38/07/409673807.db2.gz PJNUBJFASSHDGZ-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)c1c[nH]nc1C ZINC000347404093 410524169 /nfs/dbraw/zinc/52/41/69/410524169.db2.gz AAZUHSZVBYAPLS-UHFFFAOYSA-N 0 2 306.347 1.789 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc(N(C)C)ncn1 ZINC000430066075 420077523 /nfs/dbraw/zinc/07/75/23/420077523.db2.gz NZEUWQOOWQLMFN-UHFFFAOYSA-N 0 2 317.374 1.524 20 30 DDEDLN CC1(c2nc(=NC(=O)COc3ccc(C#N)cc3)s[nH]2)CC1 ZINC000529702080 421553149 /nfs/dbraw/zinc/55/31/49/421553149.db2.gz GSEFUEOADXQEPV-UHFFFAOYSA-N 0 2 314.370 1.901 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)CCCC2CCOCC2)s1 ZINC000592382660 422333087 /nfs/dbraw/zinc/33/30/87/422333087.db2.gz SVHYZTREKZMPGO-UHFFFAOYSA-N 0 2 315.420 1.963 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2C[C@@H](C)O)cc1C#N ZINC000344650966 272079560 /nfs/dbraw/zinc/07/95/60/272079560.db2.gz BKCJUWUYEKAEFB-MWLCHTKSSA-N 0 2 321.402 1.756 20 30 DDEDLN CC(=O)N1CC[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000330882018 278053446 /nfs/dbraw/zinc/05/34/46/278053446.db2.gz IXZKHEWIPCOUTP-ZETCQYMHSA-N 0 2 302.252 1.735 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2)n2ncnc2n1 ZINC000340365993 301364069 /nfs/dbraw/zinc/36/40/69/301364069.db2.gz NIECSDDYAOZJRM-UHFFFAOYSA-N 0 2 314.330 1.105 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000515596758 337993716 /nfs/dbraw/zinc/99/37/16/337993716.db2.gz SKPPULYZLCRDOM-NEPJUHHUSA-N 0 2 300.318 1.707 20 30 DDEDLN CCCCc1cnc(NS(=O)(=O)c2cncc(C#N)c2)nc1 ZINC000451100509 529033288 /nfs/dbraw/zinc/03/32/88/529033288.db2.gz UWEQTQZWFUNCCT-UHFFFAOYSA-N 0 2 317.374 1.887 20 30 DDEDLN Cc1sc(NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[O-])c(C#N)c1C ZINC000830957452 603753109 /nfs/dbraw/zinc/75/31/09/603753109.db2.gz PLKSHKDOSFNMRL-QMMMGPOBSA-N 0 2 324.406 1.763 20 30 DDEDLN Cc1sc(NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[O-])c(C#N)c1C ZINC000830957452 603753111 /nfs/dbraw/zinc/75/31/11/603753111.db2.gz PLKSHKDOSFNMRL-QMMMGPOBSA-N 0 2 324.406 1.763 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000827881792 603845903 /nfs/dbraw/zinc/84/59/03/603845903.db2.gz HXGIFSBQKKQFRY-CYBMUJFWSA-N 0 2 302.334 1.181 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000827881792 603845908 /nfs/dbraw/zinc/84/59/08/603845908.db2.gz HXGIFSBQKKQFRY-CYBMUJFWSA-N 0 2 302.334 1.181 20 30 DDEDLN C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])C1CC1 ZINC000823648770 603985429 /nfs/dbraw/zinc/98/54/29/603985429.db2.gz WZPSCHRFEPLFOG-WWGRRREGSA-N 0 2 320.393 1.012 20 30 DDEDLN C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])C1CC1 ZINC000823648770 603985433 /nfs/dbraw/zinc/98/54/33/603985433.db2.gz WZPSCHRFEPLFOG-WWGRRREGSA-N 0 2 320.393 1.012 20 30 DDEDLN C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738641090 605930664 /nfs/dbraw/zinc/93/06/64/605930664.db2.gz XJKUXUKDKKZNCD-JQWIXIFHSA-N 0 2 302.334 1.227 20 30 DDEDLN C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738641090 605930665 /nfs/dbraw/zinc/93/06/65/605930665.db2.gz XJKUXUKDKKZNCD-JQWIXIFHSA-N 0 2 302.334 1.227 20 30 DDEDLN Cn1ccnc1C(=O)C(C#N)=C(O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000123053102 696728159 /nfs/dbraw/zinc/72/81/59/696728159.db2.gz VJOMPYXIHGHURL-CHWSQXEVSA-N 0 2 323.308 1.093 20 30 DDEDLN Cn1ccnc1C(=O)[C@H](C#N)C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000123053102 696728160 /nfs/dbraw/zinc/72/81/60/696728160.db2.gz VJOMPYXIHGHURL-CHWSQXEVSA-N 0 2 323.308 1.093 20 30 DDEDLN CC(=O)c1cccc(S(=O)(=O)Nc2cnn(CC#N)c2)c1 ZINC000747408452 700068712 /nfs/dbraw/zinc/06/87/12/700068712.db2.gz ZTYHLJSFHOPXGY-UHFFFAOYSA-N 0 2 304.331 1.410 20 30 DDEDLN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cn[nH]c2)C1=O ZINC000192738859 697638146 /nfs/dbraw/zinc/63/81/46/697638146.db2.gz MHUBYNHOGRSUCV-OAHLLOKOSA-N 0 2 321.381 1.726 20 30 DDEDLN COc1c(O)c(CN=Nc2cc(C)ncn2)ccc1[N+](=O)[O-] ZINC000773053674 697707618 /nfs/dbraw/zinc/70/76/18/697707618.db2.gz MISGKARPAVACDG-UHFFFAOYSA-N 0 2 303.278 1.853 20 30 DDEDLN N#Cc1cccc(NS(=O)(=O)c2cnn(CC3CC3)c2)c1 ZINC000777595578 698206264 /nfs/dbraw/zinc/20/62/64/698206264.db2.gz HPNPKONMGCGDOB-UHFFFAOYSA-N 0 2 302.359 1.966 20 30 DDEDLN C#CCOc1cc(F)ccc1NC(=O)CC1SC(=N)NC1=O ZINC000742708683 699887554 /nfs/dbraw/zinc/88/75/54/699887554.db2.gz WVAKPOUERPBGKK-LLVKDONJSA-N 0 2 321.333 1.333 20 30 DDEDLN CC1CCC(OCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CC1 ZINC000796776136 699952084 /nfs/dbraw/zinc/95/20/84/699952084.db2.gz TUWMAOJIWAIIOG-WXRRBKDZSA-N 0 2 303.362 1.907 20 30 DDEDLN C=C[C@@H](C)ONC(=O)c1cccc(C(=O)NO[C@@H](C)C=C)c1O ZINC000846554522 703296193 /nfs/dbraw/zinc/29/61/93/703296193.db2.gz KEWBAPQBUHWDEY-PHIMTYICSA-N 0 2 320.345 1.864 20 30 DDEDLN CCO[C@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C1CCCC1 ZINC000870244171 703971466 /nfs/dbraw/zinc/97/14/66/703971466.db2.gz VUBVHELJZZWPFD-DOMZBBRYSA-N 0 2 303.362 1.907 20 30 DDEDLN N#Cc1ccc(F)c(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000854365018 704386272 /nfs/dbraw/zinc/38/62/72/704386272.db2.gz LNVBVZWYWBKCOD-JTQLQIEISA-N 0 2 315.308 1.541 20 30 DDEDLN C#C[C@H](CO)NC(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000854775549 704450641 /nfs/dbraw/zinc/45/06/41/704450641.db2.gz NJPUVQALYGUMOG-CYBMUJFWSA-N 0 2 313.357 1.425 20 30 DDEDLN Cc1ccc(Cn2cc(CNC(=O)C(F)(F)F)nn2)cc1C#N ZINC000881301227 707187817 /nfs/dbraw/zinc/18/78/17/707187817.db2.gz PCYCSTGSWGPICY-UHFFFAOYSA-N 0 2 323.278 1.685 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1)C(=O)[O-] ZINC000909712988 709592577 /nfs/dbraw/zinc/59/25/77/709592577.db2.gz CMQMZEJRYAPVPV-RDBSUJKOSA-N 0 2 312.410 1.411 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1)C(=O)[O-] ZINC000909712988 709592582 /nfs/dbraw/zinc/59/25/82/709592582.db2.gz CMQMZEJRYAPVPV-RDBSUJKOSA-N 0 2 312.410 1.411 20 30 DDEDLN C=C(C)C[C@H](NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1)C(=O)[O-] ZINC000910292760 709871404 /nfs/dbraw/zinc/87/14/04/709871404.db2.gz IFQBBNYODPICNV-MELADBBJSA-N 0 2 312.410 1.411 20 30 DDEDLN C=C(C)C[C@H](NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1)C(=O)[O-] ZINC000910292760 709871407 /nfs/dbraw/zinc/87/14/07/709871407.db2.gz IFQBBNYODPICNV-MELADBBJSA-N 0 2 312.410 1.411 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@H]1CCC2(CCC2)O1 ZINC000892862799 710514778 /nfs/dbraw/zinc/51/47/78/710514778.db2.gz DTRIBSHEBVOSFR-NEPJUHHUSA-N 0 2 301.346 1.803 20 30 DDEDLN O=[N+]([O-])c1cc(C=NNC(=S)NC[C@@H]2CCCO2)ccc1O ZINC000916312257 713450899 /nfs/dbraw/zinc/45/08/99/713450899.db2.gz QCRCKIJHQOKTEB-JTQLQIEISA-N 0 2 324.362 1.277 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000941291711 717147761 /nfs/dbraw/zinc/14/77/61/717147761.db2.gz UCZRUMBAEWRFII-IUCAKERBSA-N 0 2 309.263 1.107 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000941291711 717147760 /nfs/dbraw/zinc/14/77/60/717147760.db2.gz UCZRUMBAEWRFII-IUCAKERBSA-N 0 2 309.263 1.107 20 30 DDEDLN CC#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461084 719599771 /nfs/dbraw/zinc/59/97/71/719599771.db2.gz ZYRMFJSTPVMZPD-DLBZAZTESA-N 0 2 305.466 1.568 20 30 DDEDLN C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000968925441 719874829 /nfs/dbraw/zinc/87/48/29/719874829.db2.gz DHMWURZFWOIBRK-HZPDHXFCSA-N 0 2 316.449 1.992 20 30 DDEDLN C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028260746 739247727 /nfs/dbraw/zinc/24/77/27/739247727.db2.gz ZTRXGOKLTOBXND-OAHLLOKOSA-N 0 2 323.400 1.485 20 30 DDEDLN C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1CC ZINC001087630510 740683808 /nfs/dbraw/zinc/68/38/08/740683808.db2.gz MPXZRFZPJOVEQZ-SOUVJXGZSA-N 0 2 302.422 1.601 20 30 DDEDLN COC(=O)c1scc(C#N)c1NC(=O)[C@H](CO)C(F)(F)F ZINC001183277626 743805861 /nfs/dbraw/zinc/80/58/61/743805861.db2.gz AGINNRAFBOYBMF-LURJTMIESA-N 0 2 322.264 1.516 20 30 DDEDLN COC(=O)c1scc(C#N)c1NC(=O)C(CO)C(F)(F)F ZINC001183277626 743805854 /nfs/dbraw/zinc/80/58/54/743805854.db2.gz AGINNRAFBOYBMF-LURJTMIESA-N 0 2 322.264 1.516 20 30 DDEDLN N#Cc1cccc(NS(=O)(=O)c2ccc3nsnc3c2)n1 ZINC001186225922 744359190 /nfs/dbraw/zinc/35/91/90/744359190.db2.gz JZTUOEZDSKXEBE-UHFFFAOYSA-N 0 2 317.355 1.759 20 30 DDEDLN N#Cc1[nH]cnc1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O ZINC001190257825 745163097 /nfs/dbraw/zinc/16/30/97/745163097.db2.gz KPUYAUJYXNJAEU-UHFFFAOYSA-N 0 2 306.285 1.696 20 30 DDEDLN C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190444813 745209228 /nfs/dbraw/zinc/20/92/28/745209228.db2.gz RYMGHPZXNOHODB-ZIAGYGMSSA-N 0 2 319.852 1.952 20 30 DDEDLN C=C[C@@H]1C[C@@]1(NC(=O)c1ccc(F)c(F)c1O)C(=O)OCC ZINC001192810953 745901253 /nfs/dbraw/zinc/90/12/53/745901253.db2.gz MURRIZGMXZVOFA-GLEZIHRCSA-N 0 2 311.284 1.908 20 30 DDEDLN CSc1nc(NC(=O)c2ccc(O)c(C#N)c2)cc(=O)[nH]1 ZINC001193498290 746119964 /nfs/dbraw/zinc/11/99/64/746119964.db2.gz JUZYWZVQPAXGAP-UHFFFAOYSA-N 0 2 302.315 1.734 20 30 DDEDLN C=C[C@@H](C)[C@@H](C)C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC001196853064 746990971 /nfs/dbraw/zinc/99/09/71/746990971.db2.gz GFGBRKZELHXDPT-VXGBXAGGSA-N 0 2 307.398 1.003 20 30 DDEDLN CCN(CCNc1cncc(C#N)n1)C(=O)C(F)C(F)(F)F ZINC001106976097 748456388 /nfs/dbraw/zinc/45/63/88/748456388.db2.gz SRIUEKGNOFHHNL-SNVBAGLBSA-N 0 2 319.262 1.509 20 30 DDEDLN CCN(CCNc1cncc(C#N)n1)C(=O)[C@@H](F)C(F)(F)F ZINC001106976097 748456394 /nfs/dbraw/zinc/45/63/94/748456394.db2.gz SRIUEKGNOFHHNL-SNVBAGLBSA-N 0 2 319.262 1.509 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc(C)c3[O-])CC[C@@H]21 ZINC001036691435 753410879 /nfs/dbraw/zinc/41/08/79/753410879.db2.gz OYIAOUVNOPOYJN-NEPJUHHUSA-N 0 2 324.812 1.713 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc(C)c3[O-])CC[C@@H]21 ZINC001036691435 753410883 /nfs/dbraw/zinc/41/08/83/753410883.db2.gz OYIAOUVNOPOYJN-NEPJUHHUSA-N 0 2 324.812 1.713 20 30 DDEDLN C[C@@H](CNc1ncccc1C#N)NC(=O)C(F)C(F)(F)F ZINC001108739938 762898079 /nfs/dbraw/zinc/89/80/79/762898079.db2.gz UVACIKAUDZSRKR-CBAPKCEASA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNc1ncccc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001108739938 762898087 /nfs/dbraw/zinc/89/80/87/762898087.db2.gz UVACIKAUDZSRKR-CBAPKCEASA-N 0 2 304.247 1.770 20 30 DDEDLN CN(CCCNc1cncc(C#N)n1)C(=O)C(F)C(F)(F)F ZINC001109645702 763906338 /nfs/dbraw/zinc/90/63/38/763906338.db2.gz QDVCLDQSLJOEEH-JTQLQIEISA-N 0 2 319.262 1.509 20 30 DDEDLN CN(CCCNc1cncc(C#N)n1)C(=O)[C@H](F)C(F)(F)F ZINC001109645702 763906342 /nfs/dbraw/zinc/90/63/42/763906342.db2.gz QDVCLDQSLJOEEH-JTQLQIEISA-N 0 2 319.262 1.509 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132060889 768596029 /nfs/dbraw/zinc/59/60/29/768596029.db2.gz MSWTVFNWNULCBD-VXGBXAGGSA-N 0 2 321.425 1.582 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132060889 768596032 /nfs/dbraw/zinc/59/60/32/768596032.db2.gz MSWTVFNWNULCBD-VXGBXAGGSA-N 0 2 321.425 1.582 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001071807000 770105876 /nfs/dbraw/zinc/10/58/76/770105876.db2.gz LGETXIXTRKKDCV-NWDGAFQWSA-N 0 2 319.409 1.336 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001071807000 770105881 /nfs/dbraw/zinc/10/58/81/770105881.db2.gz LGETXIXTRKKDCV-NWDGAFQWSA-N 0 2 319.409 1.336 20 30 DDEDLN Cc1cc(C#N)nc(N(C)CCNC(=O)C(F)C(F)(F)F)n1 ZINC001100366923 776059645 /nfs/dbraw/zinc/05/96/45/776059645.db2.gz MSWVFVFPJJRCRJ-VIFPVBQESA-N 0 2 319.262 1.110 20 30 DDEDLN Cc1cc(C#N)nc(N(C)CCNC(=O)[C@H](F)C(F)(F)F)n1 ZINC001100366923 776059651 /nfs/dbraw/zinc/05/96/51/776059651.db2.gz MSWVFVFPJJRCRJ-VIFPVBQESA-N 0 2 319.262 1.110 20 30 DDEDLN CC#CCCCC(=O)NC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001299182336 844292558 /nfs/dbraw/zinc/29/25/58/844292558.db2.gz MMLZEYPCUUWLRD-NSHDSACASA-N 0 2 322.302 1.845 20 30 DDEDLN CC#CCCCC(=O)NC1(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001299182336 844292564 /nfs/dbraw/zinc/29/25/64/844292564.db2.gz MMLZEYPCUUWLRD-NSHDSACASA-N 0 2 322.302 1.845 20 30 DDEDLN C#CCC[N@H+]1Cc2ccc(CNC(=O)CCc3nc[nH]n3)cc2C1 ZINC001327684908 862387385 /nfs/dbraw/zinc/38/73/85/862387385.db2.gz IWLIKBYOZQUIEX-UHFFFAOYSA-N 0 2 323.400 1.393 20 30 DDEDLN C=CCOCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001329476350 863689509 /nfs/dbraw/zinc/68/95/09/863689509.db2.gz ZHWURURYXGHZSS-HUUCEWRRSA-N 0 2 320.437 1.085 20 30 DDEDLN C#Cc1ccc(CNC(=O)c2c[nH]c3cccnc3c2=O)cc1 ZINC001153861854 864172290 /nfs/dbraw/zinc/17/22/90/864172290.db2.gz LIJCASXYGUYTLM-UHFFFAOYSA-N 0 2 303.321 1.834 20 30 DDEDLN C=C[C@@H]1O[C@@H](Oc2nc(Cl)cc(=O)[nH]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001225564067 881907038 /nfs/dbraw/zinc/90/70/38/881907038.db2.gz WTUAEDFORWYDQL-JGBZZBSPSA-N 0 2 314.725 1.645 20 30 DDEDLN Cn1c(=O)[nH]c(NCCCc2c[nH]c3ccccc23)c(C#N)c1=O ZINC001162450676 867541034 /nfs/dbraw/zinc/54/10/34/867541034.db2.gz NMYBKGVMMACNPW-UHFFFAOYSA-N 0 2 323.356 1.471 20 30 DDEDLN Cc1cc(=O)[nH]c(O[C@@H]2C=CO[C@@H]3COC(C)(C)O[C@@H]23)c1C#N ZINC001226223815 882288660 /nfs/dbraw/zinc/28/86/60/882288660.db2.gz VBGISRGPJBGOJU-BZPMIXESSA-N 0 2 318.329 1.779 20 30 DDEDLN C=CCn1c(Nc2ccn(C)n2)nnc1-c1c[nH]n(CC)c1=O ZINC001340207098 870958077 /nfs/dbraw/zinc/95/80/77/870958077.db2.gz JXRDQBZVZCKEGJ-UHFFFAOYSA-N 0 2 314.353 1.530 20 30 DDEDLN N#C[C@@H](C(=O)C=Cc1ccncn1)c1nc(N)c2ccccc2n1 ZINC001341803983 871833713 /nfs/dbraw/zinc/83/37/13/871833713.db2.gz HIMDEYKRQXQXDF-GFUIURDCSA-N 0 2 316.324 1.892 20 30 DDEDLN CCOC(=O)c1ccc(C(=O)[C@@H](C#N)c2nccn2CC)nc1 ZINC001344874672 873157183 /nfs/dbraw/zinc/15/71/83/873157183.db2.gz DPWSLXCWRHLADE-GFCCVEGCSA-N 0 2 312.329 1.965 20 30 DDEDLN N#CC(C(=O)CCCN1C(=O)CCC1=O)c1ncc(F)cc1F ZINC001347993899 874330348 /nfs/dbraw/zinc/33/03/48/874330348.db2.gz PWIIPNMZJRXCLW-SNVBAGLBSA-N 0 2 321.283 1.465 20 30 DDEDLN C#CCN(CC)c1nnc(-c2n[nH]c(Cl)n2)n1CC1CC1 ZINC001351334228 876193106 /nfs/dbraw/zinc/19/31/06/876193106.db2.gz SSMLFROZYDAAIC-UHFFFAOYSA-N 0 2 305.773 1.586 20 30 DDEDLN C#CCN(C(C)=O)C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001358754372 880870615 /nfs/dbraw/zinc/87/06/15/880870615.db2.gz ZSQAUBSNUPOLCG-LLVKDONJSA-N 0 2 308.275 1.360 20 30 DDEDLN C#CCN(C(C)=O)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001358754372 880870605 /nfs/dbraw/zinc/87/06/05/880870605.db2.gz ZSQAUBSNUPOLCG-LLVKDONJSA-N 0 2 308.275 1.360 20 30 DDEDLN C=CCC(C)(C)C(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001229376559 883951604 /nfs/dbraw/zinc/95/16/04/883951604.db2.gz CLTFSJPGPFYYAU-UHFFFAOYSA-N 0 2 307.398 1.193 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)N1c2ccccc2C[C@@H]1CO ZINC001363235693 885788362 /nfs/dbraw/zinc/78/83/62/885788362.db2.gz CBRGZJKYQAEGOV-CYBMUJFWSA-N 0 2 309.325 1.531 20 30 DDEDLN C[C@H](NC(=O)COc1cccc(C#N)c1)c1nn(C)cc1O ZINC001364401489 888550192 /nfs/dbraw/zinc/55/01/92/888550192.db2.gz ZUAGODKXWGFRIG-JTQLQIEISA-N 0 2 300.318 1.254 20 30 DDEDLN CN(Cc1c(F)cccc1Cl)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001365217637 890373970 /nfs/dbraw/zinc/37/39/70/890373970.db2.gz FYOBUGPZCHXTGJ-UHFFFAOYSA-N 0 2 322.727 1.374 20 30 DDEDLN C#CCCCC(=O)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001292401415 913656997 /nfs/dbraw/zinc/65/69/97/913656997.db2.gz LVJAKMRZOQAVDH-LLVKDONJSA-N 0 2 308.275 1.361 20 30 DDEDLN C#CCCCC(=O)N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001292401415 913657009 /nfs/dbraw/zinc/65/70/09/913657009.db2.gz LVJAKMRZOQAVDH-LLVKDONJSA-N 0 2 308.275 1.361 20 30 DDEDLN C=C[C@](C)(O)CNc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001252565880 895283947 /nfs/dbraw/zinc/28/39/47/895283947.db2.gz YYHMAYPCBWTHLI-HNNXBMFYSA-N 0 2 313.317 1.322 20 30 DDEDLN CN(C)c1cncc(NS(=O)(=O)c2ccccc2C#N)c1 ZINC001258208450 898107562 /nfs/dbraw/zinc/10/75/62/898107562.db2.gz PYHJKJCYKLDYLD-UHFFFAOYSA-N 0 2 302.359 1.820 20 30 DDEDLN C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)NC(=O)C#CC1CC1 ZINC001281013557 904317926 /nfs/dbraw/zinc/31/79/26/904317926.db2.gz WXWUBFKUKNTSMJ-KWQFWETISA-N 0 2 308.275 1.263 20 30 DDEDLN C[C@@H](CN(C)C(=O)[C@H](F)C(F)(F)F)NC(=O)C#CC1CC1 ZINC001281013557 904317943 /nfs/dbraw/zinc/31/79/43/904317943.db2.gz WXWUBFKUKNTSMJ-KWQFWETISA-N 0 2 308.275 1.263 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1(NC(=O)C(F)C(F)(F)F)CCCC1 ZINC001375296442 915507455 /nfs/dbraw/zinc/50/74/55/915507455.db2.gz UAUVTQLRIXJWGM-IUCAKERBSA-N 0 2 323.290 1.592 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H](F)C(F)(F)F)CCCC1 ZINC001375296442 915507468 /nfs/dbraw/zinc/50/74/68/915507468.db2.gz UAUVTQLRIXJWGM-IUCAKERBSA-N 0 2 323.290 1.592 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC[C@@H]1CCCNC(=O)c1[nH]ncc1F ZINC001295980351 916163412 /nfs/dbraw/zinc/16/34/12/916163412.db2.gz PDPCYUGYZYRZSG-QWRGUYRKSA-N 0 2 321.356 1.209 20 30 DDEDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NCCCC#N ZINC000344011702 530024066 /nfs/dbraw/zinc/02/40/66/530024066.db2.gz MRACMKACCYQLNF-UHFFFAOYSA-N 0 2 305.363 1.842 20 30 DDEDLN COC(=O)Nc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000026266567 352206904 /nfs/dbraw/zinc/20/69/04/352206904.db2.gz STFAZIFUCUONEZ-UHFFFAOYSA-N 0 2 310.273 1.584 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)C[C@@H]2CCCCO2)cc1C#N ZINC000154478701 354206531 /nfs/dbraw/zinc/20/65/31/354206531.db2.gz PFFPFRIEIATHAF-NSHDSACASA-N 0 2 321.402 1.610 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N2CCC[C@](C)(C#N)C2)c1 ZINC000591777870 355383297 /nfs/dbraw/zinc/38/32/97/355383297.db2.gz KUGVTQOZEWSIEK-ZHRRBRCNSA-N 0 2 320.414 1.955 20 30 DDEDLN N#Cc1cccnc1N1CCN(c2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000593324601 355854538 /nfs/dbraw/zinc/85/45/38/355854538.db2.gz YGMLDQRRGRRCMQ-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2ncn(C(C)C)n2)cc1C#N ZINC000593785270 355994838 /nfs/dbraw/zinc/99/48/38/355994838.db2.gz ZTCZDHDWKXLZCP-UHFFFAOYSA-N 0 2 318.362 1.805 20 30 DDEDLN CC(C)(C)c1nc(=NC(=O)CC2(C#N)CCOCC2)s[nH]1 ZINC000597122391 357066942 /nfs/dbraw/zinc/06/69/42/357066942.db2.gz XGTJAANUZSEUEK-UHFFFAOYSA-N 0 2 308.407 1.906 20 30 DDEDLN C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000597443279 357177873 /nfs/dbraw/zinc/17/78/73/357177873.db2.gz SIOPCVBURXGBAB-LBPRGKRZSA-N 0 2 307.306 1.710 20 30 DDEDLN N#Cc1cccc(C2=NN([C@H]3CCCS(=O)(=O)C3)C(=O)C2)c1 ZINC000601956460 358752139 /nfs/dbraw/zinc/75/21/39/358752139.db2.gz ZYAAULAQWVMUJV-ZDUSSCGKSA-N 0 2 317.370 1.072 20 30 DDEDLN N#Cc1cccc(-c2cc(=O)n([C@H]3CCCS(=O)(=O)C3)[nH]2)c1 ZINC000601956460 358752141 /nfs/dbraw/zinc/75/21/41/358752141.db2.gz ZYAAULAQWVMUJV-ZDUSSCGKSA-N 0 2 317.370 1.072 20 30 DDEDLN COC[C@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C(C)C ZINC000610354134 360420501 /nfs/dbraw/zinc/42/05/01/360420501.db2.gz YLPPDPGJUIBNQO-NSHDSACASA-N 0 2 309.391 1.782 20 30 DDEDLN C=CCN(CCOC)C(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000613932038 361634164 /nfs/dbraw/zinc/63/41/64/361634164.db2.gz APFVBAYEIWNAKR-UHFFFAOYSA-N 0 2 303.318 1.305 20 30 DDEDLN CSc1ncc(Cl)c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)n1 ZINC000026268710 406903438 /nfs/dbraw/zinc/90/34/38/406903438.db2.gz MBGFEDUQKPOGRZ-UHFFFAOYSA-N 0 2 319.737 1.571 20 30 DDEDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(F)c(C#N)c1 ZINC000051637924 407141417 /nfs/dbraw/zinc/14/14/17/407141417.db2.gz QUDJCSZHEASQBO-UHFFFAOYSA-N 0 2 308.338 1.849 20 30 DDEDLN C=CCNC(=O)c1ccc(NS(=O)(=O)c2cnn(C)c2)cc1 ZINC000055664071 407206229 /nfs/dbraw/zinc/20/62/29/407206229.db2.gz VOYWNUMIQXQFNC-UHFFFAOYSA-N 0 2 320.374 1.137 20 30 DDEDLN C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)NC(=O)C1CCCC1 ZINC000170725540 407483313 /nfs/dbraw/zinc/48/33/13/407483313.db2.gz SHAWHLKUFFVCEN-VIFPVBQESA-N 0 2 314.349 1.177 20 30 DDEDLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCC#N)c(F)c1Cl ZINC000152465381 407640451 /nfs/dbraw/zinc/64/04/51/407640451.db2.gz JASFEUUGYIWUDV-UHFFFAOYSA-N 0 2 323.708 1.378 20 30 DDEDLN CN(C)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)nc1 ZINC000116602343 407764666 /nfs/dbraw/zinc/76/46/66/407764666.db2.gz ITVFFKYQKYWRJE-UHFFFAOYSA-N 0 2 302.359 1.820 20 30 DDEDLN C=CCN(Cc1ccccc1F)C(=O)CSc1n[nH]c(=O)[nH]1 ZINC000186995937 407809868 /nfs/dbraw/zinc/80/98/68/407809868.db2.gz BRLMTOHQENQROB-UHFFFAOYSA-N 0 2 322.365 1.544 20 30 DDEDLN N#CCCn1ccc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000117741090 407853100 /nfs/dbraw/zinc/85/31/00/407853100.db2.gz IAOGRBLBLIBXBZ-UHFFFAOYSA-N 0 2 301.331 1.469 20 30 DDEDLN N#Cc1ccc(OCCNC(=O)c2cccc3[nH]nnc32)cc1 ZINC000188162880 407920359 /nfs/dbraw/zinc/92/03/59/407920359.db2.gz MOTOSANFQKTJRS-UHFFFAOYSA-N 0 2 307.313 1.638 20 30 DDEDLN C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3ccc(C)cc32)CC1 ZINC000354511747 409907595 /nfs/dbraw/zinc/90/75/95/409907595.db2.gz RMNUCHQDTXDMLP-UHFFFAOYSA-N 0 2 324.428 1.967 20 30 DDEDLN CNc1ccc(C#N)cc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000350972275 410022476 /nfs/dbraw/zinc/02/24/76/410022476.db2.gz PZGIWAGMQQWHDG-UHFFFAOYSA-N 0 2 317.374 1.543 20 30 DDEDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)s1 ZINC000351507910 410087275 /nfs/dbraw/zinc/08/72/75/410087275.db2.gz BPCIHPCWRSAMPK-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@H](O)C2(C)C)cc1C#N ZINC000332415844 410141290 /nfs/dbraw/zinc/14/12/90/410141290.db2.gz BTTMWSHKANULEP-UWVGGRQHSA-N 0 2 307.375 1.270 20 30 DDEDLN O=C(C[C@@H]1S/C(=N\Cc2ccc(F)cc2)NC1=O)NC1CC1 ZINC000298306620 410173739 /nfs/dbraw/zinc/17/37/39/410173739.db2.gz MASRTOCOYIEUPQ-LBPRGKRZSA-N 0 2 321.377 1.582 20 30 DDEDLN COCCS(=O)(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000357696665 410193841 /nfs/dbraw/zinc/19/38/41/410193841.db2.gz MBWKSWFNPCWITI-UHFFFAOYSA-N 0 2 324.337 1.271 20 30 DDEDLN CN1CCc2ccc(C(=O)N=c3[nH][nH]c(C4CC4)c3C#N)cc21 ZINC000329321378 410234288 /nfs/dbraw/zinc/23/42/88/410234288.db2.gz ULMPDDIZISBUFT-UHFFFAOYSA-N 0 2 307.357 2.403 20 30 DDEDLN CC1(C#N)CCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000329480751 410319841 /nfs/dbraw/zinc/31/98/41/410319841.db2.gz DCUADYZSNHPWFX-UHFFFAOYSA-N 0 2 312.329 1.796 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cncnc2)n1 ZINC000355231142 410390064 /nfs/dbraw/zinc/39/00/64/410390064.db2.gz PNTYJUOCGDGZAF-VIFPVBQESA-N 0 2 302.315 1.600 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cncnc2)n1 ZINC000355231142 410390068 /nfs/dbraw/zinc/39/00/68/410390068.db2.gz PNTYJUOCGDGZAF-VIFPVBQESA-N 0 2 302.315 1.600 20 30 DDEDLN CCCCN(CC(N)=O)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000339920077 410553161 /nfs/dbraw/zinc/55/31/61/410553161.db2.gz AXYWFJOWZYETSW-UHFFFAOYSA-N 0 2 322.390 1.108 20 30 DDEDLN CC(=O)Nc1ccc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)nc1 ZINC000360327482 411127694 /nfs/dbraw/zinc/12/76/94/411127694.db2.gz WTKDLCFUPOUDSU-CYBMUJFWSA-N 0 2 309.329 1.937 20 30 DDEDLN C=CC[C@H](CO)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000365557116 418875586 /nfs/dbraw/zinc/87/55/86/418875586.db2.gz QDKPIYKYLXSXLW-SECBINFHSA-N 0 2 310.404 1.747 20 30 DDEDLN Cc1[nH]nc(NC(=O)c2cc(Br)ccc2O)c1C#N ZINC000436918180 420385140 /nfs/dbraw/zinc/38/51/40/420385140.db2.gz FEFPGPZFOORDCM-UHFFFAOYSA-N 0 2 321.134 2.310 20 30 DDEDLN CN(CC1CC1)S(=O)(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000447392796 420770401 /nfs/dbraw/zinc/77/04/01/420770401.db2.gz DAKMYLJAVKYYJG-UHFFFAOYSA-N 0 2 311.411 1.508 20 30 DDEDLN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000496641355 421289361 /nfs/dbraw/zinc/28/93/61/421289361.db2.gz FMXFRVFPRAPGFT-JGVFFNPUSA-N 0 2 316.321 1.005 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2c[nH]nc2C2CC2)cc1C#N ZINC000570529100 421651697 /nfs/dbraw/zinc/65/16/97/421651697.db2.gz IDRBJUKPQMEDCE-UHFFFAOYSA-N 0 2 303.347 1.663 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N2CCC(CC#N)CC2)c1 ZINC000570676590 421661795 /nfs/dbraw/zinc/66/17/95/421661795.db2.gz XVOJSXQMPGXREJ-JOCHJYFZSA-N 0 2 320.414 1.955 20 30 DDEDLN CCSc1nnc(NS(=O)(=O)c2ccc(C#N)o2)s1 ZINC000342462072 266349074 /nfs/dbraw/zinc/34/90/74/266349074.db2.gz BDRLUUZCTWMELU-UHFFFAOYSA-N 0 2 316.389 1.916 20 30 DDEDLN CCn1nccc1S(=O)(=O)Nc1ccc(COC)c(C#N)c1 ZINC000530145428 267264417 /nfs/dbraw/zinc/26/44/17/267264417.db2.gz TXDRZQFNSQTFJQ-UHFFFAOYSA-N 0 2 320.374 1.722 20 30 DDEDLN N#Cc1cscc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000575061945 304710609 /nfs/dbraw/zinc/71/06/09/304710609.db2.gz UBMSUMDSGYIPAZ-QMMMGPOBSA-N 0 2 303.347 1.463 20 30 DDEDLN N#C[C@@H]1COCCN1Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000285071752 303163005 /nfs/dbraw/zinc/16/30/05/303163005.db2.gz PBXXGQOXLQIKMR-SNVBAGLBSA-N 0 2 320.732 1.876 20 30 DDEDLN COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000565170459 308022857 /nfs/dbraw/zinc/02/28/57/308022857.db2.gz LARMQYOPDLAXQV-RHSMWYFYSA-N 0 2 305.422 1.490 20 30 DDEDLN N#Cc1c2c(cnc1N1CCCC[C@H]1c1n[nH]c(=O)[nH]1)CCC2 ZINC000577232315 308373418 /nfs/dbraw/zinc/37/34/18/308373418.db2.gz ZJIQIQIUSWQDLK-ZDUSSCGKSA-N 0 2 310.361 1.997 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)CCOCC1CC1 ZINC000584585159 337368927 /nfs/dbraw/zinc/36/89/27/337368927.db2.gz TYXBOOXFZZZJHI-UHFFFAOYSA-N 0 2 310.375 1.735 20 30 DDEDLN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000584611843 337372299 /nfs/dbraw/zinc/37/22/99/337372299.db2.gz GWZLAZBHYRSTGQ-VXGBXAGGSA-N 0 2 306.366 1.198 20 30 DDEDLN C=CCNC(=O)CNC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000346759430 526551471 /nfs/dbraw/zinc/55/14/71/526551471.db2.gz BVRBSXJZWYVQTE-UHFFFAOYSA-N 0 2 317.374 1.051 20 30 DDEDLN C=C[C@H](C)NS(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F ZINC000451304125 527570013 /nfs/dbraw/zinc/57/00/13/527570013.db2.gz HVUKNJPCNLCWOF-YUMQZZPRSA-N 0 2 303.302 1.364 20 30 DDEDLN CC(C)C[C@@H](CO)NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000330860988 528329843 /nfs/dbraw/zinc/32/98/43/528329843.db2.gz WKHSRWZSNVNOAY-VIFPVBQESA-N 0 2 300.428 1.990 20 30 DDEDLN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000331286948 528692135 /nfs/dbraw/zinc/69/21/35/528692135.db2.gz AFIMQZVNEWPYEO-NEPJUHHUSA-N 0 2 320.397 1.045 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2NC1CCC(C(=O)[O-])CC1 ZINC000739075233 600007445 /nfs/dbraw/zinc/00/74/45/600007445.db2.gz BKKXHBGIGGMFAD-UHFFFAOYSA-N 0 2 314.349 1.795 20 30 DDEDLN C=CC[N@@H+](CC(=O)NCCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000736107983 600031523 /nfs/dbraw/zinc/03/15/23/600031523.db2.gz DSMTVBINNBNOAE-UHFFFAOYSA-N 0 2 316.810 1.980 20 30 DDEDLN C=CC[N@H+](CC(=O)NCCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000736107983 600031526 /nfs/dbraw/zinc/03/15/26/600031526.db2.gz DSMTVBINNBNOAE-UHFFFAOYSA-N 0 2 316.810 1.980 20 30 DDEDLN C[N@H+]1CCCC[C@H]1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830940757 600681709 /nfs/dbraw/zinc/68/17/09/600681709.db2.gz JEDQOUKWZSZZLH-KBPBESRZSA-N 0 2 302.330 1.711 20 30 DDEDLN C[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830940757 600681707 /nfs/dbraw/zinc/68/17/07/600681707.db2.gz JEDQOUKWZSZZLH-KBPBESRZSA-N 0 2 302.330 1.711 20 30 DDEDLN C[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000123235925 696729977 /nfs/dbraw/zinc/72/99/77/696729977.db2.gz DDALNBQJVKHGKQ-BZPMIXESSA-N 0 2 303.362 1.907 20 30 DDEDLN CCn1c(=O)c2ccc(C(=O)N[C@@H](C)C#N)cc2[nH]c1=S ZINC000120590389 696698013 /nfs/dbraw/zinc/69/80/13/696698013.db2.gz NLVDYXVSFGZCQQ-QMMMGPOBSA-N 0 2 302.359 1.347 20 30 DDEDLN N#Cc1cccc(OCCCCC(=O)OCc2n[nH]c(=O)[nH]2)c1 ZINC000774949575 697945946 /nfs/dbraw/zinc/94/59/46/697945946.db2.gz RPVLHTUFPYQLTK-UHFFFAOYSA-N 0 2 316.317 1.674 20 30 DDEDLN C=c1[nH]c(=O)[nH]c(=O)c1=C(C)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000759203312 700741388 /nfs/dbraw/zinc/74/13/88/700741388.db2.gz NKIQPFUIVBKEEL-UHFFFAOYSA-N 0 2 304.266 1.336 20 30 DDEDLN CC(=NNc1ncccc1[N+](=O)[O-])c1c(C)[nH]c(=O)nc1O ZINC000759203312 700741390 /nfs/dbraw/zinc/74/13/90/700741390.db2.gz NKIQPFUIVBKEEL-UHFFFAOYSA-N 0 2 304.266 1.336 20 30 DDEDLN C[C@@H](N1CCN(C(=O)C(F)C(F)(F)F)CC1)C(F)(F)F ZINC000764615155 700978909 /nfs/dbraw/zinc/97/89/09/700978909.db2.gz XRUQOHZPPNZOCT-RQJHMYQMSA-N 0 2 310.213 1.982 20 30 DDEDLN C[C@@H](N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1)C(F)(F)F ZINC000764615155 700978910 /nfs/dbraw/zinc/97/89/10/700978910.db2.gz XRUQOHZPPNZOCT-RQJHMYQMSA-N 0 2 310.213 1.982 20 30 DDEDLN O=C1[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C[C@H]2CCCCN12 ZINC000840710455 702217195 /nfs/dbraw/zinc/21/71/95/702217195.db2.gz QMUSDWOLJDDUQE-YMEUJLLRSA-N 0 2 303.318 1.873 20 30 DDEDLN C=C[C@H](C)ONC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000846544131 703294448 /nfs/dbraw/zinc/29/44/48/703294448.db2.gz OYDBBUVEUPOFIV-VIFPVBQESA-N 0 2 319.386 1.941 20 30 DDEDLN Cc1cccc(CNC(=O)C(C#N)=C([O-])c2c[nH+]c3n2CCC3)c1 ZINC000850977303 703769679 /nfs/dbraw/zinc/76/96/79/703769679.db2.gz QKNBGHTUMOAHGF-CQSZACIVSA-N 0 2 322.368 1.777 20 30 DDEDLN Cc1ccc(COCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000857013124 704547067 /nfs/dbraw/zinc/54/70/67/704547067.db2.gz GEAGPEGBUATDPR-AWEZNQCLSA-N 0 2 311.341 1.837 20 30 DDEDLN Cc1cc(=O)[nH]c(N=NC[C@@H]2CCN(c3cnn(C)c3)C2)n1 ZINC000872323916 707382270 /nfs/dbraw/zinc/38/22/70/707382270.db2.gz DVMZHDKJGRIJEF-NSHDSACASA-N 0 2 301.354 1.148 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)NCCC#N)cc2[nH]c1=S ZINC000899893270 709229178 /nfs/dbraw/zinc/22/91/78/709229178.db2.gz XRVZSLGSGLEYHV-UHFFFAOYSA-N 0 2 314.370 1.515 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001023570298 735317216 /nfs/dbraw/zinc/31/72/16/735317216.db2.gz BAEAMNXKULSYIZ-LLVKDONJSA-N 0 2 312.801 1.320 20 30 DDEDLN C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001027371276 738241432 /nfs/dbraw/zinc/24/14/32/738241432.db2.gz YSYZHWGRKAQQIX-LLVKDONJSA-N 0 2 312.801 1.713 20 30 DDEDLN C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001027371276 738241434 /nfs/dbraw/zinc/24/14/34/738241434.db2.gz YSYZHWGRKAQQIX-LLVKDONJSA-N 0 2 312.801 1.713 20 30 DDEDLN C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2Cc2n[nH]c(=O)[n-]2)CC1 ZINC001028116178 739055278 /nfs/dbraw/zinc/05/52/78/739055278.db2.gz DCVZEYPXTSYAHH-CYBMUJFWSA-N 0 2 319.409 1.337 20 30 DDEDLN C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2n[nH]c(=O)[n-]2)CC1 ZINC001028116178 739055281 /nfs/dbraw/zinc/05/52/81/739055281.db2.gz DCVZEYPXTSYAHH-CYBMUJFWSA-N 0 2 319.409 1.337 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)Cc2cccc(F)c2F)cn1 ZINC001189417318 744892327 /nfs/dbraw/zinc/89/23/27/744892327.db2.gz NHBMRQDOFXLTQL-UHFFFAOYSA-N 0 2 310.285 1.568 20 30 DDEDLN N#CCS(=O)(=O)Nc1c(F)cccc1OC[C@@H]1CCCO1 ZINC001192985757 745941507 /nfs/dbraw/zinc/94/15/07/745941507.db2.gz MQPWUYHGBZAQGU-JTQLQIEISA-N 0 2 314.338 1.649 20 30 DDEDLN COC(=O)c1cc(NS(=O)(=O)CC#N)cc(C(F)(F)F)c1 ZINC001192980969 745954558 /nfs/dbraw/zinc/95/45/58/745954558.db2.gz VIKLKGATNOMELA-UHFFFAOYSA-N 0 2 322.264 1.757 20 30 DDEDLN COC(=O)c1cc(Cl)cc(NS(=O)(=O)[C@H](C)C#N)c1 ZINC001193149512 745997098 /nfs/dbraw/zinc/99/70/98/745997098.db2.gz PDYGQVQYEQNKML-SSDOTTSWSA-N 0 2 302.739 1.780 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2c(C#N)ccc(F)c2F)[nH]n1 ZINC001194288721 746343970 /nfs/dbraw/zinc/34/39/70/746343970.db2.gz LSXIZFDBWAOJOD-UHFFFAOYSA-N 0 2 306.228 1.598 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2c(C#N)ccc(F)c2F)n[nH]1 ZINC001194288721 746343973 /nfs/dbraw/zinc/34/39/73/746343973.db2.gz LSXIZFDBWAOJOD-UHFFFAOYSA-N 0 2 306.228 1.598 20 30 DDEDLN C=CC(C)(C)CC(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC001195990578 746761426 /nfs/dbraw/zinc/76/14/26/746761426.db2.gz VVOMZJFNIUTOMZ-UHFFFAOYSA-N 0 2 307.398 1.147 20 30 DDEDLN C#Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2C#N)ccn1 ZINC001196643498 746915704 /nfs/dbraw/zinc/91/57/04/746915704.db2.gz IOIXWOWJACZTLU-UHFFFAOYSA-N 0 2 317.757 1.811 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cnc(C#N)c(Cl)c2)n1C ZINC001198361659 747463134 /nfs/dbraw/zinc/46/31/34/747463134.db2.gz SYOYMIKYWNSZMX-UHFFFAOYSA-N 0 2 311.754 1.449 20 30 DDEDLN CCOC(=O)[C@@H](C)NC(=S)Nc1cc(C#N)c(F)cc1O ZINC001199843358 748017200 /nfs/dbraw/zinc/01/72/00/748017200.db2.gz WENDHGAKPZHCBZ-SSDOTTSWSA-N 0 2 311.338 1.641 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2ccc(C)c(C#N)c2)n(CCO)n1 ZINC001201293116 748463371 /nfs/dbraw/zinc/46/33/71/748463371.db2.gz QGTAPSUYAHPIRH-UHFFFAOYSA-N 0 2 320.374 1.165 20 30 DDEDLN C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001108346418 761949178 /nfs/dbraw/zinc/94/91/78/761949178.db2.gz KBQAUHXNVBMJPZ-KRWDZBQOSA-N 0 2 318.421 1.154 20 30 DDEDLN C=C1CC(C)(C(=O)NC2CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000999290669 752792739 /nfs/dbraw/zinc/79/27/39/752792739.db2.gz MLEIBJQSEFGJDV-SECBINFHSA-N 0 2 308.275 1.570 20 30 DDEDLN C=C1CC(C)(C(=O)NC2CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC000999290669 752792744 /nfs/dbraw/zinc/79/27/44/752792744.db2.gz MLEIBJQSEFGJDV-SECBINFHSA-N 0 2 308.275 1.570 20 30 DDEDLN C#CCCCC(=O)NC1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC001063307393 754079727 /nfs/dbraw/zinc/07/97/27/754079727.db2.gz PMFOBZHHZOZBIZ-NSHDSACASA-N 0 2 322.302 1.845 20 30 DDEDLN C#CCCCC(=O)NC1(CNC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001063307393 754079728 /nfs/dbraw/zinc/07/97/28/754079728.db2.gz PMFOBZHHZOZBIZ-NSHDSACASA-N 0 2 322.302 1.845 20 30 DDEDLN C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)C(F)C(F)(F)F ZINC001109274358 763537263 /nfs/dbraw/zinc/53/72/63/763537263.db2.gz DJOVOONSAQRGQM-LDYMZIIASA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)[C@@H](F)C(F)(F)F ZINC001109274358 763537266 /nfs/dbraw/zinc/53/72/66/763537266.db2.gz DJOVOONSAQRGQM-LDYMZIIASA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1cnc(C#N)cn1 ZINC001113933853 766423319 /nfs/dbraw/zinc/42/33/19/766423319.db2.gz FIIRPYHXVLPCAO-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1cnc(C#N)cn1 ZINC001113933853 766423323 /nfs/dbraw/zinc/42/33/23/766423323.db2.gz FIIRPYHXVLPCAO-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN Cc1cc(NCCNC(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001094183110 775547474 /nfs/dbraw/zinc/54/74/74/775547474.db2.gz YQTJZNUVAFNSBS-SNVBAGLBSA-N 0 2 304.247 1.112 20 30 DDEDLN Cc1cc(NCCNC(=O)[C@@H](F)C(F)(F)F)c(C#N)cn1 ZINC001094183110 775547481 /nfs/dbraw/zinc/54/74/81/775547481.db2.gz YQTJZNUVAFNSBS-SNVBAGLBSA-N 0 2 304.247 1.112 20 30 DDEDLN CN(CCNC(=O)C(F)C(F)(F)F)c1ccncc1C#N ZINC001100367007 776059600 /nfs/dbraw/zinc/05/96/00/776059600.db2.gz PGYBRNZSALHBRL-JTQLQIEISA-N 0 2 304.247 1.406 20 30 DDEDLN CN(CCNC(=O)[C@H](F)C(F)(F)F)c1ccncc1C#N ZINC001100367007 776059607 /nfs/dbraw/zinc/05/96/07/776059607.db2.gz PGYBRNZSALHBRL-JTQLQIEISA-N 0 2 304.247 1.406 20 30 DDEDLN CC(C)C[C@H](NC(=O)C(F)(F)C(F)(F)Cl)C(=O)NO ZINC001179782824 779481549 /nfs/dbraw/zinc/48/15/49/779481549.db2.gz YLEVVZMKRWKCNP-YFKPBYRVSA-N 0 2 308.659 1.490 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1cnc(C#N)cn1 ZINC001095758822 855322537 /nfs/dbraw/zinc/32/25/37/855322537.db2.gz ZEMKNOZDEKGFHM-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN CN(CCCNC(=O)[C@@H](F)C(F)(F)F)c1cnc(C#N)cn1 ZINC001095758822 855322540 /nfs/dbraw/zinc/32/25/40/855322540.db2.gz ZEMKNOZDEKGFHM-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN C=CCN(CC=C)c1nnc(-c2n[nH]c(Cl)n2)n1CCOC ZINC001122440543 858813615 /nfs/dbraw/zinc/81/36/15/858813615.db2.gz CSOVTWZVKCWEKG-UHFFFAOYSA-N 0 2 323.788 1.541 20 30 DDEDLN CCOC(=O)[C@H](C#N)Nc1nc(-c2ccncc2)ccc1C#N ZINC001159326914 865227458 /nfs/dbraw/zinc/22/74/58/865227458.db2.gz QYXUOSXCYFIBBP-AWEZNQCLSA-N 0 2 307.313 1.882 20 30 DDEDLN C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)C(=O)C(F)C(F)(F)F ZINC001334266409 867439084 /nfs/dbraw/zinc/43/90/84/867439084.db2.gz WKMLHXAHFHTCMB-ONGXEEELSA-N 0 2 324.318 1.899 20 30 DDEDLN C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001334266409 867439097 /nfs/dbraw/zinc/43/90/97/867439097.db2.gz WKMLHXAHFHTCMB-ONGXEEELSA-N 0 2 324.318 1.899 20 30 DDEDLN N#Cc1cc(F)cnc1N1CCC(NC(=O)C(F)(F)F)CC1 ZINC001166897357 870350002 /nfs/dbraw/zinc/35/00/02/870350002.db2.gz UHXSGYYRXBDCLX-UHFFFAOYSA-N 0 2 316.258 1.740 20 30 DDEDLN C#C[C@@H]1CCCN(c2nnc(-c3c[nH]n(CC)c3=O)n2CC)C1 ZINC001341335672 871613065 /nfs/dbraw/zinc/61/30/65/871613065.db2.gz BHVOEGKXJITAIZ-GFCCVEGCSA-N 0 2 314.393 1.737 20 30 DDEDLN Cc1ncsc1CCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC001345062335 873243769 /nfs/dbraw/zinc/24/37/69/873243769.db2.gz QTXWSXUONWHLGA-JTQLQIEISA-N 0 2 302.359 1.709 20 30 DDEDLN CC#CCCCC(=O)N(C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001358745175 880846394 /nfs/dbraw/zinc/84/63/94/880846394.db2.gz GZSAVGIMTKPQMR-LBPRGKRZSA-N 0 2 322.302 1.750 20 30 DDEDLN CC#CCCCC(=O)N(C)C1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001358745175 880846406 /nfs/dbraw/zinc/84/64/06/880846406.db2.gz GZSAVGIMTKPQMR-LBPRGKRZSA-N 0 2 322.302 1.750 20 30 DDEDLN C=CCONC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC001228429952 883494865 /nfs/dbraw/zinc/49/48/65/883494865.db2.gz XXXMCUURUBBMGI-UHFFFAOYSA-N 0 2 303.322 1.301 20 30 DDEDLN C#C[C@@H](CC)Oc1nc(I)cc(=O)[nH]1 ZINC001228946346 883741808 /nfs/dbraw/zinc/74/18/08/883741808.db2.gz JADDRAHLSUETTC-LURJTMIESA-N 0 2 304.087 1.577 20 30 DDEDLN C[C@]1(C2CC2)COCC[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001363861969 887418196 /nfs/dbraw/zinc/41/81/96/887418196.db2.gz YCICQHVUMGAJCM-MRXNPFEDSA-N 0 2 313.361 1.307 20 30 DDEDLN C[C@]1(C2CC2)COCC[N@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001363861969 887418200 /nfs/dbraw/zinc/41/82/00/887418200.db2.gz YCICQHVUMGAJCM-MRXNPFEDSA-N 0 2 313.361 1.307 20 30 DDEDLN CC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(C)c(F)c1 ZINC001364555871 888918212 /nfs/dbraw/zinc/91/82/12/888918212.db2.gz IXQZHIRMCJNQPD-ZDUSSCGKSA-N 0 2 316.336 1.956 20 30 DDEDLN CN(C)c1cccnc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC001258053261 898033463 /nfs/dbraw/zinc/03/34/63/898033463.db2.gz APUHAURBEWENGB-UHFFFAOYSA-N 0 2 302.359 1.820 20 30 DDEDLN C#C[C@H](C)N(C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC1CC1 ZINC001263672589 900666071 /nfs/dbraw/zinc/66/60/71/900666071.db2.gz UZZBWTADPGPNIG-NSHDSACASA-N 0 2 314.393 1.735 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000416958917 529589347 /nfs/dbraw/zinc/58/93/47/529589347.db2.gz PKHDSHABKAUKQU-VXGBXAGGSA-N 0 2 310.375 1.898 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1cccc2[nH]c(=O)oc21 ZINC000096695413 353915823 /nfs/dbraw/zinc/91/58/23/353915823.db2.gz LWTZFWDYALXRSE-UHFFFAOYSA-N 0 2 315.310 1.794 20 30 DDEDLN CO[C@H](CS(=O)(=O)Nc1cc(C)n(CCC#N)n1)C1CC1 ZINC000584839032 354780556 /nfs/dbraw/zinc/78/05/56/354780556.db2.gz CRFBQWHGARGPIA-GFCCVEGCSA-N 0 2 312.395 1.272 20 30 DDEDLN COc1cc(NS(=O)(=O)c2cccc(CC#N)c2)ncn1 ZINC000585722718 354832732 /nfs/dbraw/zinc/83/27/32/354832732.db2.gz IZFUUHZBRLCGQJ-UHFFFAOYSA-N 0 2 304.331 1.352 20 30 DDEDLN CS(=O)(=O)Nc1nnc(NC(=O)CCCCCC#N)s1 ZINC000588299824 354914484 /nfs/dbraw/zinc/91/44/84/354914484.db2.gz XKOSAGFOLKLBJF-UHFFFAOYSA-N 0 2 317.396 1.322 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)N[C@H](c2nn[nH]n2)c2ccccc2)c1 ZINC000589169845 354967776 /nfs/dbraw/zinc/96/77/76/354967776.db2.gz MCRPLOGFFRPSRX-AWEZNQCLSA-N 0 2 320.312 1.296 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)CCC(C)C)cc1C#N ZINC000600305764 358191157 /nfs/dbraw/zinc/19/11/57/358191157.db2.gz AXVPMYHZYIZERA-LLVKDONJSA-N 0 2 323.418 1.908 20 30 DDEDLN C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000188200420 200208437 /nfs/dbraw/zinc/20/84/37/200208437.db2.gz LPDRIYUVNREYNT-MRVPVSSYSA-N 0 2 302.338 1.032 20 30 DDEDLN COc1cccc(S(=O)(=O)Nc2ccn(CCC#N)n2)c1 ZINC000609793888 360351258 /nfs/dbraw/zinc/35/12/58/360351258.db2.gz ZIIDMZORVWKVFX-UHFFFAOYSA-N 0 2 306.347 1.606 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](C)C[C@H]2CCOC2)cc1C#N ZINC000610748660 360525163 /nfs/dbraw/zinc/52/51/63/360525163.db2.gz YPVAXCRLRWYUBR-NXEZZACHSA-N 0 2 321.402 1.926 20 30 DDEDLN C#CCC(C)(C)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275385639 212302630 /nfs/dbraw/zinc/30/26/30/212302630.db2.gz MRZXRLDTUQNFRN-SNVBAGLBSA-N 0 2 304.312 1.563 20 30 DDEDLN N#Cc1nc(NC(=O)c2cnn(Cc3ccccc3)c2)[nH]c1C#N ZINC000026270609 248185375 /nfs/dbraw/zinc/18/53/75/248185375.db2.gz OJRMHUDVLMVIPG-UHFFFAOYSA-N 0 2 317.312 1.650 20 30 DDEDLN CC(=O)N1CCc2cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)ccc21 ZINC000026269784 406903465 /nfs/dbraw/zinc/90/34/65/406903465.db2.gz YHTPFYKDQMQLHQ-UHFFFAOYSA-N 0 2 320.312 1.314 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)cn1 ZINC000171265121 407642066 /nfs/dbraw/zinc/64/20/66/407642066.db2.gz OQKGNJOQVRQHDW-UHFFFAOYSA-N 0 2 301.331 1.421 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000134978026 407957667 /nfs/dbraw/zinc/95/76/67/407957667.db2.gz WPUXAPJOPNVFCW-JTQLQIEISA-N 0 2 304.397 1.450 20 30 DDEDLN Cc1cccc2c1[nH]cc(C(=O)N1CCN(C)[C@@H](C#N)C1)c2=O ZINC000274932366 408568234 /nfs/dbraw/zinc/56/82/34/408568234.db2.gz LCBUMMFLMNTNLA-LBPRGKRZSA-N 0 2 310.357 1.529 20 30 DDEDLN CC(C)(C)c1nc(NS(=O)(=O)c2cncc(C#N)c2)no1 ZINC000290927249 408854274 /nfs/dbraw/zinc/85/42/74/408854274.db2.gz JFOMGJGBQQQWQO-UHFFFAOYSA-N 0 2 307.335 1.435 20 30 DDEDLN N#Cc1cnc2c(F)c(F)c(F)cc2c1NCc1n[nH]c(=O)[nH]1 ZINC000342514148 409689854 /nfs/dbraw/zinc/68/98/54/409689854.db2.gz SFFHGSZWTFMUPK-UHFFFAOYSA-N 0 2 320.234 1.381 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2ccn(C)n2)cc1C#N ZINC000346332379 409923997 /nfs/dbraw/zinc/92/39/97/409923997.db2.gz UEAUYPVYEYZWPC-UHFFFAOYSA-N 0 2 303.347 1.044 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@H](C)n2ccc3ccccc3c2=O)c1C#N ZINC000357250770 409951908 /nfs/dbraw/zinc/95/19/08/409951908.db2.gz ZDPOWGATKKRXIA-NSHDSACASA-N 0 2 321.340 2.104 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@H]2CCN(c3ccccc3)[C@@H]2C)c1C#N ZINC000357243986 409953246 /nfs/dbraw/zinc/95/32/46/409953246.db2.gz OCDMEWNOXFBZLE-OCCSQVGLSA-N 0 2 309.373 2.443 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1C#N ZINC000357234732 409949468 /nfs/dbraw/zinc/94/94/68/409949468.db2.gz AYJBQQOKLQMPDR-UHFFFAOYSA-N 0 2 309.304 2.271 20 30 DDEDLN COCCc1ccnc(NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000351219820 410046178 /nfs/dbraw/zinc/04/61/78/410046178.db2.gz HKNNQAALYHBKIY-UHFFFAOYSA-N 0 2 317.370 1.943 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)cc1O ZINC000332338762 410078041 /nfs/dbraw/zinc/07/80/41/410078041.db2.gz QPWQEBCYYXSHMN-LLVKDONJSA-N 0 2 314.301 1.372 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)cc1O ZINC000332338762 410078048 /nfs/dbraw/zinc/07/80/48/410078048.db2.gz QPWQEBCYYXSHMN-LLVKDONJSA-N 0 2 314.301 1.372 20 30 DDEDLN Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c2n[nH]cc21 ZINC000357530173 410084605 /nfs/dbraw/zinc/08/46/05/410084605.db2.gz DIZMNHODFGQJQD-UHFFFAOYSA-N 0 2 313.342 1.939 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CCSC2)cc1C#N ZINC000339735549 410426870 /nfs/dbraw/zinc/42/68/70/410426870.db2.gz GYLMRRPKFXRXHQ-SECBINFHSA-N 0 2 309.416 1.958 20 30 DDEDLN COCCn1ccc(NS(=O)(=O)c2ccccc2CC#N)n1 ZINC000355829126 410691359 /nfs/dbraw/zinc/69/13/59/410691359.db2.gz GRTZYFJEXKCHML-UHFFFAOYSA-N 0 2 320.374 1.396 20 30 DDEDLN COc1cnc(NS(=O)(=O)c2ccc(C#N)cc2OC)nc1 ZINC000337283840 410692953 /nfs/dbraw/zinc/69/29/53/410692953.db2.gz JDSRVVPAJOZJQB-UHFFFAOYSA-N 0 2 320.330 1.166 20 30 DDEDLN CSc1cccc(S(=O)(=O)Nc2ccc(C#N)cn2)c1 ZINC000337749475 410982997 /nfs/dbraw/zinc/98/29/97/410982997.db2.gz FHJOUHHBPIWHRA-UHFFFAOYSA-N 0 2 305.384 2.476 20 30 DDEDLN C=C(Br)C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367117016 418561371 /nfs/dbraw/zinc/56/13/71/418561371.db2.gz KCHBFSKPJKLEAA-AWEZNQCLSA-N 0 2 316.287 1.854 20 30 DDEDLN CN(Cc1ccc(C#N)cc1)S(=O)(=O)NCC(F)(F)F ZINC000195083487 222190376 /nfs/dbraw/zinc/19/03/76/222190376.db2.gz QQHHGUVDLZFMLG-UHFFFAOYSA-N 0 2 307.297 1.387 20 30 DDEDLN Cc1nc(NS(=O)(=O)c2cccc(Cl)c2C#N)nn1C ZINC000427637051 419705271 /nfs/dbraw/zinc/70/52/71/419705271.db2.gz FDYKWMIGCAWPSC-UHFFFAOYSA-N 0 2 311.754 1.449 20 30 DDEDLN CN(C)c1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)ncn1 ZINC000427771007 419730656 /nfs/dbraw/zinc/73/06/56/419730656.db2.gz MSJBNBFXHVIJFD-UHFFFAOYSA-N 0 2 321.337 1.354 20 30 DDEDLN CC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000437004429 420390946 /nfs/dbraw/zinc/39/09/46/420390946.db2.gz QPQCXHCCOSQNLV-UHFFFAOYSA-N 0 2 317.326 1.662 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@]2(C)CO)cc1C#N ZINC000544773875 421230869 /nfs/dbraw/zinc/23/08/69/421230869.db2.gz GIEGJTMAVBGEMI-CQSZACIVSA-N 0 2 307.375 1.368 20 30 DDEDLN N#Cc1ccc(N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000357661171 268110003 /nfs/dbraw/zinc/11/00/03/268110003.db2.gz MXTZZZKVWRKODP-UHFFFAOYSA-N 0 2 314.305 1.674 20 30 DDEDLN COc1cccc2c1OCC(C(=O)Nc1nc(C#N)c(C#N)[nH]1)=C2 ZINC000120853701 281126461 /nfs/dbraw/zinc/12/64/61/281126461.db2.gz MEHNARFXPAKZDB-UHFFFAOYSA-N 0 2 321.296 1.576 20 30 DDEDLN COC(=O)c1csc(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000570612737 308173708 /nfs/dbraw/zinc/17/37/08/308173708.db2.gz PHVHHQCPAXNAMP-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2csc(C3CCCCC3)n2)c1=O ZINC000578650966 308476393 /nfs/dbraw/zinc/47/63/93/308476393.db2.gz UUHIBJDUPWDJNA-UHFFFAOYSA-N 0 2 316.386 1.961 20 30 DDEDLN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cocn2)C1=O ZINC000104824102 332248343 /nfs/dbraw/zinc/24/83/43/332248343.db2.gz DTJDZXOHGXVHIJ-HNNXBMFYSA-N 0 2 322.365 1.990 20 30 DDEDLN C=CCCn1cc(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])nn1 ZINC000656190781 484008185 /nfs/dbraw/zinc/00/81/85/484008185.db2.gz RHNLEIBAQQHWIR-INIZCTEOSA-N 0 2 312.373 1.866 20 30 DDEDLN C=CCCn1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])nn1 ZINC000656190781 484008189 /nfs/dbraw/zinc/00/81/89/484008189.db2.gz RHNLEIBAQQHWIR-INIZCTEOSA-N 0 2 312.373 1.866 20 30 DDEDLN Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)[O-])CC2)c(C#N)c1C ZINC000740274178 596921124 /nfs/dbraw/zinc/92/11/24/596921124.db2.gz KEPALHGZEPDPBS-SNVBAGLBSA-N 0 2 319.361 1.892 20 30 DDEDLN C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C(=O)[O-] ZINC000830883092 601004317 /nfs/dbraw/zinc/00/43/17/601004317.db2.gz JDRDIGQNKPUPGB-UHFFFAOYSA-N 0 2 300.318 1.903 20 30 DDEDLN C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C(=O)[O-] ZINC000830883092 601004320 /nfs/dbraw/zinc/00/43/20/601004320.db2.gz JDRDIGQNKPUPGB-UHFFFAOYSA-N 0 2 300.318 1.903 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000825353827 604600595 /nfs/dbraw/zinc/60/05/95/604600595.db2.gz XXZZFXYWJOTANQ-SWLSCSKDSA-N 0 2 319.361 1.294 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000825353827 604600597 /nfs/dbraw/zinc/60/05/97/604600597.db2.gz XXZZFXYWJOTANQ-SWLSCSKDSA-N 0 2 319.361 1.294 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCCNC(=O)C(C)(C)C ZINC000123184707 696729602 /nfs/dbraw/zinc/72/96/02/696729602.db2.gz VCZCSZVGNJGNPZ-NSHDSACASA-N 0 2 318.377 1.254 20 30 DDEDLN CC#CCOC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000180830264 697452591 /nfs/dbraw/zinc/45/25/91/697452591.db2.gz MFQQNSGRYOBALP-UHFFFAOYSA-N 0 2 302.355 1.885 20 30 DDEDLN CCN(CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C)c1ccccc1 ZINC000772677485 697659734 /nfs/dbraw/zinc/65/97/34/697659734.db2.gz DDKMVBYGYSCTKO-CQSZACIVSA-N 0 2 310.357 1.838 20 30 DDEDLN N#C[C@H](C(=O)[C@H]1CCCN(C(N)=O)C1)c1cnc2ccccc2n1 ZINC000792114678 699676357 /nfs/dbraw/zinc/67/63/57/699676357.db2.gz LCOGPPKMEVSKFC-RYUDHWBXSA-N 0 2 323.356 1.597 20 30 DDEDLN Cn1nccc1COCC(=O)[C@H](C#N)c1nc2ccccc2o1 ZINC000793121842 699734030 /nfs/dbraw/zinc/73/40/30/699734030.db2.gz MPNZSIBJVSGDGW-LBPRGKRZSA-N 0 2 310.313 1.954 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2ccc(C#N)cc2F)cn1 ZINC000739668583 699777367 /nfs/dbraw/zinc/77/73/67/699777367.db2.gz QLTOOBGDAFRFBZ-UHFFFAOYSA-N 0 2 305.294 1.218 20 30 DDEDLN COC(=O)c1ccc(NN=Cc2cc([N+](=O)[O-])ccc2O)nc1 ZINC000758140038 700685802 /nfs/dbraw/zinc/68/58/02/700685802.db2.gz AGFSXVXRJIIKRU-UHFFFAOYSA-N 0 2 316.273 1.928 20 30 DDEDLN N#CC(C(=O)CNC(=O)CCC1CCCC1)c1ccncn1 ZINC000760335479 700803014 /nfs/dbraw/zinc/80/30/14/700803014.db2.gz VDFRCFQDRFUVJV-ZDUSSCGKSA-N 0 2 300.362 1.739 20 30 DDEDLN N#C[C@H](C(=O)CNC(=O)CCC1CCCC1)c1ccncn1 ZINC000760335479 700803017 /nfs/dbraw/zinc/80/30/17/700803017.db2.gz VDFRCFQDRFUVJV-ZDUSSCGKSA-N 0 2 300.362 1.739 20 30 DDEDLN Cc1cc(C(C#N)C(=O)CO[C@@H](C)c2nccn2C)nc(C)n1 ZINC000805852447 701413249 /nfs/dbraw/zinc/41/32/49/701413249.db2.gz CFFKUAWAPIUYML-WCQYABFASA-N 0 2 313.361 1.781 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1cccc(OCC#N)c1 ZINC000810636193 701806371 /nfs/dbraw/zinc/80/63/71/701806371.db2.gz NBMNBPXBVTXTMO-CQSZACIVSA-N 0 2 322.324 1.457 20 30 DDEDLN CCn1c(=O)c2ccc(C(=O)N3CC(C#N)C3)cc2[nH]c1=S ZINC000817547444 702404722 /nfs/dbraw/zinc/40/47/22/702404722.db2.gz ZAUBOFLQISUVBA-UHFFFAOYSA-N 0 2 314.370 1.301 20 30 DDEDLN Cc1cc(NC(=O)NCc2n[nH]c(=O)[nH]2)c(C#N)cc1N(C)C ZINC000841713220 702547277 /nfs/dbraw/zinc/54/72/77/702547277.db2.gz NLTQVKZJJAIGIW-UHFFFAOYSA-N 0 2 315.337 1.078 20 30 DDEDLN N#Cc1ccc(F)c(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000854365019 704386364 /nfs/dbraw/zinc/38/63/64/704386364.db2.gz LNVBVZWYWBKCOD-SNVBAGLBSA-N 0 2 315.308 1.541 20 30 DDEDLN Cn1ccnc1C(=O)C(C#N)=C([O-])c1c[nH+]c2n1CCCCC2 ZINC000857012993 704547074 /nfs/dbraw/zinc/54/70/74/704547074.db2.gz ATOPAWAOYNWCEM-LLVKDONJSA-N 0 2 311.345 1.548 20 30 DDEDLN N#CCCCCNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000859199445 704818670 /nfs/dbraw/zinc/81/86/70/704818670.db2.gz QOIJMKUUTVAIPU-UHFFFAOYSA-N 0 2 317.267 1.882 20 30 DDEDLN C[C@@H](C#N)CNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000859314864 704860955 /nfs/dbraw/zinc/86/09/55/704860955.db2.gz ATPWCSHVKUMVHB-ZETCQYMHSA-N 0 2 303.240 1.348 20 30 DDEDLN C#CC1(F)CN(C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)C1 ZINC000881942502 707435909 /nfs/dbraw/zinc/43/59/09/707435909.db2.gz VENAGMOKCICGEZ-UHFFFAOYSA-N 0 2 317.295 1.823 20 30 DDEDLN C[C@@H](C#N)Cn1[nH]c2c(c1=O)CCN(C(=O)OC(C)(C)C)C2 ZINC000887285235 709007386 /nfs/dbraw/zinc/00/73/86/709007386.db2.gz YAVSODXBIRCDGD-WDEREUQCSA-N 0 2 306.366 1.601 20 30 DDEDLN C=C1CC(C)(C(=O)N2CCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)C1 ZINC000911167258 710666264 /nfs/dbraw/zinc/66/62/64/710666264.db2.gz DMMVTCSQLNZZFM-UHFFFAOYSA-N 0 2 315.373 1.785 20 30 DDEDLN C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000968925501 719874871 /nfs/dbraw/zinc/87/48/71/719874871.db2.gz FPWDPPLHBXCLGM-CVEARBPZSA-N 0 2 316.449 1.992 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)CNc1nccnc1C#N ZINC001104236736 732734862 /nfs/dbraw/zinc/73/48/62/732734862.db2.gz IFBJNCOKAKQDRT-VXNVDRBHSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)CNc1nccnc1C#N ZINC001104236736 732734865 /nfs/dbraw/zinc/73/48/65/732734865.db2.gz IFBJNCOKAKQDRT-VXNVDRBHSA-N 0 2 319.262 1.413 20 30 DDEDLN C=CC[C@H]1CCN(C(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)C1 ZINC001167720648 737001994 /nfs/dbraw/zinc/00/19/94/737001994.db2.gz OMDBSNPQFSOFOX-NSHDSACASA-N 0 2 314.345 1.304 20 30 DDEDLN C#Cc1nccnc1NS(=O)(=O)Cc1cc(F)ccc1F ZINC001189648826 744946846 /nfs/dbraw/zinc/94/68/46/744946846.db2.gz AXQQKXVVQHVXGW-UHFFFAOYSA-N 0 2 309.297 1.678 20 30 DDEDLN COCCOc1cccc(F)c1NS(=O)(=O)[C@H](C)C#N ZINC001193157385 746001748 /nfs/dbraw/zinc/00/17/48/746001748.db2.gz DBRMOGXYTIIURQ-SECBINFHSA-N 0 2 302.327 1.505 20 30 DDEDLN CCOC(=O)c1c(C)[nH]nc1NC(=O)c1cccc(C#N)c1O ZINC001193634939 746156510 /nfs/dbraw/zinc/15/65/10/746156510.db2.gz NMJVCQNOZOUROD-UHFFFAOYSA-N 0 2 314.301 1.724 20 30 DDEDLN C[N@@H+](CC#Cc1ccccc1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448591 746387745 /nfs/dbraw/zinc/38/77/45/746387745.db2.gz HVDAYTSYKYNSTC-GOSISDBHSA-N 0 2 322.412 1.468 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2ccc(C#N)c(C#N)c2)n1C ZINC001198398442 747495150 /nfs/dbraw/zinc/49/51/50/747495150.db2.gz HQZFLQDXFNOFTD-UHFFFAOYSA-N 0 2 301.331 1.273 20 30 DDEDLN CC(=O)c1nn(C)cc1NS(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201294611 748467923 /nfs/dbraw/zinc/46/79/23/748467923.db2.gz BIMGPIDAVITECF-UHFFFAOYSA-N 0 2 318.358 1.604 20 30 DDEDLN CC#CC[NH+]1CCC([C@H](C)NC(=O)c2n[nH]c(C)c2[O-])CC1 ZINC000997548668 751095651 /nfs/dbraw/zinc/09/56/51/751095651.db2.gz AOHYHZGIPOZXCL-NSHDSACASA-N 0 2 304.394 1.277 20 30 DDEDLN C[C@H](CNc1ccc(C#N)nn1)NC(=O)C(F)C(F)(F)F ZINC001108171025 753355616 /nfs/dbraw/zinc/35/56/16/753355616.db2.gz WPVSXLLKRJZLQX-HZGVNTEJSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001108171025 753355623 /nfs/dbraw/zinc/35/56/23/753355623.db2.gz WPVSXLLKRJZLQX-HZGVNTEJSA-N 0 2 305.235 1.165 20 30 DDEDLN C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001050025112 763033847 /nfs/dbraw/zinc/03/38/47/763033847.db2.gz OQYQSNQLEFXVAP-NWDGAFQWSA-N 0 2 324.812 1.713 20 30 DDEDLN C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)c3n[nH]c(C)c3[O-])[C@@H]2C1 ZINC001050025112 763033852 /nfs/dbraw/zinc/03/38/52/763033852.db2.gz OQYQSNQLEFXVAP-NWDGAFQWSA-N 0 2 324.812 1.713 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001098327620 764302903 /nfs/dbraw/zinc/30/29/03/764302903.db2.gz MFHCBTRNTLOJMS-OIBJUYFYSA-N 0 2 304.247 1.192 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001098327620 764302914 /nfs/dbraw/zinc/30/29/14/764302914.db2.gz MFHCBTRNTLOJMS-OIBJUYFYSA-N 0 2 304.247 1.192 20 30 DDEDLN Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)cn2)C1 ZINC001091360191 772704611 /nfs/dbraw/zinc/70/46/11/772704611.db2.gz ZBNCKMXDXWCJKX-OKILXGFUSA-N 0 2 324.388 1.534 20 30 DDEDLN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cccnc2CO)c1 ZINC001190939155 851148492 /nfs/dbraw/zinc/14/84/92/851148492.db2.gz QSYFKFZTBRDUJE-UHFFFAOYSA-N 0 2 323.761 1.900 20 30 DDEDLN O=C(C(F)C(F)(F)F)N(CCC(F)(F)F)C[C@H](O)CO ZINC001411927963 853986726 /nfs/dbraw/zinc/98/67/26/853986726.db2.gz PAILVXHTGSBDTB-NTSWFWBYSA-N 0 2 315.185 1.021 20 30 DDEDLN O=C([C@@H](F)C(F)(F)F)N(CCC(F)(F)F)C[C@H](O)CO ZINC001411927963 853986728 /nfs/dbraw/zinc/98/67/28/853986728.db2.gz PAILVXHTGSBDTB-NTSWFWBYSA-N 0 2 315.185 1.021 20 30 DDEDLN CCC(CC)CN(CCC#N)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001412878336 855743536 /nfs/dbraw/zinc/74/35/36/855743536.db2.gz FIFURXGHTGNHAD-UHFFFAOYSA-N 0 2 303.366 1.102 20 30 DDEDLN C#Cc1cc(=NC(=O)c2c(O)cnc3ccc(OC)cc32)cc[nH]1 ZINC001154506476 861154507 /nfs/dbraw/zinc/15/45/07/861154507.db2.gz CJJBVPNURITOTE-UHFFFAOYSA-N 0 2 319.320 2.000 20 30 DDEDLN C=CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)OCC ZINC001324136726 867098645 /nfs/dbraw/zinc/09/86/45/867098645.db2.gz RPCPTOZIIVYUPI-LLVKDONJSA-N 0 2 308.290 1.538 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001344467374 873011612 /nfs/dbraw/zinc/01/16/12/873011612.db2.gz YFVMQJCHSQNPBS-SCRDCRAPSA-N 0 2 301.346 1.659 20 30 DDEDLN CC(C)(C)C#CC(=O)NC/C=C\CNC(=O)C(F)C(F)(F)F ZINC001357807029 880209467 /nfs/dbraw/zinc/20/94/67/880209467.db2.gz AMUNUNWRPCFJMO-WYGGZMRJSA-N 0 2 322.302 1.725 20 30 DDEDLN CC(C)(C)C#CC(=O)NC/C=C\CNC(=O)[C@H](F)C(F)(F)F ZINC001357807029 880209478 /nfs/dbraw/zinc/20/94/78/880209478.db2.gz AMUNUNWRPCFJMO-WYGGZMRJSA-N 0 2 322.302 1.725 20 30 DDEDLN O=C([O-])COc1ccccc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001231791129 885872668 /nfs/dbraw/zinc/87/26/68/885872668.db2.gz VABNZRDTGCRXRZ-CQSZACIVSA-N 0 2 319.382 1.924 20 30 DDEDLN O=C([O-])COc1ccccc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001231791129 885872682 /nfs/dbraw/zinc/87/26/82/885872682.db2.gz VABNZRDTGCRXRZ-CQSZACIVSA-N 0 2 319.382 1.924 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cc(CO)cc(CO)c1 ZINC001363498673 886493789 /nfs/dbraw/zinc/49/37/89/886493789.db2.gz XAFFYGFBGWKUTB-UHFFFAOYSA-N 0 2 313.313 1.204 20 30 DDEDLN Cc1cccc(Cn2c(=O)[nH]cc(C#N)c2=O)c1Br ZINC001363758292 887155374 /nfs/dbraw/zinc/15/53/74/887155374.db2.gz FSVSYIPWANPKHX-UHFFFAOYSA-N 0 2 320.146 1.528 20 30 DDEDLN N#Cc1c[nH]c(=O)n(CCOc2ccc(F)c(Cl)c2)c1=O ZINC001364282496 888291139 /nfs/dbraw/zinc/29/11/39/888291139.db2.gz WIOJJZGDISXVDS-UHFFFAOYSA-N 0 2 309.684 1.280 20 30 DDEDLN C[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@@H](C2CC2)O1 ZINC001364696565 889218574 /nfs/dbraw/zinc/21/85/74/889218574.db2.gz ZQPDYLWCIGKYEF-HZMBPMFUSA-N 0 2 313.361 1.306 20 30 DDEDLN C[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@@H](C2CC2)O1 ZINC001364696565 889218583 /nfs/dbraw/zinc/21/85/83/889218583.db2.gz ZQPDYLWCIGKYEF-HZMBPMFUSA-N 0 2 313.361 1.306 20 30 DDEDLN CCCS(=O)(=O)Nc1cc(Br)cnc1C#N ZINC001253618914 895931950 /nfs/dbraw/zinc/93/19/50/895931950.db2.gz PXJUAJKLRCKSPK-UHFFFAOYSA-N 0 2 304.169 1.867 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccccc1Cl ZINC001256353297 897402214 /nfs/dbraw/zinc/40/22/14/897402214.db2.gz RQMRUSILTAFUTH-VIFPVBQESA-N 0 2 302.739 1.074 20 30 DDEDLN C[C@@H](O)c1ccnc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001258053951 898038520 /nfs/dbraw/zinc/03/85/20/898038520.db2.gz SOTKTVVFZRCTKK-SNVBAGLBSA-N 0 2 303.343 1.807 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2cc(F)c(F)cc2F)cn1 ZINC001259035260 898435130 /nfs/dbraw/zinc/43/51/30/898435130.db2.gz VQBKFQASRDETRG-UHFFFAOYSA-N 0 2 314.248 1.566 20 30 DDEDLN CCn1cc(S(=O)(=O)Nc2ccc(C#N)c(C#N)c2)cn1 ZINC001259837691 898850337 /nfs/dbraw/zinc/85/03/37/898850337.db2.gz DCSLGMCWPJWOOG-UHFFFAOYSA-N 0 2 301.331 1.447 20 30 DDEDLN C#CCCCC(=O)NC1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001279987098 903476816 /nfs/dbraw/zinc/47/68/16/903476816.db2.gz QYHFNECCAAGPSY-CBINBANVSA-N 0 2 322.302 1.701 20 30 DDEDLN C#CCCCC(=O)NC1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001279987098 903476821 /nfs/dbraw/zinc/47/68/21/903476821.db2.gz QYHFNECCAAGPSY-CBINBANVSA-N 0 2 322.302 1.701 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001282733157 905990024 /nfs/dbraw/zinc/99/00/24/905990024.db2.gz BTAQSJUISGDQMV-JTQLQIEISA-N 0 2 307.398 1.049 20 30 DDEDLN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)C(F)C(F)(F)F ZINC001372832117 908326319 /nfs/dbraw/zinc/32/63/19/908326319.db2.gz AAAGYIQYIYQTOW-RCOVLWMOSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H](F)C(F)(F)F ZINC001372832117 908326330 /nfs/dbraw/zinc/32/63/30/908326330.db2.gz AAAGYIQYIYQTOW-RCOVLWMOSA-N 0 2 320.246 1.021 20 30 DDEDLN CC(C)C#CC(=O)N(CCNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001296587194 916495672 /nfs/dbraw/zinc/49/56/72/916495672.db2.gz NLGSEZVDRWNLFG-LBPRGKRZSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)N(CCNC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001296587194 916495677 /nfs/dbraw/zinc/49/56/77/916495677.db2.gz NLGSEZVDRWNLFG-LBPRGKRZSA-N 0 2 322.302 1.653 20 30 DDEDLN CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000452000143 231265429 /nfs/dbraw/zinc/26/54/29/231265429.db2.gz UZTZDELMFORYHN-AWEZNQCLSA-N 0 2 304.369 1.933 20 30 DDEDLN N#Cc1ccc(O[C@H]2CCN(c3ccc(C(=O)[O-])c[nH+]3)C2)nc1 ZINC000592421460 355578605 /nfs/dbraw/zinc/57/86/05/355578605.db2.gz QILNYLRGPQWNRM-ZDUSSCGKSA-N 0 2 310.313 1.704 20 30 DDEDLN Cc1nccc(CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)n1 ZINC000330825219 223147410 /nfs/dbraw/zinc/14/74/10/223147410.db2.gz RSXGIFYKQMEZLX-UHFFFAOYSA-N 0 2 306.395 1.882 20 30 DDEDLN COCc1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000340825051 223283109 /nfs/dbraw/zinc/28/31/09/223283109.db2.gz OZCJYXXGQLURNM-UHFFFAOYSA-N 0 2 320.374 1.744 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2cncc(C#N)c2)c(OC)c1 ZINC000336868812 249275327 /nfs/dbraw/zinc/27/53/27/249275327.db2.gz ZRYUYCZOCVMJIH-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN CCCN(CC#N)C(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000180689003 407912175 /nfs/dbraw/zinc/91/21/75/407912175.db2.gz MAARYGYPXIFUOU-UHFFFAOYSA-N 0 2 314.345 1.962 20 30 DDEDLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCC#CCO)=N2)cc1 ZINC000282852366 409067278 /nfs/dbraw/zinc/06/72/78/409067278.db2.gz GJZALWDPKQNXNM-UHFFFAOYSA-N 0 2 313.357 1.427 20 30 DDEDLN Cc1c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)nnn1CC1CCCC1 ZINC000279480327 409222810 /nfs/dbraw/zinc/22/28/10/409222810.db2.gz GVMXWHBRHNHAED-UHFFFAOYSA-N 0 2 324.348 1.495 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c(O)c1 ZINC000319959757 164039455 /nfs/dbraw/zinc/03/94/55/164039455.db2.gz QGEWCAXMFILVRI-UHFFFAOYSA-N 0 2 319.342 1.777 20 30 DDEDLN C[C@@H]1CCCC[C@@H]1CC(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408489429 164347713 /nfs/dbraw/zinc/34/77/13/164347713.db2.gz SKGXVKIDWOKDAX-DGCLKSJQSA-N 0 2 321.402 1.975 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@](C)(C(N)=O)C(C)C)cc1C#N ZINC000341980999 409531498 /nfs/dbraw/zinc/53/14/98/409531498.db2.gz IAOJKSCUBVCIBF-AWEZNQCLSA-N 0 2 322.390 1.011 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCOC(F)(F)F)cc1C#N ZINC000356787219 409606984 /nfs/dbraw/zinc/60/69/84/409606984.db2.gz CAUCJRQCUUNIBR-UHFFFAOYSA-N 0 2 321.280 1.647 20 30 DDEDLN COCC1CCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000349752159 409908004 /nfs/dbraw/zinc/90/80/04/409908004.db2.gz YTNBOWQUOVEARY-UHFFFAOYSA-N 0 2 321.402 1.879 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2OC)cn1 ZINC000349944352 409916657 /nfs/dbraw/zinc/91/66/57/409916657.db2.gz LRIVUOCOCWBUHZ-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN COCc1cnc(NS(=O)(=O)c2ccc(C#N)cc2)s1 ZINC000351112791 410038163 /nfs/dbraw/zinc/03/81/63/410038163.db2.gz WILSIXIUXSZZFC-UHFFFAOYSA-N 0 2 309.372 1.962 20 30 DDEDLN Cc1nc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)ccc1C#N ZINC000339600112 410319559 /nfs/dbraw/zinc/31/95/59/410319559.db2.gz IBFDHARMPMGUKM-UHFFFAOYSA-N 0 2 322.353 1.849 20 30 DDEDLN COCC1(CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)CCC1 ZINC000337659560 410926746 /nfs/dbraw/zinc/92/67/46/410926746.db2.gz PICZNYVUUDDZGA-UHFFFAOYSA-N 0 2 321.402 1.927 20 30 DDEDLN CCc1noc2ncc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc12 ZINC000194696742 418547318 /nfs/dbraw/zinc/54/73/18/418547318.db2.gz WTGIRQYYJGNDDY-UHFFFAOYSA-N 0 2 307.273 1.504 20 30 DDEDLN Cc1nc(NS(=O)(=O)c2ccc(C#N)cc2Cl)nn1C ZINC000427660271 419712203 /nfs/dbraw/zinc/71/22/03/419712203.db2.gz QOLQBUVJVFGQRE-UHFFFAOYSA-N 0 2 311.754 1.449 20 30 DDEDLN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000437502260 420408481 /nfs/dbraw/zinc/40/84/81/420408481.db2.gz UZLOHBLGGDPMQL-YGRLFVJLSA-N 0 2 316.361 1.385 20 30 DDEDLN N#Cc1ccc(C(=O)N[C@H](c2nnc[nH]2)c2ccccc2)cc1O ZINC000442827579 420722164 /nfs/dbraw/zinc/72/21/64/420722164.db2.gz ZLGDIKQGOWBIDW-HNNXBMFYSA-N 0 2 319.324 1.901 20 30 DDEDLN Cc1ccc2ncc(C#N)c(NCCCc3n[nH]c(=O)[nH]3)c2c1 ZINC000488087340 421068863 /nfs/dbraw/zinc/06/88/63/421068863.db2.gz WJVPCONSBRGHMJ-UHFFFAOYSA-N 0 2 308.345 1.705 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000528967480 421525283 /nfs/dbraw/zinc/52/52/83/421525283.db2.gz AGLIPQZYKZMWRT-GHMZBOCLSA-N 0 2 303.362 1.905 20 30 DDEDLN N#CCc1ccc(OC[C@@H](O)CSc2n[nH]c(=O)[nH]2)cc1 ZINC000565240780 421597196 /nfs/dbraw/zinc/59/71/96/421597196.db2.gz DWGMYRQORHTNQQ-SNVBAGLBSA-N 0 2 306.347 1.108 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(=O)[O-] ZINC000630182562 421942444 /nfs/dbraw/zinc/94/24/44/421942444.db2.gz OFMKTINVNLFJTK-KBPBESRZSA-N 0 2 310.394 1.165 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(=O)[O-] ZINC000630182562 421942447 /nfs/dbraw/zinc/94/24/47/421942447.db2.gz OFMKTINVNLFJTK-KBPBESRZSA-N 0 2 310.394 1.165 20 30 DDEDLN N#Cc1nc(NC(=O)CCc2nc3ccccc3o2)[nH]c1C#N ZINC000355041128 268323998 /nfs/dbraw/zinc/32/39/98/268323998.db2.gz IOJIKBXOOBESTN-UHFFFAOYSA-N 0 2 306.285 1.866 20 30 DDEDLN CC(C)C[C@H]1C[C@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC(=O)N1 ZINC000350006195 279227475 /nfs/dbraw/zinc/22/74/75/279227475.db2.gz IJNWAKFSLXQPHL-UWVGGRQHSA-N 0 2 314.349 1.032 20 30 DDEDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(N(C)C)cc1 ZINC001120836549 782175203 /nfs/dbraw/zinc/17/52/03/782175203.db2.gz NYUQQPTYODFIHB-JTQLQIEISA-N 0 2 313.361 1.184 20 30 DDEDLN Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC(=O)[O-])cc1 ZINC000821083383 598041503 /nfs/dbraw/zinc/04/15/03/598041503.db2.gz CXRUNCYXGNBGBY-ZDUSSCGKSA-N 0 2 303.362 1.647 20 30 DDEDLN Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC(=O)[O-])cc1 ZINC000821083383 598041506 /nfs/dbraw/zinc/04/15/06/598041506.db2.gz CXRUNCYXGNBGBY-ZDUSSCGKSA-N 0 2 303.362 1.647 20 30 DDEDLN C[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830940760 600681970 /nfs/dbraw/zinc/68/19/70/600681970.db2.gz JEDQOUKWZSZZLH-ZIAGYGMSSA-N 0 2 302.330 1.711 20 30 DDEDLN C[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830940760 600681972 /nfs/dbraw/zinc/68/19/72/600681972.db2.gz JEDQOUKWZSZZLH-ZIAGYGMSSA-N 0 2 302.330 1.711 20 30 DDEDLN CCC[N@H+](CC(=O)[O-])Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000829475936 600818945 /nfs/dbraw/zinc/81/89/45/600818945.db2.gz ZRVBOWFMABQKTE-UHFFFAOYSA-N 0 2 300.318 1.905 20 30 DDEDLN CCC[N@@H+](CC(=O)[O-])Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000829475936 600818947 /nfs/dbraw/zinc/81/89/47/600818947.db2.gz ZRVBOWFMABQKTE-UHFFFAOYSA-N 0 2 300.318 1.905 20 30 DDEDLN C[C@H](CC(=O)[O-])C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000827263333 602072761 /nfs/dbraw/zinc/07/27/61/602072761.db2.gz PLYKXWWQKJTTRP-CYBMUJFWSA-N 0 2 315.373 1.313 20 30 DDEDLN C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738641096 604381204 /nfs/dbraw/zinc/38/12/04/604381204.db2.gz XJKUXUKDKKZNCD-ZYHUDNBSSA-N 0 2 302.334 1.227 20 30 DDEDLN C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738641096 604381207 /nfs/dbraw/zinc/38/12/07/604381207.db2.gz XJKUXUKDKKZNCD-ZYHUDNBSSA-N 0 2 302.334 1.227 20 30 DDEDLN CCc1ccccc1OCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000123163890 696729152 /nfs/dbraw/zinc/72/91/52/696729152.db2.gz KNKSDJLHHBEHMR-CYBMUJFWSA-N 0 2 311.341 1.953 20 30 DDEDLN CCOc1ccc(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000122989862 696727246 /nfs/dbraw/zinc/72/72/46/696727246.db2.gz XRXSTMRIFSVMJH-AWEZNQCLSA-N 0 2 311.341 1.953 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCCC1CCOCC1 ZINC000798844393 700101025 /nfs/dbraw/zinc/10/10/25/700101025.db2.gz XENUEFBTFFXMMO-CYBMUJFWSA-N 0 2 303.362 1.909 20 30 DDEDLN COC(=O)N1CCC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1 ZINC000726430177 699362722 /nfs/dbraw/zinc/36/27/22/699362722.db2.gz WSDRKLPUAYAEGQ-SHLUWWQESA-N 0 2 307.306 1.950 20 30 DDEDLN N#CC(C(=O)CN1CCc2ccccc2C1=O)c1ccncn1 ZINC000789472617 699388743 /nfs/dbraw/zinc/38/87/43/699388743.db2.gz MLCPHGUPJYNCFW-AWEZNQCLSA-N 0 2 306.325 1.351 20 30 DDEDLN N#C[C@H](C(=O)CN1CCc2ccccc2C1=O)c1ccncn1 ZINC000789472617 699388748 /nfs/dbraw/zinc/38/87/48/699388748.db2.gz MLCPHGUPJYNCFW-AWEZNQCLSA-N 0 2 306.325 1.351 20 30 DDEDLN CC(C)N1CC[C@H]([NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O ZINC000736473409 699726279 /nfs/dbraw/zinc/72/62/79/699726279.db2.gz DXQOMTQLRJRLRF-KBPBESRZSA-N 0 2 301.346 1.283 20 30 DDEDLN C=CCCC(=O)N1CCCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000737528007 699741858 /nfs/dbraw/zinc/74/18/58/699741858.db2.gz YRPZPFCRATWROS-UHFFFAOYSA-N 0 2 303.362 1.785 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2C[C@]23CCOC3)n1 ZINC000764759065 700985488 /nfs/dbraw/zinc/98/54/88/700985488.db2.gz KDFSGVJDPHXPDA-FTGAXOIBSA-N 0 2 320.370 1.923 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@]23CCOC3)n1 ZINC000764759065 700985490 /nfs/dbraw/zinc/98/54/90/700985490.db2.gz KDFSGVJDPHXPDA-FTGAXOIBSA-N 0 2 320.370 1.923 20 30 DDEDLN C=CCCCCCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000805217415 701373300 /nfs/dbraw/zinc/37/33/00/701373300.db2.gz BRYLHQPRVCEKFB-UHFFFAOYSA-N 0 2 303.366 1.324 20 30 DDEDLN C#CCCCS(=O)(=O)Nc1ncc(CC(=O)OCC)s1 ZINC000840948743 702290460 /nfs/dbraw/zinc/29/04/60/702290460.db2.gz IHEQCRXDJJPSIA-UHFFFAOYSA-N 0 2 316.404 1.404 20 30 DDEDLN C=CC[N@@H+](CCS(=O)(=O)c1cccc(OC)c1)CC(=O)[O-] ZINC000846263145 703257715 /nfs/dbraw/zinc/25/77/15/703257715.db2.gz BIJFVXWCHBEPGP-UHFFFAOYSA-N 0 2 313.375 1.042 20 30 DDEDLN C=CC[N@H+](CCS(=O)(=O)c1cccc(OC)c1)CC(=O)[O-] ZINC000846263145 703257717 /nfs/dbraw/zinc/25/77/17/703257717.db2.gz BIJFVXWCHBEPGP-UHFFFAOYSA-N 0 2 313.375 1.042 20 30 DDEDLN CC(C)CN1C[C@@H](C(=O)NOc2cccc(C#N)c2)CC1=O ZINC000870693408 704105289 /nfs/dbraw/zinc/10/52/89/704105289.db2.gz GWSLUWRIBIKXNM-ZDUSSCGKSA-N 0 2 301.346 1.473 20 30 DDEDLN Cc1csc(C(C#N)C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)n1 ZINC000860449910 705191630 /nfs/dbraw/zinc/19/16/30/705191630.db2.gz ISLNJTFSBMSJNK-TVSZNTQPSA-N 0 2 318.354 1.348 20 30 DDEDLN C=C(C)C[C@@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000882895665 707842865 /nfs/dbraw/zinc/84/28/65/707842865.db2.gz RLNMVNSWUQJSCO-LBPRGKRZSA-N 0 2 319.336 1.774 20 30 DDEDLN C=CCOCC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC000913559467 713260034 /nfs/dbraw/zinc/26/00/34/713260034.db2.gz KBNAFZAQFQMEBM-LBPRGKRZSA-N 0 2 302.334 1.113 20 30 DDEDLN C=C(C)C[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C(=O)[O-] ZINC000908846475 712867963 /nfs/dbraw/zinc/86/79/63/712867963.db2.gz OWEVPQJAMSNNGO-ZDUSSCGKSA-N 0 2 320.393 1.481 20 30 DDEDLN C#C[C@H]1CC[C@H](NC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)CC1 ZINC000923989393 714502018 /nfs/dbraw/zinc/50/20/18/714502018.db2.gz IQOPPAYIBAKOOM-AULYBMBSSA-N 0 2 317.393 1.591 20 30 DDEDLN CNC(=O)CC1SC(=Nc2ccccc2)N(CCOC)C1=O ZINC000935538173 715080814 /nfs/dbraw/zinc/08/08/14/715080814.db2.gz MMJFIEFHDIWLNG-LBPRGKRZSA-N 0 2 321.402 1.401 20 30 DDEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCOC)C1=O ZINC000935538173 715080817 /nfs/dbraw/zinc/08/08/17/715080817.db2.gz MMJFIEFHDIWLNG-LBPRGKRZSA-N 0 2 321.402 1.401 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)CNc1ccc(C#N)nn1 ZINC001104237243 732736302 /nfs/dbraw/zinc/73/63/02/732736302.db2.gz ULOYGWPFRSMJDX-GMSGAONNSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)CNc1ccc(C#N)nn1 ZINC001104237243 732736306 /nfs/dbraw/zinc/73/63/06/732736306.db2.gz ULOYGWPFRSMJDX-GMSGAONNSA-N 0 2 319.262 1.413 20 30 DDEDLN C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039250501 733372123 /nfs/dbraw/zinc/37/21/23/733372123.db2.gz OIHCHLOUONAEOX-NVXWUHKLSA-N 0 2 314.433 1.597 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3nnc[nH]3)C(C)(C)[C@H]21 ZINC001087308555 736033119 /nfs/dbraw/zinc/03/31/19/736033119.db2.gz SEXYOOMHPMNSMM-UTUOFQBUSA-N 0 2 323.828 1.776 20 30 DDEDLN C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2n[nH]c(=O)[nH]2)CC1 ZINC001032605930 751569130 /nfs/dbraw/zinc/56/91/30/751569130.db2.gz KCELPBVPYWLHOK-STQMWFEESA-N 0 2 317.393 1.042 20 30 DDEDLN C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075966299 742288205 /nfs/dbraw/zinc/28/82/05/742288205.db2.gz XDUXXNBOIRPPML-HRCADAONSA-N 0 2 314.433 1.554 20 30 DDEDLN CCOC(=O)c1cc(F)c(C)c(NS(=O)(=O)CC#N)c1 ZINC001192982202 745940855 /nfs/dbraw/zinc/94/08/55/745940855.db2.gz JFZQIHDUPFHVAM-UHFFFAOYSA-N 0 2 300.311 1.576 20 30 DDEDLN CCOC(=O)C(C)(C)S(=O)(=O)Nc1cc(C#N)ccc1F ZINC001193057215 745975095 /nfs/dbraw/zinc/97/50/95/745975095.db2.gz BNWKSFDEDMPVGR-UHFFFAOYSA-N 0 2 314.338 1.781 20 30 DDEDLN C[C@@H](C#N)S(=O)(=O)Nc1cnc(-c2ccc(O)cc2)nc1 ZINC001193107613 745980845 /nfs/dbraw/zinc/98/08/45/745980845.db2.gz YPPZLTZRRISAPU-VIFPVBQESA-N 0 2 304.331 1.503 20 30 DDEDLN C[C@H](C#N)S(=O)(=O)Nc1cc(F)c(S(C)(=O)=O)cc1F ZINC001193160484 746002655 /nfs/dbraw/zinc/00/26/55/746002655.db2.gz DGUUSAUIALCKPE-ZCFIWIBFSA-N 0 2 324.330 1.022 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3n[nH]c(=O)[n-]3)[C@H]2C)C1 ZINC000993786248 746325327 /nfs/dbraw/zinc/32/53/27/746325327.db2.gz FIHKXWUTEHDMNH-RYUDHWBXSA-N 0 2 319.409 1.336 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3n[nH]c(=O)[n-]3)[C@H]2C)C1 ZINC000993786248 746325331 /nfs/dbraw/zinc/32/53/31/746325331.db2.gz FIHKXWUTEHDMNH-RYUDHWBXSA-N 0 2 319.409 1.336 20 30 DDEDLN N#Cc1cccnc1N[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001097258367 757025187 /nfs/dbraw/zinc/02/51/87/757025187.db2.gz ISAYSRZAFPKSNW-KXUCPTDWSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1cccnc1N[C@H]1C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001097258367 757025202 /nfs/dbraw/zinc/02/52/02/757025202.db2.gz ISAYSRZAFPKSNW-KXUCPTDWSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1cnc(N[C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)cn1 ZINC001097106763 771626598 /nfs/dbraw/zinc/62/65/98/771626598.db2.gz YKTDCOOJLXMUMA-BRDIYROLSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2)cn1 ZINC001097106763 771626600 /nfs/dbraw/zinc/62/66/00/771626600.db2.gz YKTDCOOJLXMUMA-BRDIYROLSA-N 0 2 317.246 1.308 20 30 DDEDLN C=CCN(C(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1)C(C)C ZINC001144558014 772564871 /nfs/dbraw/zinc/56/48/71/772564871.db2.gz FQYTWAUHNBPQAC-UHFFFAOYSA-N 0 2 302.334 1.303 20 30 DDEDLN Cc1[nH]c(NC(=O)c2c(CO)cnc(C)c2O)c(C#N)c1C ZINC001147834637 773262188 /nfs/dbraw/zinc/26/21/88/773262188.db2.gz UXUAFKUBNNIZHW-UHFFFAOYSA-N 0 2 300.318 1.657 20 30 DDEDLN C#C[C@@H](Oc1nc(I)cc(=O)[nH]1)C(C)C ZINC001228950948 844411785 /nfs/dbraw/zinc/41/17/85/844411785.db2.gz QRLZXOMGJGQSGK-SSDOTTSWSA-N 0 2 318.114 1.823 20 30 DDEDLN CC(C)C[C@H](NC(=O)c1cnc2[nH]ccc(Cl)c1-2)C(=O)NO ZINC001153110526 863716369 /nfs/dbraw/zinc/71/63/69/863716369.db2.gz BRTZFLFFEZGQGS-JTQLQIEISA-N 0 2 324.768 1.866 20 30 DDEDLN Cc1ncc([N+](=O)[O-])n1C[C@H](C)Oc1[nH]c(=O)cc(C)c1C#N ZINC001226221690 882288057 /nfs/dbraw/zinc/28/80/57/882288057.db2.gz PLMDHHPQYQOEIG-VIFPVBQESA-N 0 2 317.305 1.848 20 30 DDEDLN C#CC1CCN(c2nnc(-c3c[nH]n(CC)c3=O)n2C)CC1 ZINC001339270741 870432384 /nfs/dbraw/zinc/43/23/84/870432384.db2.gz CIEFZLPIDKYOBX-UHFFFAOYSA-N 0 2 300.366 1.254 20 30 DDEDLN C#C[C@@H](Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-])c1ccncc1 ZINC001227629629 883113529 /nfs/dbraw/zinc/11/35/29/883113529.db2.gz WVAPIJNWGIPTDR-SECBINFHSA-N 0 2 318.314 1.961 20 30 DDEDLN N#CC1(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CCSCC1 ZINC001362435080 883800577 /nfs/dbraw/zinc/80/05/77/883800577.db2.gz HJOMXILLXFSKFI-JTQLQIEISA-N 0 2 321.406 1.253 20 30 DDEDLN C=C[C@@H]1O[C@H](Oc2nc(C(=O)OC)c[nH]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001230281734 884407236 /nfs/dbraw/zinc/40/72/36/884407236.db2.gz FWAJXJBUNJHXKC-QFOLPQNPSA-N 0 2 310.306 1.006 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ncc(CCO)s1 ZINC001362961477 885093776 /nfs/dbraw/zinc/09/37/76/885093776.db2.gz BDQYSSXVXLCHPG-UHFFFAOYSA-N 0 2 304.331 1.211 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(Cl)cn1 ZINC001365226058 890389310 /nfs/dbraw/zinc/38/93/10/890389310.db2.gz AOFPBQIDGXXJJD-SSDOTTSWSA-N 0 2 305.725 1.167 20 30 DDEDLN COc1ccc(CO)cc1NS(=O)(=O)c1ccccc1C#N ZINC001258278991 898125623 /nfs/dbraw/zinc/12/56/23/898125623.db2.gz RMYDDUSSGCJKMG-UHFFFAOYSA-N 0 2 318.354 1.860 20 30 DDEDLN Cn1ncc(NS(=O)(=O)c2ccc(F)cc2Cl)c1C#N ZINC001258911960 898355421 /nfs/dbraw/zinc/35/54/21/898355421.db2.gz ZRMCYHGXMQJFMD-UHFFFAOYSA-N 0 2 314.729 1.885 20 30 DDEDLN CC(=O)Nc1cc(NS(=O)(=O)c2cccc(C#N)c2)ncn1 ZINC001259118626 898476669 /nfs/dbraw/zinc/47/66/69/898476669.db2.gz TYFMSVANLJYVEF-UHFFFAOYSA-N 0 2 317.330 1.107 20 30 DDEDLN COCCS(=O)(=O)Nc1cc(C#N)ccc1C(F)(F)F ZINC001259971998 898995470 /nfs/dbraw/zinc/99/54/70/898995470.db2.gz IAAPATXGZDPMQO-UHFFFAOYSA-N 0 2 308.281 1.965 20 30 DDEDLN COc1cc(NS(=O)(=O)c2c(C)n[nH]c2C)ccc1C#N ZINC001261029801 899331031 /nfs/dbraw/zinc/33/10/31/899331031.db2.gz QVFIWOJDKGWVDM-UHFFFAOYSA-N 0 2 306.347 1.708 20 30 DDEDLN CC#CCCCC(=O)N[C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001284256884 908738039 /nfs/dbraw/zinc/73/80/39/908738039.db2.gz QOKUDQHAQJCHEK-ONGXEEELSA-N 0 2 310.291 1.701 20 30 DDEDLN CC#CCCCC(=O)N[C@@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001284256884 908738044 /nfs/dbraw/zinc/73/80/44/908738044.db2.gz QOKUDQHAQJCHEK-ONGXEEELSA-N 0 2 310.291 1.701 20 30 DDEDLN C=C(C)CCC(=O)NC[C@@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001285867814 911337253 /nfs/dbraw/zinc/33/72/53/911337253.db2.gz ZKDSPPSCWDAGDI-GXSJLCMTSA-N 0 2 310.291 1.960 20 30 DDEDLN C=C(C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@@H](F)C(F)(F)F ZINC001285867814 911337271 /nfs/dbraw/zinc/33/72/71/911337271.db2.gz ZKDSPPSCWDAGDI-GXSJLCMTSA-N 0 2 310.291 1.960 20 30 DDEDLN C#C[C@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(C)(C)C ZINC000288045718 222662191 /nfs/dbraw/zinc/66/21/91/222662191.db2.gz CYDYFUNBGUMKQD-JTQLQIEISA-N 0 2 300.318 1.214 20 30 DDEDLN Cc1cc(C(C#N)C(=O)c2nnc3ccccc3n2)nc(C)n1 ZINC000355091921 539455036 /nfs/dbraw/zinc/45/50/36/539455036.db2.gz BCUVFMIFGDANFN-NSHDSACASA-N 0 2 304.313 1.922 20 30 DDEDLN O=C(NC1=NC(=O)CN1)c1cccc(NC(=O)c2cccnc2)c1 ZINC000050223366 352565252 /nfs/dbraw/zinc/56/52/52/352565252.db2.gz GCYSDOFCSIOGRR-UHFFFAOYSA-N 0 2 323.312 1.124 20 30 DDEDLN CCOc1cccc(NS(=O)(=O)c2cncc(C#N)c2)n1 ZINC000589585955 355002813 /nfs/dbraw/zinc/00/28/13/355002813.db2.gz XZRFKIWCQCMCSR-UHFFFAOYSA-N 0 2 304.331 1.548 20 30 DDEDLN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000594419854 356204752 /nfs/dbraw/zinc/20/47/52/356204752.db2.gz AYCBCUIAWQVYDC-NSHDSACASA-N 0 2 313.361 1.310 20 30 DDEDLN N#CCN1CCC(Nc2nc(C3CCOCC3)ns2)CC1 ZINC000596124540 356781611 /nfs/dbraw/zinc/78/16/11/356781611.db2.gz YAKVISDVSBQKNF-UHFFFAOYSA-N 0 2 307.423 1.254 20 30 DDEDLN CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000597351049 357143738 /nfs/dbraw/zinc/14/37/38/357143738.db2.gz NXWJFKLHAJEOBC-LLVKDONJSA-N 0 2 300.318 1.698 20 30 DDEDLN COCC1(N(C)C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000597941505 357391806 /nfs/dbraw/zinc/39/18/06/357391806.db2.gz TXKLDTHRZULRMU-UHFFFAOYSA-N 0 2 307.375 1.632 20 30 DDEDLN N#Cc1nc(NC(=O)C[C@H](n2cccn2)C(F)(F)F)[nH]c1C#N ZINC000598662096 357676152 /nfs/dbraw/zinc/67/61/52/357676152.db2.gz OFRWZTIHYNZTDD-VIFPVBQESA-N 0 2 323.238 1.482 20 30 DDEDLN COCCn1cc(NS(=O)(=O)c2cccc(CC#N)c2)cn1 ZINC000619461895 364023989 /nfs/dbraw/zinc/02/39/89/364023989.db2.gz AUEDLTHRZIBHHL-UHFFFAOYSA-N 0 2 320.374 1.396 20 30 DDEDLN COc1cc(NS(=O)(=O)c2cncc(C#N)c2)cc(OC)c1 ZINC000336867979 249275084 /nfs/dbraw/zinc/27/50/84/249275084.db2.gz UVTJTBSWDMYRHM-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN CC(=O)Nc1ncc(S(=O)(=O)Nc2cccc(C#N)c2)s1 ZINC000339202716 250340647 /nfs/dbraw/zinc/34/06/47/250340647.db2.gz KKCWLZNQLMJZNZ-UHFFFAOYSA-N 0 2 322.371 1.774 20 30 DDEDLN CC(=O)c1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000117741084 194842974 /nfs/dbraw/zinc/84/29/74/194842974.db2.gz NRXMEORYWRGVHC-UHFFFAOYSA-N 0 2 318.358 1.800 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)C2(C#N)CCC2)cc1C#N ZINC000332413783 533077656 /nfs/dbraw/zinc/07/76/56/533077656.db2.gz AQFPXWBVKFTNDM-UHFFFAOYSA-N 0 2 302.359 1.899 20 30 DDEDLN C#CCCCCNC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000155315388 197043283 /nfs/dbraw/zinc/04/32/83/197043283.db2.gz RECHAEMBFOAKDP-UHFFFAOYSA-N 0 2 318.402 1.930 20 30 DDEDLN COc1cncnc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000570769016 304421922 /nfs/dbraw/zinc/42/19/22/304421922.db2.gz OOFXJGVVCFZODA-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN CCOc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1OC ZINC000026274782 406903171 /nfs/dbraw/zinc/90/31/71/406903171.db2.gz BRYYVPBYBFHJJO-UHFFFAOYSA-N 0 2 311.301 1.813 20 30 DDEDLN CCc1cc(NS(=O)(=O)c2ccc(C#N)cc2C)n(C)n1 ZINC000077966381 407016110 /nfs/dbraw/zinc/01/61/10/407016110.db2.gz QEJVLXDNNYXBFB-UHFFFAOYSA-N 0 2 304.375 1.963 20 30 DDEDLN COC(=O)c1cccc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000089485608 407136715 /nfs/dbraw/zinc/13/67/15/407136715.db2.gz VFKQCWFXNBSQJW-UHFFFAOYSA-N 0 2 309.285 1.121 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)[nH]c1C#N ZINC000123916391 407342163 /nfs/dbraw/zinc/34/21/63/407342163.db2.gz RCECDPYTMBCREQ-UHFFFAOYSA-N 0 2 320.312 1.298 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cnn(CC3CC3)c2)cc1 ZINC000174770908 407989653 /nfs/dbraw/zinc/98/96/53/407989653.db2.gz LFKALRQOOGSEPE-UHFFFAOYSA-N 0 2 302.359 1.966 20 30 DDEDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(C#N)c[nH]2)c1 ZINC000175127192 408059705 /nfs/dbraw/zinc/05/97/05/408059705.db2.gz UPENSNZKQISMBH-UHFFFAOYSA-N 0 2 319.342 1.638 20 30 DDEDLN COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)C1 ZINC000175191850 408074556 /nfs/dbraw/zinc/07/45/56/408074556.db2.gz XWIPSDXCDIZXDF-RKDXNWHRSA-N 0 2 301.306 1.071 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)cn1 ZINC000172316281 162269403 /nfs/dbraw/zinc/26/94/03/162269403.db2.gz NALJFRVAJBRICE-UHFFFAOYSA-N 0 2 322.371 1.283 20 30 DDEDLN N#Cc1nc(NC(=O)CCc2cccc3c2OCO3)[nH]c1C#N ZINC000184462829 408622492 /nfs/dbraw/zinc/62/24/92/408622492.db2.gz GMJQNCQPJOLUCC-UHFFFAOYSA-N 0 2 309.285 1.453 20 30 DDEDLN C=CCn1c(=O)[nH]nc1SCc1nc(=O)c2sccc2[nH]1 ZINC000163385716 408776626 /nfs/dbraw/zinc/77/66/26/408776626.db2.gz QAIGHSDCGAXDMQ-UHFFFAOYSA-N 0 2 321.387 1.348 20 30 DDEDLN C#CCONC(=O)C1(c2cccc(Br)c2)CC(=O)C1 ZINC000291263961 408862770 /nfs/dbraw/zinc/86/27/70/408862770.db2.gz NGHISEJIHYPASA-UHFFFAOYSA-N 0 2 322.158 1.731 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N3CC(C)(C#N)C3)=N2)cc1 ZINC000281458488 408886311 /nfs/dbraw/zinc/88/63/11/408886311.db2.gz BXTDDLSYWCJHJN-UHFFFAOYSA-N 0 2 312.329 1.572 20 30 DDEDLN CCOC1CC(CCNS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000289459648 409276639 /nfs/dbraw/zinc/27/66/39/409276639.db2.gz LWQXVVWRZYQIHA-UHFFFAOYSA-N 0 2 309.391 1.437 20 30 DDEDLN C[C@@H]1CCN(S(=O)(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000408138685 164239931 /nfs/dbraw/zinc/23/99/31/164239931.db2.gz MUQBZMYDEDJVCE-SNVBAGLBSA-N 0 2 311.411 1.508 20 30 DDEDLN N#Cc1c(NCCc2nc(N)no2)nc2cc(Cl)ccn21 ZINC000342298201 409567881 /nfs/dbraw/zinc/56/78/81/409567881.db2.gz VWVGVSBQZLMSHY-UHFFFAOYSA-N 0 2 303.713 1.479 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@@H]2CCCOC2)cc1C#N ZINC000356978466 409762802 /nfs/dbraw/zinc/76/28/02/409762802.db2.gz KHMGCWLIAQVUHE-VHSXEESVSA-N 0 2 321.402 1.926 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N(C)C[C@H](C)C#N)=N2)cc1 ZINC000354425977 409844167 /nfs/dbraw/zinc/84/41/67/409844167.db2.gz RVSUWESMUQLXDW-LLVKDONJSA-N 0 2 314.345 1.818 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N(CC#N)CC#N)=N2)cc1 ZINC000354437869 409854745 /nfs/dbraw/zinc/85/47/45/409854745.db2.gz ONIRUKQOCJPMQZ-UHFFFAOYSA-N 0 2 311.301 1.076 20 30 DDEDLN C=C[C@H](CO)NC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000350560166 409962861 /nfs/dbraw/zinc/96/28/61/409962861.db2.gz UGFZZPRPTFFVHC-MRVPVSSYSA-N 0 2 310.404 1.665 20 30 DDEDLN COC(=O)CN(C(=O)c1cc(C#N)c(SC)[nH]c1=O)C1CC1 ZINC000352197190 410541307 /nfs/dbraw/zinc/54/13/07/410541307.db2.gz NGFORLPICWQBMP-UHFFFAOYSA-N 0 2 321.358 1.158 20 30 DDEDLN CNc1ccc(C#N)cc1NC(=O)CSc1n[nH]c(=O)[nH]1 ZINC000355632442 410616077 /nfs/dbraw/zinc/61/60/77/410616077.db2.gz XIFWPWLTFXNHDX-UHFFFAOYSA-N 0 2 304.335 1.154 20 30 DDEDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000347892750 410779526 /nfs/dbraw/zinc/77/95/26/410779526.db2.gz AESGJWCCUSGCFT-UHFFFAOYSA-N 0 2 316.342 1.712 20 30 DDEDLN C=CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000376732002 418701118 /nfs/dbraw/zinc/70/11/18/418701118.db2.gz CROJEQGNUDJWMM-KRWDZBQOSA-N 0 2 321.465 1.254 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)c1cnn(C)c1C ZINC000387001883 418741511 /nfs/dbraw/zinc/74/15/11/418741511.db2.gz WZIVNARMLXZYFV-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C2CC2)n[nH]1 ZINC000362130502 418749492 /nfs/dbraw/zinc/74/94/92/418749492.db2.gz QWESNQAFSDUHKE-UHFFFAOYSA-N 0 2 318.358 1.968 20 30 DDEDLN CCNc1ccc(C#N)cc1NS(=O)(=O)c1ccnn1C ZINC000345680018 266173450 /nfs/dbraw/zinc/17/34/50/266173450.db2.gz FIGBFUNPEFXVBN-UHFFFAOYSA-N 0 2 305.363 1.524 20 30 DDEDLN N#C[C@H]1COCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000084405597 303170423 /nfs/dbraw/zinc/17/04/23/303170423.db2.gz ASIMGNLGCKTJPB-LBPRGKRZSA-N 0 2 316.292 1.082 20 30 DDEDLN N#CCN1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000092936209 332132383 /nfs/dbraw/zinc/13/23/83/332132383.db2.gz ITMXYMQPECNGHN-UHFFFAOYSA-N 0 2 310.741 1.595 20 30 DDEDLN Cc1oc(NS(=O)(=O)c2cncc(C#N)c2)nc1C1CC1 ZINC000582527910 337105076 /nfs/dbraw/zinc/10/50/76/337105076.db2.gz WYYMVPJPBHUPAG-UHFFFAOYSA-N 0 2 304.331 1.928 20 30 DDEDLN CCO[C@@H]1C[C@]([NH2+]Cc2nc(C#N)cs2)(C(=O)[O-])C1(C)C ZINC000417574814 527984615 /nfs/dbraw/zinc/98/46/15/527984615.db2.gz FARMQUZDGCQXCC-YGRLFVJLSA-N 0 2 309.391 1.763 20 30 DDEDLN COc1cc(F)ccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000336848502 536822558 /nfs/dbraw/zinc/82/25/58/536822558.db2.gz KNNVDRVUCBXTOO-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C(=O)[O-])c1C ZINC000818944238 597471124 /nfs/dbraw/zinc/47/11/24/597471124.db2.gz JSZVKPSLQHRXBL-CQSZACIVSA-N 0 2 317.389 1.955 20 30 DDEDLN Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C(=O)[O-])c1C ZINC000818944238 597471125 /nfs/dbraw/zinc/47/11/25/597471125.db2.gz JSZVKPSLQHRXBL-CQSZACIVSA-N 0 2 317.389 1.955 20 30 DDEDLN C[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000820238471 597655995 /nfs/dbraw/zinc/65/59/95/597655995.db2.gz QJYZPBFOCRORMZ-JMSVASOKSA-N 0 2 304.350 1.297 20 30 DDEDLN N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](NC(=O)[O-])C3)o2)cc1 ZINC000831118081 605930597 /nfs/dbraw/zinc/93/05/97/605930597.db2.gz LSBLOOGESHJYDE-LBPRGKRZSA-N 0 2 313.317 1.450 20 30 DDEDLN N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@H](NC(=O)[O-])C3)o2)cc1 ZINC000831118081 605930598 /nfs/dbraw/zinc/93/05/98/605930598.db2.gz LSBLOOGESHJYDE-LBPRGKRZSA-N 0 2 313.317 1.450 20 30 DDEDLN C=C[C@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000819730036 606813800 /nfs/dbraw/zinc/81/38/00/606813800.db2.gz QHTXMQFAZLXSQD-QMMMGPOBSA-N 0 2 316.365 1.207 20 30 DDEDLN C=CCCC(=O)Cn1nc(CC)c(CC)c(-c2nn[nH]n2)c1=O ZINC000823888372 608096668 /nfs/dbraw/zinc/09/66/68/608096668.db2.gz KNIHAYMWIGIQJP-UHFFFAOYSA-N 0 2 316.365 1.084 20 30 DDEDLN C=CCOC(=O)c1sc2[nH]c(-c3nc[nH]n3)nc(=O)c2c1C ZINC000120881733 696703106 /nfs/dbraw/zinc/70/31/06/696703106.db2.gz HIHBTNIUZXTYED-UHFFFAOYSA-N 0 2 317.330 1.421 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)CN3CCSC3=O)nc21 ZINC000750727026 700243441 /nfs/dbraw/zinc/24/34/41/700243441.db2.gz ZURWCLVUMDYHAF-SECBINFHSA-N 0 2 315.358 1.611 20 30 DDEDLN N#CCc1cccc(S(=O)(=O)Nc2cnn(CC#N)c2)c1 ZINC000794585312 699817988 /nfs/dbraw/zinc/81/79/88/699817988.db2.gz SENLGLOYKNUOOA-UHFFFAOYSA-N 0 2 301.331 1.274 20 30 DDEDLN COC[C@@H](C#N)OC(=O)c1nn(-c2ccc(F)cc2F)cc1O ZINC000801413783 700305235 /nfs/dbraw/zinc/30/52/35/700305235.db2.gz ITPPPIIIQBCBNG-SECBINFHSA-N 0 2 323.255 1.551 20 30 DDEDLN Cc1nonc1CNS(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000757900548 700675380 /nfs/dbraw/zinc/67/53/80/700675380.db2.gz SWQQKFXJLAHCSO-UHFFFAOYSA-N 0 2 314.273 1.006 20 30 DDEDLN N#CC(C(=O)CNC(=O)CCC1CCCC1)c1ccncn1 ZINC000760335478 700802974 /nfs/dbraw/zinc/80/29/74/700802974.db2.gz VDFRCFQDRFUVJV-CYBMUJFWSA-N 0 2 300.362 1.739 20 30 DDEDLN N#C[C@@H](C(=O)CNC(=O)CCC1CCCC1)c1ccncn1 ZINC000760335478 700802979 /nfs/dbraw/zinc/80/29/79/700802979.db2.gz VDFRCFQDRFUVJV-CYBMUJFWSA-N 0 2 300.362 1.739 20 30 DDEDLN C[C@H](C#N)COC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000770931730 701300591 /nfs/dbraw/zinc/30/05/91/701300591.db2.gz JABHEVOMDHPMOF-MRVPVSSYSA-N 0 2 303.343 1.539 20 30 DDEDLN O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000811224286 701938755 /nfs/dbraw/zinc/93/87/55/701938755.db2.gz FTKLHJSNXWCITI-RITPCOANSA-N 0 2 324.196 1.414 20 30 DDEDLN O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000811224286 701938759 /nfs/dbraw/zinc/93/87/59/701938759.db2.gz FTKLHJSNXWCITI-RITPCOANSA-N 0 2 324.196 1.414 20 30 DDEDLN C#CCCCS(=O)(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000840947238 702289744 /nfs/dbraw/zinc/28/97/44/702289744.db2.gz RSGNBYPTAFHTIM-UHFFFAOYSA-N 0 2 304.375 1.482 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCc2ccccc2O1 ZINC000842322640 702703429 /nfs/dbraw/zinc/70/34/29/702703429.db2.gz BHZMVSNWMYAJAT-TZMCWYRMSA-N 0 2 309.325 1.705 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2CCC(=O)C2)n1 ZINC000842699541 702758934 /nfs/dbraw/zinc/75/89/34/702758934.db2.gz AMPHAAWIBBUVDZ-WCBMZHEXSA-N 0 2 306.343 1.865 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H]2CCC(=O)C2)n1 ZINC000842699541 702758935 /nfs/dbraw/zinc/75/89/35/702758935.db2.gz AMPHAAWIBBUVDZ-WCBMZHEXSA-N 0 2 306.343 1.865 20 30 DDEDLN C[C@H]1CCCc2[nH+]cc(C([O-])=C(C#N)C(=O)N3CCCC3)n21 ZINC000845438843 703156995 /nfs/dbraw/zinc/15/69/95/703156995.db2.gz CQISIKFVQHVTDN-NWDGAFQWSA-N 0 2 300.362 1.725 20 30 DDEDLN COCCCNC(=O)C(C#N)=C([O-])c1c[nH+]c2n1[C@@H](C)CCC2 ZINC000845440447 703157292 /nfs/dbraw/zinc/15/72/92/703157292.db2.gz RKSWHCSGEXWPRM-NWDGAFQWSA-N 0 2 318.377 1.256 20 30 DDEDLN CCOCCCNC(=O)C(C#N)=C([O-])c1[nH+]cc2n1CCCC2 ZINC000870133461 703923178 /nfs/dbraw/zinc/92/31/78/703923178.db2.gz YTDGUZGYDVXUFO-CYBMUJFWSA-N 0 2 318.377 1.085 20 30 DDEDLN C#CCOCCOC(=O)c1nn(-c2cc(C)ccc2F)cc1O ZINC000853915804 704334583 /nfs/dbraw/zinc/33/45/83/704334583.db2.gz LATPXFRHURDEGZ-UHFFFAOYSA-N 0 2 318.304 1.832 20 30 DDEDLN C=C(C)CONC(=O)Cc1occ(C)c1C(=O)NOCC(=C)C ZINC000824233697 705405457 /nfs/dbraw/zinc/40/54/57/705405457.db2.gz WOSTXAPSZKORLW-UHFFFAOYSA-N 0 2 322.361 1.992 20 30 DDEDLN Cc1cccc2c1O[C@@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C2 ZINC000835234973 707201105 /nfs/dbraw/zinc/20/11/05/707201105.db2.gz LLHZYOAFKNGHAE-CHWSQXEVSA-N 0 2 309.325 1.624 20 30 DDEDLN C=C(Cl)C[C@H]([NH3+])C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000901010140 709876683 /nfs/dbraw/zinc/87/66/83/709876683.db2.gz JJESFZLZUGXKOI-NSHDSACASA-N 0 2 302.783 1.270 20 30 DDEDLN CCCCCCCS(=O)(=O)Nc1nn(C)cc1C(=O)OC ZINC000903678199 711243597 /nfs/dbraw/zinc/24/35/97/711243597.db2.gz FGFJOUSXINNGEC-UHFFFAOYSA-N 0 2 317.411 1.919 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000938694828 715962448 /nfs/dbraw/zinc/96/24/48/715962448.db2.gz FRGZGZHQBZLFSZ-VHSXEESVSA-N 0 2 322.302 1.960 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC000938694828 715962454 /nfs/dbraw/zinc/96/24/54/715962454.db2.gz FRGZGZHQBZLFSZ-VHSXEESVSA-N 0 2 322.302 1.960 20 30 DDEDLN C#CC[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000948781975 719705496 /nfs/dbraw/zinc/70/54/96/719705496.db2.gz CLJCNQQILUGKAR-ARFHVFGLSA-N 0 2 314.433 1.470 20 30 DDEDLN C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC000969165673 719984891 /nfs/dbraw/zinc/98/48/91/719984891.db2.gz ALJHWXOLWRKHFV-IMSYWVGJSA-N 0 2 321.274 1.248 20 30 DDEDLN C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(F)(F)F ZINC000969165673 719984893 /nfs/dbraw/zinc/98/48/93/719984893.db2.gz ALJHWXOLWRKHFV-IMSYWVGJSA-N 0 2 321.274 1.248 20 30 DDEDLN C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969981843 720584728 /nfs/dbraw/zinc/58/47/28/720584728.db2.gz QHGUFRVJNRPZMS-UONOGXRCSA-N 0 2 302.422 1.458 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)CNc1cnc(C#N)cn1 ZINC001104237418 732738344 /nfs/dbraw/zinc/73/83/44/732738344.db2.gz XUDPQHBLCAPPRR-XVKPBYJWSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)CNc1cnc(C#N)cn1 ZINC001104237418 732738348 /nfs/dbraw/zinc/73/83/48/732738348.db2.gz XUDPQHBLCAPPRR-XVKPBYJWSA-N 0 2 319.262 1.413 20 30 DDEDLN C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001027885257 738772809 /nfs/dbraw/zinc/77/28/09/738772809.db2.gz CDMJZWIXUMBJFH-LSDHHAIUSA-N 0 2 300.406 1.434 20 30 DDEDLN Cn1cc(/C=C\C(=O)c2ccc(O)c(Cl)c2)c(=O)n(C)c1=O ZINC000588480313 734578207 /nfs/dbraw/zinc/57/82/07/734578207.db2.gz ZYJIUQQKOKOYMO-PLNGDYQASA-N 0 2 320.732 1.339 20 30 DDEDLN C=CCCC(C)(C)NC(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001167744997 737569768 /nfs/dbraw/zinc/56/97/68/737569768.db2.gz YIIDXJSNLBGEGF-UHFFFAOYSA-N 0 2 316.361 1.741 20 30 DDEDLN N#Cc1c(N)nn(C(=O)c2ccc(O)c(C(F)(F)F)c2)c1N ZINC001188571775 744719538 /nfs/dbraw/zinc/71/95/38/744719538.db2.gz DEQZLMFTYGWDSB-UHFFFAOYSA-N 0 2 311.223 1.332 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190524945 745239927 /nfs/dbraw/zinc/23/99/27/745239927.db2.gz JTLSKTMOAJOHTP-ZDUSSCGKSA-N 0 2 308.359 1.298 20 30 DDEDLN C=C[C@H]1C[C@]1(NC(=O)c1ccc(O)c(F)c1F)C(=O)OCC ZINC001192842204 745913212 /nfs/dbraw/zinc/91/32/12/745913212.db2.gz FYLCJNSHDHXZHL-VXJOIVPMSA-N 0 2 311.284 1.908 20 30 DDEDLN C[C@H](C#N)S(=O)(=O)Nc1cnc2c(C(C)(C)C)cnn2c1 ZINC001193112097 745982329 /nfs/dbraw/zinc/98/23/29/745982329.db2.gz OLSDNQVYYWBKLJ-SECBINFHSA-N 0 2 307.379 1.681 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2cncc(N3CCOCC3)c2)c1O ZINC001193642840 746160449 /nfs/dbraw/zinc/16/04/49/746160449.db2.gz RGWYMMVKJCICJN-UHFFFAOYSA-N 0 2 324.340 1.748 20 30 DDEDLN N#Cc1cccc(C(=O)NCC(=O)c2ccc(O)c(O)c2)c1O ZINC001193657736 746169047 /nfs/dbraw/zinc/16/90/47/746169047.db2.gz DBJBBWSBOIXBKO-UHFFFAOYSA-N 0 2 312.281 1.288 20 30 DDEDLN CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001033583528 749565878 /nfs/dbraw/zinc/56/58/78/749565878.db2.gz RPQIMWSUFNANKG-LLVKDONJSA-N 0 2 314.345 1.098 20 30 DDEDLN CC#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001033583528 749565883 /nfs/dbraw/zinc/56/58/83/749565883.db2.gz RPQIMWSUFNANKG-LLVKDONJSA-N 0 2 314.345 1.098 20 30 DDEDLN O=C(CCNC(O)=C1N=CC=CC1=O)N1CC=CC12CCCC2 ZINC000827900422 759413146 /nfs/dbraw/zinc/41/31/46/759413146.db2.gz OEXMHMMPPQJWFY-NXVVXOECSA-N 0 2 315.373 1.614 20 30 DDEDLN CCOC(=O)c1ccnc(Nc2c(C#N)cnn2C(=O)OC)n1 ZINC001169967988 762766628 /nfs/dbraw/zinc/76/66/28/762766628.db2.gz JAUUBOIALIKSNY-UHFFFAOYSA-N 0 2 316.277 1.080 20 30 DDEDLN C#Cc1cccc(NC(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)c1 ZINC001135253652 771412449 /nfs/dbraw/zinc/41/24/49/771412449.db2.gz YFUSOFODIHZYPL-UHFFFAOYSA-N 0 2 320.308 1.500 20 30 DDEDLN CC(C)Oc1ccc(C(=O)NCc2n[nH]c(=O)[nH]2)cc1C#N ZINC001148777768 773585779 /nfs/dbraw/zinc/58/57/79/773585779.db2.gz URDXRQSYNZNDPX-UHFFFAOYSA-N 0 2 301.306 1.099 20 30 DDEDLN N#Cc1c(N)nn(C(=O)c2ccc(C(F)(F)F)cc2O)c1N ZINC001148794896 773602971 /nfs/dbraw/zinc/60/29/71/773602971.db2.gz OXWPXWOMHWRPFI-UHFFFAOYSA-N 0 2 311.223 1.332 20 30 DDEDLN N#Cc1ccc(NCCCNC(=O)C(F)C(F)(F)F)cn1 ZINC001094845506 776463299 /nfs/dbraw/zinc/46/32/99/776463299.db2.gz DGCFKHAQPYCGGA-JTQLQIEISA-N 0 2 304.247 1.772 20 30 DDEDLN N#Cc1ccc(NCCCNC(=O)[C@H](F)C(F)(F)F)cn1 ZINC001094845506 776463304 /nfs/dbraw/zinc/46/33/04/776463304.db2.gz DGCFKHAQPYCGGA-JTQLQIEISA-N 0 2 304.247 1.772 20 30 DDEDLN C[C@H]1C[C@@H]1c1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)o1 ZINC001412875302 855747215 /nfs/dbraw/zinc/74/72/15/855747215.db2.gz SOTXCPJFRWAFFI-WPRPVWTQSA-N 0 2 300.318 1.274 20 30 DDEDLN CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001332111449 865586399 /nfs/dbraw/zinc/58/63/99/865586399.db2.gz NALOBQZADILDAF-XYJFISCASA-N 0 2 314.433 1.971 20 30 DDEDLN CCCN(Cc1ccccc1O)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001162780951 867818919 /nfs/dbraw/zinc/81/89/19/867818919.db2.gz IULRLUIBRSZVCG-UHFFFAOYSA-N 0 2 314.345 1.067 20 30 DDEDLN C=CCCOCC(=O)N[C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001298806312 870727713 /nfs/dbraw/zinc/72/77/13/870727713.db2.gz ANUSOVSIDMVHJN-WPRPVWTQSA-N 0 2 314.279 1.100 20 30 DDEDLN C=CCCOCC(=O)N[C@@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001298806312 870727720 /nfs/dbraw/zinc/72/77/20/870727720.db2.gz ANUSOVSIDMVHJN-WPRPVWTQSA-N 0 2 314.279 1.100 20 30 DDEDLN C[C@@H](CNC(=O)C#CC1CC1)CNC(=O)C(F)C(F)(F)F ZINC001357021953 879718619 /nfs/dbraw/zinc/71/86/19/879718619.db2.gz CVMOOMQRIGEGNH-GZMMTYOYSA-N 0 2 308.275 1.169 20 30 DDEDLN C[C@@H](CNC(=O)C#CC1CC1)CNC(=O)[C@@H](F)C(F)(F)F ZINC001357021953 879718624 /nfs/dbraw/zinc/71/86/24/879718624.db2.gz CVMOOMQRIGEGNH-GZMMTYOYSA-N 0 2 308.275 1.169 20 30 DDEDLN N#CC1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC2(CC2)C1 ZINC001362738757 884520695 /nfs/dbraw/zinc/52/06/95/884520695.db2.gz LVOHNMRVQRVJSI-SNVBAGLBSA-N 0 2 301.350 1.300 20 30 DDEDLN CCOc1n[nH]c(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)n1 ZINC001363643382 886862905 /nfs/dbraw/zinc/86/29/05/886862905.db2.gz UUGWRAMYBWPHPJ-UHFFFAOYSA-N 0 2 320.334 1.150 20 30 DDEDLN C[C@@H](NC(=O)C(F)C(F)(F)F)c1nc(C(F)(F)F)n[nH]1 ZINC001363644238 886865598 /nfs/dbraw/zinc/86/55/98/886865598.db2.gz BVXLTEJAMKNKQC-GBXIJSLDSA-N 0 2 308.157 1.901 20 30 DDEDLN COCC#CCN1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425389 887958751 /nfs/dbraw/zinc/95/87/51/887958751.db2.gz MWBAEYCMHOLGFA-GHMZBOCLSA-N 0 2 310.291 1.069 20 30 DDEDLN C#CCCCC(=O)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001292401416 913658948 /nfs/dbraw/zinc/65/89/48/913658948.db2.gz LVJAKMRZOQAVDH-NSHDSACASA-N 0 2 308.275 1.361 20 30 DDEDLN C#CCCCC(=O)N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001292401416 913658966 /nfs/dbraw/zinc/65/89/66/913658966.db2.gz LVJAKMRZOQAVDH-NSHDSACASA-N 0 2 308.275 1.361 20 30 DDEDLN COc1ccc(OC)c(S(=O)(=O)Nc2cncc(C#N)c2)c1 ZINC001254360820 896384124 /nfs/dbraw/zinc/38/41/24/896384124.db2.gz YERMDWMVFVJCMU-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN CC(=O)Nc1cc(NS(=O)(=O)c2ccc(C#N)cc2)ncn1 ZINC001258039190 898028036 /nfs/dbraw/zinc/02/80/36/898028036.db2.gz MGXNPTYDHMJADF-UHFFFAOYSA-N 0 2 317.330 1.107 20 30 DDEDLN C#Cc1cc(=NS(=O)(=O)c2cccc(OC(F)F)c2)cc[nH]1 ZINC001259438689 898669395 /nfs/dbraw/zinc/66/93/95/898669395.db2.gz GVRXUVVJDKHXDN-UHFFFAOYSA-N 0 2 324.308 1.887 20 30 DDEDLN C=CCOC[C@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)C(=O)[O-] ZINC001262157628 899990999 /nfs/dbraw/zinc/99/09/99/899990999.db2.gz KMEDYAIVHVLROX-RYUDHWBXSA-N 0 2 312.391 1.740 20 30 DDEDLN C#CCCCC(=O)N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001293576424 914562807 /nfs/dbraw/zinc/56/28/07/914562807.db2.gz KYEXSKCRHPLEPO-KOLCDFICSA-N 0 2 308.275 1.407 20 30 DDEDLN C#CCCCC(=O)N[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001293576424 914562817 /nfs/dbraw/zinc/56/28/17/914562817.db2.gz KYEXSKCRHPLEPO-KOLCDFICSA-N 0 2 308.275 1.407 20 30 DDEDLN Cc1c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)[nH]c2c1C(=O)CCC2 ZINC000026272417 352207175 /nfs/dbraw/zinc/20/71/75/352207175.db2.gz HWSIBEYUJOKVNK-UHFFFAOYSA-N 0 2 308.301 1.561 20 30 DDEDLN CC(C)(C)c1cc(NS(=O)(=O)c2cncc(C#N)c2)[nH]n1 ZINC000315187939 354491496 /nfs/dbraw/zinc/49/14/96/354491496.db2.gz VCCZZUQPTAABKT-UHFFFAOYSA-N 0 2 305.363 1.775 20 30 DDEDLN CC(C)C[C@@H](C#N)NC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000597074486 357054580 /nfs/dbraw/zinc/05/45/80/357054580.db2.gz CZBPHVCRRILVTF-LBPRGKRZSA-N 0 2 300.318 1.698 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H](O)C23CCC3)cc1C#N ZINC000598314549 357536427 /nfs/dbraw/zinc/53/64/27/357536427.db2.gz YBRLDMOINXCHOV-MNOVXSKESA-N 0 2 319.386 1.414 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCOC2(C)C)cc1C#N ZINC000598453721 357589663 /nfs/dbraw/zinc/58/96/63/357589663.db2.gz IKCLAMCLTQZOBL-JTQLQIEISA-N 0 2 321.402 1.926 20 30 DDEDLN CCN(CC)c1ccnc(N2N=C(C)[C@H](CCC#N)C2=O)n1 ZINC000601946464 358747760 /nfs/dbraw/zinc/74/77/60/358747760.db2.gz ZIRWRTXWDBVXHB-LBPRGKRZSA-N 0 2 300.366 1.965 20 30 DDEDLN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000620314396 364370650 /nfs/dbraw/zinc/37/06/50/364370650.db2.gz DEPDGUTUEOEAKW-PHIMTYICSA-N 0 2 312.329 1.759 20 30 DDEDLN N#Cc1c2c(cnc1N1CCC[C@@H](c3n[nH]c(=O)[nH]3)C1)CCC2 ZINC000567720978 304237221 /nfs/dbraw/zinc/23/72/21/304237221.db2.gz WEJLETQCQHRFGI-LLVKDONJSA-N 0 2 310.361 1.650 20 30 DDEDLN CCS(=O)(=O)C[C@@H](C)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000113006398 221512310 /nfs/dbraw/zinc/51/23/10/221512310.db2.gz FUXMPNCHFHYPLZ-MRACZJACSA-N 0 2 300.336 1.543 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1 ZINC000174770421 407988505 /nfs/dbraw/zinc/98/85/05/407988505.db2.gz ALECDGGNDBDPRE-UHFFFAOYSA-N 0 2 302.359 1.966 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@@]2(C)CO)cc1C#N ZINC000162162278 408676641 /nfs/dbraw/zinc/67/66/41/408676641.db2.gz HURFFQOTTRWOLL-ABAIWWIYSA-N 0 2 321.402 1.249 20 30 DDEDLN N#Cc1cccc(-n2ccc(C(=O)NN3CCCCC3=O)n2)c1 ZINC000281825954 408935995 /nfs/dbraw/zinc/93/59/95/408935995.db2.gz ZYVMIYCDJSIEQD-UHFFFAOYSA-N 0 2 309.329 1.401 20 30 DDEDLN CO[C@@H](C)CS(=O)(=O)Nc1ncccc1OCCCC#N ZINC000283988505 409253339 /nfs/dbraw/zinc/25/33/39/409253339.db2.gz HVGKIJOPGMRZHY-NSHDSACASA-N 0 2 313.379 1.541 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CC23CCCCC3)c1 ZINC000408489589 164347590 /nfs/dbraw/zinc/34/75/90/164347590.db2.gz UNIJFSXXUKQRQD-CYBMUJFWSA-N 0 2 319.386 1.729 20 30 DDEDLN Cc1cc(C#N)nc(NCc2nnc(COc3ccccc3)[nH]2)n1 ZINC000342868832 409959966 /nfs/dbraw/zinc/95/99/66/409959966.db2.gz JWVPNHDERHIMJR-UHFFFAOYSA-N 0 2 321.344 1.966 20 30 DDEDLN CSC1(CNC(=O)CSc2n[nH]c(=O)[nH]2)CCOCC1 ZINC000329307405 410223353 /nfs/dbraw/zinc/22/33/53/410223353.db2.gz ZCSLDFMBIJFAPO-UHFFFAOYSA-N 0 2 318.424 1.471 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC2CCOCC2)cc1C#N ZINC000355130292 410330055 /nfs/dbraw/zinc/33/00/55/410330055.db2.gz YWFMJMSEKFEKRB-UHFFFAOYSA-N 0 2 307.375 1.537 20 30 DDEDLN COCc1ccccc1S(=O)(=O)Nc1ccc(C#N)cn1 ZINC000352107253 410484474 /nfs/dbraw/zinc/48/44/74/410484474.db2.gz USESVXRYYCKOHS-UHFFFAOYSA-N 0 2 303.343 1.900 20 30 DDEDLN CCn1cc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)cn1 ZINC000360233995 411108184 /nfs/dbraw/zinc/10/81/84/411108184.db2.gz KVPQCVLTKIRRHN-UHFFFAOYSA-N 0 2 303.347 1.849 20 30 DDEDLN N#Cc1nc(NC(=O)c2cn(Cc3cccs3)nn2)[nH]c1C#N ZINC000175296029 221806177 /nfs/dbraw/zinc/80/61/77/221806177.db2.gz CSBRTLWRIVQKCF-UHFFFAOYSA-N 0 2 324.329 1.107 20 30 DDEDLN N#Cc1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cn1 ZINC000361117293 418586874 /nfs/dbraw/zinc/58/68/74/418586874.db2.gz ZWDOJMJJUGYLAP-ZDUSSCGKSA-N 0 2 306.329 1.761 20 30 DDEDLN N#Cc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000361117293 418586875 /nfs/dbraw/zinc/58/68/75/418586875.db2.gz ZWDOJMJJUGYLAP-ZDUSSCGKSA-N 0 2 306.329 1.761 20 30 DDEDLN CC/N=C1/NC(=O)C(CC(=O)Nc2ccc(C#N)cc2)S1 ZINC000263996148 222309541 /nfs/dbraw/zinc/30/95/41/222309541.db2.gz LTTPGHQWCPSUHJ-LLVKDONJSA-N 0 2 302.359 1.494 20 30 DDEDLN CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)S1 ZINC000263996148 222309548 /nfs/dbraw/zinc/30/95/48/222309548.db2.gz LTTPGHQWCPSUHJ-LLVKDONJSA-N 0 2 302.359 1.494 20 30 DDEDLN CC(C)(C)c1nc(=NC(=O)C(=O)NCC2(CC#N)CC2)s[nH]1 ZINC000430384191 420115572 /nfs/dbraw/zinc/11/55/72/420115572.db2.gz FPVOUCYQQVJAHA-UHFFFAOYSA-N 0 2 321.406 1.006 20 30 DDEDLN C=CCC[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(=O)OCC ZINC000456613874 420515050 /nfs/dbraw/zinc/51/50/50/420515050.db2.gz UHPNXFSJQZPHHH-LLVKDONJSA-N 0 2 322.317 1.928 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)c1cn(C)nc1C ZINC000561694839 421332982 /nfs/dbraw/zinc/33/29/82/421332982.db2.gz CORBPXLLTOEVFN-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCO[C@H](C3CC3)C2)cc1C#N ZINC000548584626 421451183 /nfs/dbraw/zinc/45/11/83/421451183.db2.gz SAMXBRUNNRJUST-LBPRGKRZSA-N 0 2 319.386 1.632 20 30 DDEDLN C[C@]1(Br)C[C@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000528925499 421525625 /nfs/dbraw/zinc/52/56/25/421525625.db2.gz XEOIOJRYDWVFSO-NRUUGDAUSA-N 0 2 313.195 1.928 20 30 DDEDLN C[C@]1(Br)C[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000528925499 421525629 /nfs/dbraw/zinc/52/56/29/421525629.db2.gz XEOIOJRYDWVFSO-NRUUGDAUSA-N 0 2 313.195 1.928 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)nc1 ZINC000552629210 421590994 /nfs/dbraw/zinc/59/09/94/421590994.db2.gz FJYSOWDUHYPNCB-UHFFFAOYSA-N 0 2 306.285 1.696 20 30 DDEDLN C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[N@@H+]1CCc2ccccc2C1 ZINC000571620390 421731947 /nfs/dbraw/zinc/73/19/47/421731947.db2.gz RRFQLIAUWGROPL-LLVKDONJSA-N 0 2 320.356 1.538 20 30 DDEDLN C[C@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[N@H+]1CCc2ccccc2C1 ZINC000571620390 421731948 /nfs/dbraw/zinc/73/19/48/421731948.db2.gz RRFQLIAUWGROPL-LLVKDONJSA-N 0 2 320.356 1.538 20 30 DDEDLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C#N)cc2)[nH]n1 ZINC000540978217 421782919 /nfs/dbraw/zinc/78/29/19/421782919.db2.gz HXUXLMZIHQMZHK-UHFFFAOYSA-N 0 2 320.330 1.259 20 30 DDEDLN COCc1ccccc1CS(=O)(=O)Nc1ncc(C#N)s1 ZINC000588944133 422316995 /nfs/dbraw/zinc/31/69/95/422316995.db2.gz HBOUQBLKHDXQJP-UHFFFAOYSA-N 0 2 323.399 2.103 20 30 DDEDLN CCN(C(=O)c1cc(C#N)c(SC)[nH]c1=O)[C@H]1CCOC1 ZINC000361211986 266097380 /nfs/dbraw/zinc/09/73/80/266097380.db2.gz RVNYJHQOEHDHRR-JTQLQIEISA-N 0 2 307.375 1.632 20 30 DDEDLN N#Cc1nc(NC(=O)c2cnc(C(F)(F)F)nc2)[nH]c1C#N ZINC000428891487 303217208 /nfs/dbraw/zinc/21/72/08/303217208.db2.gz HNZWIGYZBJHNHT-UHFFFAOYSA-N 0 2 307.195 1.214 20 30 DDEDLN CC1(C)COCC[N@@H+]1CC/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000170839470 333040749 /nfs/dbraw/zinc/04/07/49/333040749.db2.gz NTXSADGUMXWXNP-MHWRWJLKSA-N 0 2 307.350 1.830 20 30 DDEDLN CC1(C)COCC[N@H+]1CC/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000170839470 333040750 /nfs/dbraw/zinc/04/07/50/333040750.db2.gz NTXSADGUMXWXNP-MHWRWJLKSA-N 0 2 307.350 1.830 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N(C)[C@@H](C)CC#N)=N2)cc1 ZINC000180753368 333164934 /nfs/dbraw/zinc/16/49/34/333164934.db2.gz OETXLUDKIKSEAZ-NSHDSACASA-N 0 2 314.345 1.961 20 30 DDEDLN C#C[C@@H]1COCCN1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000491523017 527298569 /nfs/dbraw/zinc/29/85/69/527298569.db2.gz AZHLQWKHCLZLOG-SNVBAGLBSA-N 0 2 320.399 1.554 20 30 DDEDLN C#C[C@H](C)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000491277940 527322540 /nfs/dbraw/zinc/32/25/40/527322540.db2.gz QVTOECGBGNONBY-LBPRGKRZSA-N 0 2 313.361 1.547 20 30 DDEDLN C=CCCO[C@@H](C)C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000339600649 527377089 /nfs/dbraw/zinc/37/70/89/527377089.db2.gz LWUNRNHKARFJHO-JTQLQIEISA-N 0 2 304.375 1.942 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@H](CC(=O)[O-])C1 ZINC000819091157 597051385 /nfs/dbraw/zinc/05/13/85/597051385.db2.gz PHCSNLDNYQEHJM-LLVKDONJSA-N 0 2 314.349 1.431 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000736079149 600247595 /nfs/dbraw/zinc/24/75/95/600247595.db2.gz IHIOAEKFCSALJZ-ZDUSSCGKSA-N 0 2 312.329 1.297 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]nc(C(=O)[O-])c2c1 ZINC000736079149 600247597 /nfs/dbraw/zinc/24/75/97/600247597.db2.gz IHIOAEKFCSALJZ-ZDUSSCGKSA-N 0 2 312.329 1.297 20 30 DDEDLN N#Cc1ccc([C@@H]([NH2+]CC(=O)NCc2ccco2)C(=O)[O-])cc1 ZINC000739105951 600591549 /nfs/dbraw/zinc/59/15/49/600591549.db2.gz JYIOXDSWOLIILK-OAHLLOKOSA-N 0 2 313.313 1.183 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000825341979 604619490 /nfs/dbraw/zinc/61/94/90/604619490.db2.gz ADABIEOATLNLHN-SLEUVZQESA-N 0 2 303.362 1.976 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000825341979 604619492 /nfs/dbraw/zinc/61/94/92/604619492.db2.gz ADABIEOATLNLHN-SLEUVZQESA-N 0 2 303.362 1.976 20 30 DDEDLN Cc1oc(NC(=O)C[N@@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c(C#N)c1C ZINC000830942642 605473448 /nfs/dbraw/zinc/47/34/48/605473448.db2.gz OULJJLZNIDNICS-LLVKDONJSA-N 0 2 320.349 1.391 20 30 DDEDLN Cc1oc(NC(=O)C[N@H+](C)[C@@H]2CCN(C(=O)[O-])C2)c(C#N)c1C ZINC000830942642 605473450 /nfs/dbraw/zinc/47/34/50/605473450.db2.gz OULJJLZNIDNICS-LLVKDONJSA-N 0 2 320.349 1.391 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CSC[C@@H]1CCCCO1 ZINC000123019798 696727815 /nfs/dbraw/zinc/72/78/15/696727815.db2.gz WSSQZKMNDCHAEB-NWDGAFQWSA-N 0 2 321.402 1.614 20 30 DDEDLN C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000974695090 695713118 /nfs/dbraw/zinc/71/31/18/695713118.db2.gz VLPGIWQZJFETAF-NFAWXSAZSA-N 0 2 302.422 1.916 20 30 DDEDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC000747406829 700068398 /nfs/dbraw/zinc/06/83/98/700068398.db2.gz LZKOXPZOYYWTLQ-UHFFFAOYSA-N 0 2 321.318 1.424 20 30 DDEDLN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)COC[C@H]1CCCO1 ZINC000113650845 696658112 /nfs/dbraw/zinc/65/81/12/696658112.db2.gz NAWSSGHZZHMVAR-OLZOCXBDSA-N 0 2 313.357 1.945 20 30 DDEDLN Cn1cc2c(n1)CCC[C@@H]2C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000798842989 700101164 /nfs/dbraw/zinc/10/11/64/700101164.db2.gz CPFZAJMDFLDUPB-WDEREUQCSA-N 0 2 311.345 1.165 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCCC1CCOCC1 ZINC000798844394 700101441 /nfs/dbraw/zinc/10/14/41/700101441.db2.gz XENUEFBTFFXMMO-ZDUSSCGKSA-N 0 2 303.362 1.909 20 30 DDEDLN Cc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c(N(C)C)n1 ZINC000137206445 696857362 /nfs/dbraw/zinc/85/73/62/696857362.db2.gz ZCXSFDFYGFYRTG-UHFFFAOYSA-N 0 2 317.374 1.524 20 30 DDEDLN C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981483063 697107798 /nfs/dbraw/zinc/10/77/98/697107798.db2.gz DMAUTOJBMCNCKQ-OAHLLOKOSA-N 0 2 300.406 1.003 20 30 DDEDLN CON=Cc1ccc(C(=O)NCCc2n[nH]c(=S)o2)cc1 ZINC000776535745 698114004 /nfs/dbraw/zinc/11/40/04/698114004.db2.gz JROPPEYRLXMAHO-UHFFFAOYSA-N 0 2 306.347 1.311 20 30 DDEDLN COC(=O)[C@@H]1CCC[C@@H](C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000245903700 698340115 /nfs/dbraw/zinc/34/01/15/698340115.db2.gz AKHJROQOEAZMHV-IJLUTSLNSA-N 0 2 317.345 1.291 20 30 DDEDLN N#CCOc1cccc(NS(=O)(=O)c2cnc3n2CCC3)c1 ZINC000783528128 698847299 /nfs/dbraw/zinc/84/72/99/698847299.db2.gz BCMPBDXURKMLDQ-UHFFFAOYSA-N 0 2 318.358 1.532 20 30 DDEDLN Cc1c(S(=O)(=O)Nc2cccc(OCC#N)c2)cnn1C ZINC000387246280 699080956 /nfs/dbraw/zinc/08/09/56/699080956.db2.gz JEVRJZJNAQBOSX-UHFFFAOYSA-N 0 2 306.347 1.432 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)C[C@H]2CCOC2)n1 ZINC000740539795 699794903 /nfs/dbraw/zinc/79/49/03/699794903.db2.gz UQCUXTNHUYDPIG-NXEZZACHSA-N 0 2 308.359 1.923 20 30 DDEDLN CC(=NNc1nccn(C)c1=O)c1cc([N+](=O)[O-])ccc1O ZINC000758118414 700684492 /nfs/dbraw/zinc/68/44/92/700684492.db2.gz QMYIHJZUPYPBSK-UHFFFAOYSA-N 0 2 303.278 1.230 20 30 DDEDLN Cc1cc(C(C#N)C(=O)CO[C@H](C)c2nccn2C)nc(C)n1 ZINC000805852446 701413323 /nfs/dbraw/zinc/41/33/23/701413323.db2.gz CFFKUAWAPIUYML-DGCLKSJQSA-N 0 2 313.361 1.781 20 30 DDEDLN C=CCC(C)(C)c1noc(Cn2[nH]cc3c(=O)ncnc2-3)n1 ZINC000815706353 701917297 /nfs/dbraw/zinc/91/72/97/701917297.db2.gz CWTDWEFAXVCIOO-UHFFFAOYSA-N 0 2 300.322 1.356 20 30 DDEDLN O=C(C(F)C(F)(F)F)N(CCO)CCOCC(F)(F)F ZINC000815841440 701947879 /nfs/dbraw/zinc/94/78/79/701947879.db2.gz GMUSZWSGPWHDBC-LURJTMIESA-N 0 2 315.185 1.287 20 30 DDEDLN O=C([C@H](F)C(F)(F)F)N(CCO)CCOCC(F)(F)F ZINC000815841440 701947883 /nfs/dbraw/zinc/94/78/83/701947883.db2.gz GMUSZWSGPWHDBC-LURJTMIESA-N 0 2 315.185 1.287 20 30 DDEDLN C=CCC(F)(F)C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O ZINC000816106357 702014769 /nfs/dbraw/zinc/01/47/69/702014769.db2.gz IVPLHSNQSUYKKH-CQSZACIVSA-N 0 2 323.299 1.696 20 30 DDEDLN CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1c[nH+]c2n1CCC2 ZINC000850977906 703769690 /nfs/dbraw/zinc/76/96/90/703769690.db2.gz GPXBGZQODHKXFN-CQSZACIVSA-N 0 2 322.368 1.810 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1cnn2c1CCCC2 ZINC000870242557 703970645 /nfs/dbraw/zinc/97/06/45/703970645.db2.gz DWHRLMSGOIBBIK-LBPRGKRZSA-N 0 2 311.345 1.087 20 30 DDEDLN CCO[C@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C1CCOCC1 ZINC000870244215 703971633 /nfs/dbraw/zinc/97/16/33/703971633.db2.gz VXEZOJBLJWTRLL-DOMZBBRYSA-N 0 2 319.361 1.143 20 30 DDEDLN Cc1ccn2ncnc2c1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000820799865 704332433 /nfs/dbraw/zinc/33/24/33/704332433.db2.gz LJJNHKUQAXLWCE-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN CC(C)(C#N)CCS(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000821198580 704380485 /nfs/dbraw/zinc/38/04/85/704380485.db2.gz OSGKJHCUFVJMLG-UHFFFAOYSA-N 0 2 313.335 1.982 20 30 DDEDLN C=CCC1(NC(=O)CCNC(O)=C2N=CC=CC2=O)CCCC1 ZINC000855927390 704507262 /nfs/dbraw/zinc/50/72/62/704507262.db2.gz LQPLRMFKTNKLBO-NXVVXOECSA-N 0 2 317.389 1.908 20 30 DDEDLN C#C[C@@H](C)N(C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000861341041 705434275 /nfs/dbraw/zinc/43/42/75/705434275.db2.gz MOGSKZGAVAZQBL-MRVPVSSYSA-N 0 2 302.252 1.552 20 30 DDEDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2coc(C#N)c2)C1 ZINC000830783943 706578892 /nfs/dbraw/zinc/57/88/92/706578892.db2.gz ATCWGZWGHRDWJT-GFCCVEGCSA-N 0 2 315.251 1.434 20 30 DDEDLN C=CCONC(=O)CSc1nnc(C)n1Cc1ccccc1 ZINC000837044394 707570466 /nfs/dbraw/zinc/57/04/66/707570466.db2.gz MKVHBAQZJLBAGG-UHFFFAOYSA-N 0 2 318.402 1.961 20 30 DDEDLN C#CCSCC(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C ZINC000897266353 708274027 /nfs/dbraw/zinc/27/40/27/708274027.db2.gz GMBINPKWANEPQZ-SNVBAGLBSA-N 0 2 302.396 1.314 20 30 DDEDLN C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC(=O)[O-])cc1OC ZINC000902003092 710199332 /nfs/dbraw/zinc/19/93/32/710199332.db2.gz WSCFYUUGDWPYSS-AWEZNQCLSA-N 0 2 321.373 1.936 20 30 DDEDLN C=CCOc1ccc(C[N@H+]2CCOC[C@@H]2CC(=O)[O-])cc1OC ZINC000902003092 710199334 /nfs/dbraw/zinc/19/93/34/710199334.db2.gz WSCFYUUGDWPYSS-AWEZNQCLSA-N 0 2 321.373 1.936 20 30 DDEDLN O=c1c2ccccc2ncn1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000916369443 713452423 /nfs/dbraw/zinc/45/24/23/713452423.db2.gz FULZWVIDLLWDLX-UHFFFAOYSA-N 0 2 310.269 1.893 20 30 DDEDLN C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000972689798 735475928 /nfs/dbraw/zinc/47/59/28/735475928.db2.gz ZWXFXSHTWRXAER-FUHWJXTLSA-N 0 2 321.465 1.350 20 30 DDEDLN C=CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000972689800 735476026 /nfs/dbraw/zinc/47/60/26/735476026.db2.gz ZWXFXSHTWRXAER-SJLPKXTDSA-N 0 2 321.465 1.350 20 30 DDEDLN COC(=O)c1n[nH]c(C)c1NC(=O)c1cccc(C#N)c1O ZINC001193642528 746160218 /nfs/dbraw/zinc/16/02/18/746160218.db2.gz HVZDHECJXKXZOJ-UHFFFAOYSA-N 0 2 300.274 1.334 20 30 DDEDLN C=CCCC1(C(=O)N2CCCN(Cc3n[nH]c(=O)[nH]3)CC2)CC1 ZINC001197062238 747051981 /nfs/dbraw/zinc/05/19/81/747051981.db2.gz NGSDKWNVILDESQ-UHFFFAOYSA-N 0 2 319.409 1.291 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ncn[nH]2)CC(C)(C)C1 ZINC001089518192 747148182 /nfs/dbraw/zinc/14/81/82/747148182.db2.gz BQRDTRFINIJARK-LLVKDONJSA-N 0 2 311.817 1.778 20 30 DDEDLN CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001033583529 749566313 /nfs/dbraw/zinc/56/63/13/749566313.db2.gz RPQIMWSUFNANKG-NSHDSACASA-N 0 2 314.345 1.098 20 30 DDEDLN CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001033583529 749566317 /nfs/dbraw/zinc/56/63/17/749566317.db2.gz RPQIMWSUFNANKG-NSHDSACASA-N 0 2 314.345 1.098 20 30 DDEDLN CC(C)C#CC(=O)NCC1(NC(=O)C(F)C(F)(F)F)CCC1 ZINC001062965091 753875423 /nfs/dbraw/zinc/87/54/23/753875423.db2.gz ZNAALGRAWYHCGT-LLVKDONJSA-N 0 2 322.302 1.701 20 30 DDEDLN CC(C)C#CC(=O)NCC1(NC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001062965091 753875429 /nfs/dbraw/zinc/87/54/29/753875429.db2.gz ZNAALGRAWYHCGT-LLVKDONJSA-N 0 2 322.302 1.701 20 30 DDEDLN C=CC[N@H+]1C[C@H](NC(=O)Cn2cc[nH+]c2)CC2(CCOCC2)C1 ZINC001089970318 754329861 /nfs/dbraw/zinc/32/98/61/754329861.db2.gz ZDZAFQXWDGFXTR-OAHLLOKOSA-N 0 2 318.421 1.056 20 30 DDEDLN COC(=O)n1ncc(C#N)c1Nc1nc(Cl)cc(OC)n1 ZINC001169961808 762776970 /nfs/dbraw/zinc/77/69/70/762776970.db2.gz ATSOZIJHHUAPHF-UHFFFAOYSA-N 0 2 308.685 1.565 20 30 DDEDLN C[C@]1(NC(=O)c2cn[nH]n2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046439551 767571283 /nfs/dbraw/zinc/57/12/83/767571283.db2.gz VNSDSAHXDPROSW-AWEZNQCLSA-N 0 2 316.390 1.132 20 30 DDEDLN C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001131972715 768518866 /nfs/dbraw/zinc/51/88/66/768518866.db2.gz USSSANUZKCSODQ-OLZOCXBDSA-N 0 2 319.409 1.173 20 30 DDEDLN C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001131972715 768518868 /nfs/dbraw/zinc/51/88/68/768518868.db2.gz USSSANUZKCSODQ-OLZOCXBDSA-N 0 2 319.409 1.173 20 30 DDEDLN N#Cc1ccc(NCCCNC(=O)C(F)C(F)(F)F)nn1 ZINC001094845761 776465663 /nfs/dbraw/zinc/46/56/63/776465663.db2.gz GNTDRHBNVXYOSF-VIFPVBQESA-N 0 2 305.235 1.167 20 30 DDEDLN N#Cc1ccc(NCCCNC(=O)[C@H](F)C(F)(F)F)nn1 ZINC001094845761 776465666 /nfs/dbraw/zinc/46/56/66/776465666.db2.gz GNTDRHBNVXYOSF-VIFPVBQESA-N 0 2 305.235 1.167 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)nc1 ZINC001100747935 776496458 /nfs/dbraw/zinc/49/64/58/776496458.db2.gz JONWVAWPGWJLCQ-LLVKDONJSA-N 0 2 318.274 1.796 20 30 DDEDLN CCN(CCNC(=O)[C@@H](F)C(F)(F)F)c1ccc(C#N)nc1 ZINC001100747935 776496464 /nfs/dbraw/zinc/49/64/64/776496464.db2.gz JONWVAWPGWJLCQ-LLVKDONJSA-N 0 2 318.274 1.796 20 30 DDEDLN C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001272690712 846630218 /nfs/dbraw/zinc/63/02/18/846630218.db2.gz CQTDGQGFSKIVND-AWEZNQCLSA-N 0 2 310.401 1.943 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2cncnc2C)cc1C#N ZINC001412328758 854437936 /nfs/dbraw/zinc/43/79/36/854437936.db2.gz NPOZZVOXSCFMGI-UHFFFAOYSA-N 0 2 301.331 1.732 20 30 DDEDLN N#Cc1ccc(CNC(=O)c2c[nH]c3cccnc3c2=O)cn1 ZINC001153862761 864173749 /nfs/dbraw/zinc/17/37/49/864173749.db2.gz DXZPQQQTRNKGLO-UHFFFAOYSA-N 0 2 305.297 1.120 20 30 DDEDLN COC(=O)n1ncc(C#N)c1Nc1ccc([N+](=O)[O-])c(OC)n1 ZINC001158967520 865006055 /nfs/dbraw/zinc/00/60/55/865006055.db2.gz VWZPUDFHWNNQCY-UHFFFAOYSA-N 0 2 318.249 1.425 20 30 DDEDLN CCOC(=O)N1CCC(Oc2[nH]c(=O)cc(C)c2C#N)CC1 ZINC001226220805 882289584 /nfs/dbraw/zinc/28/95/84/882289584.db2.gz BRVVPHQNWGIOPR-UHFFFAOYSA-N 0 2 305.334 1.967 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2cc(-c3ccc(F)cc3)no2)c1=O ZINC001307359666 871426158 /nfs/dbraw/zinc/42/61/58/871426158.db2.gz NRSNSDBUXBIGQU-UHFFFAOYSA-N 0 2 312.260 1.251 20 30 DDEDLN C=CCOCC[NH+]1CCC(NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC001227139323 882871837 /nfs/dbraw/zinc/87/18/37/882871837.db2.gz ZRLSJIXKJDFLEO-UHFFFAOYSA-N 0 2 306.410 1.126 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@H](COC)C1 ZINC001356152708 878891357 /nfs/dbraw/zinc/89/13/57/878891357.db2.gz KQQKENLUUFVODK-VIFPVBQESA-N 0 2 323.788 1.375 20 30 DDEDLN C[C@H](NC(=O)c1cc(F)c(C#N)c(F)c1)c1nn(C)cc1O ZINC001363839006 887360330 /nfs/dbraw/zinc/36/03/30/887360330.db2.gz OBUQFVLFLQCLFC-ZETCQYMHSA-N 0 2 306.272 1.767 20 30 DDEDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1cccc(F)c1F ZINC001364558475 888919887 /nfs/dbraw/zinc/91/98/87/888919887.db2.gz IEFUZVLRCOVSDD-ZETCQYMHSA-N 0 2 306.272 1.397 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(Cl)c(F)c1 ZINC001365227267 890392513 /nfs/dbraw/zinc/39/25/13/890392513.db2.gz XBCSEXDTEJVANL-SSDOTTSWSA-N 0 2 322.727 1.911 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)NC(=O)CC(F)(F)F ZINC001386300886 890746944 /nfs/dbraw/zinc/74/69/44/890746944.db2.gz DHUCWQYTIWKOLH-INEUFUBQSA-N 0 2 312.185 1.460 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)NC(=O)CC(F)(F)F ZINC001386300886 890746947 /nfs/dbraw/zinc/74/69/47/890746947.db2.gz DHUCWQYTIWKOLH-INEUFUBQSA-N 0 2 312.185 1.460 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2cccc3cccnc32)CCC1=O ZINC001250988843 894547886 /nfs/dbraw/zinc/54/78/86/894547886.db2.gz PYGXJWVSABTYMO-LBPRGKRZSA-N 0 2 315.354 1.338 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2ccc(F)c(F)c2F)cn1 ZINC001259074367 898453052 /nfs/dbraw/zinc/45/30/52/898453052.db2.gz SLDUXBFHKFIGGS-UHFFFAOYSA-N 0 2 314.248 1.566 20 30 DDEDLN CC(=O)c1cccc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC001259118515 898475787 /nfs/dbraw/zinc/47/57/87/898475787.db2.gz JFPSILIWMKVDPB-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001293575794 914563167 /nfs/dbraw/zinc/56/31/67/914563167.db2.gz CTVZYSFKMNKQKM-KOLCDFICSA-N 0 2 310.291 1.960 20 30 DDEDLN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001293575794 914563178 /nfs/dbraw/zinc/56/31/78/914563178.db2.gz CTVZYSFKMNKQKM-KOLCDFICSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)c2[nH]nc(C)c2[O-])C1 ZINC001266096301 902930655 /nfs/dbraw/zinc/93/06/55/902930655.db2.gz FCEWKDANZXIYOP-ZDUSSCGKSA-N 0 2 322.409 1.163 20 30 DDEDLN C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)c2[nH]nc(C)c2[O-])C1 ZINC001266096301 902930668 /nfs/dbraw/zinc/93/06/68/902930668.db2.gz FCEWKDANZXIYOP-ZDUSSCGKSA-N 0 2 322.409 1.163 20 30 DDEDLN C#CCCCC(=O)N1CCC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001293863711 914741106 /nfs/dbraw/zinc/74/11/06/914741106.db2.gz CUEWBSHVJVYTER-CMPLNLGQSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)N1CCC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001293863711 914741111 /nfs/dbraw/zinc/74/11/11/914741111.db2.gz CUEWBSHVJVYTER-CMPLNLGQSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCCC(=O)N1CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001285862923 911324351 /nfs/dbraw/zinc/32/43/51/911324351.db2.gz PAGOLJVJIYDZOW-PWSUYJOCSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCCC(=O)N1CC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001285862923 911324364 /nfs/dbraw/zinc/32/43/64/911324364.db2.gz PAGOLJVJIYDZOW-PWSUYJOCSA-N 0 2 322.302 1.798 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc(-c3cccs3)[nH]n2)[nH]c1C#N ZINC000076906230 185053710 /nfs/dbraw/zinc/05/37/10/185053710.db2.gz FDUSHCMOYHTZQU-UHFFFAOYSA-N 0 2 309.314 1.857 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)c1 ZINC000591831299 355393115 /nfs/dbraw/zinc/39/31/15/355393115.db2.gz BWAGPTFWQYIBQK-JTQLQIEISA-N 0 2 314.301 1.372 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCC2(CO)CCC2)cc1C#N ZINC000593879835 356038397 /nfs/dbraw/zinc/03/83/97/356038397.db2.gz PSDLKPOJELLZJK-UHFFFAOYSA-N 0 2 321.402 1.663 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](C)C2(CO)CC2)cc1C#N ZINC000598038579 357437365 /nfs/dbraw/zinc/43/73/65/357437365.db2.gz FJGQZMPHVVEDLL-MRVPVSSYSA-N 0 2 307.375 1.272 20 30 DDEDLN N#Cc1nc(NC(=O)C[C@@H](n2cccn2)C(F)(F)F)[nH]c1C#N ZINC000598662095 357675807 /nfs/dbraw/zinc/67/58/07/357675807.db2.gz OFRWZTIHYNZTDD-SECBINFHSA-N 0 2 323.238 1.482 20 30 DDEDLN COC(C)(C)c1nc(=NC(=O)c2cc(C#N)cn2C)s[nH]1 ZINC000601797118 358698345 /nfs/dbraw/zinc/69/83/45/358698345.db2.gz RXCVNDLVUSYNRI-UHFFFAOYSA-N 0 2 305.363 1.304 20 30 DDEDLN COC(C)(C)c1nc(=NC(=O)c2ccc(C#N)cc2)s[nH]1 ZINC000601798173 358698751 /nfs/dbraw/zinc/69/87/51/358698751.db2.gz WONPKDAXMSYFEZ-UHFFFAOYSA-N 0 2 302.359 1.965 20 30 DDEDLN CC(=O)N[C@H]1C(C)=NN(c2ccc(C#N)c(C(F)(F)F)c2)C1=O ZINC000601941384 358745551 /nfs/dbraw/zinc/74/55/51/358745551.db2.gz VQSOEFAXPHPERM-LBPRGKRZSA-N 0 2 324.262 1.804 20 30 DDEDLN C[C@H]1CN(Cc2nc(=O)c3sccc3[nH]2)C[C@H](C)N1CC#N ZINC000602866211 359250655 /nfs/dbraw/zinc/25/06/55/359250655.db2.gz VGYMVJYQWLVIAD-QWRGUYRKSA-N 0 2 317.418 1.815 20 30 DDEDLN Cc1cc(C#N)cc(NS(=O)(=O)c2cnn3c2OCCC3)c1 ZINC000603416489 359627368 /nfs/dbraw/zinc/62/73/68/359627368.db2.gz GQDONCOHCWSSNX-UHFFFAOYSA-N 0 2 318.358 1.647 20 30 DDEDLN CCOC(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)nc1C ZINC000339080153 250283404 /nfs/dbraw/zinc/28/34/04/250283404.db2.gz BDVSKPPMNMFRCO-UHFFFAOYSA-N 0 2 324.300 1.285 20 30 DDEDLN CNc1ccc(C#N)cc1NS(=O)(=O)c1cn(C)nc1C ZINC000340985661 251320229 /nfs/dbraw/zinc/32/02/29/251320229.db2.gz TWMVCYPYWFSEKE-UHFFFAOYSA-N 0 2 305.363 1.443 20 30 DDEDLN C=CCn1nnnc1SCc1nc(=O)c2sccc2[nH]1 ZINC000048873370 407109593 /nfs/dbraw/zinc/10/95/93/407109593.db2.gz BGNBVHZNXKNBOE-UHFFFAOYSA-N 0 2 306.376 1.449 20 30 DDEDLN C=CCNC(=O)[C@@H](C)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000131509045 407739964 /nfs/dbraw/zinc/73/99/64/407739964.db2.gz DLMLXXCEWRQNTB-SECBINFHSA-N 0 2 306.391 1.107 20 30 DDEDLN Cn1ncc2c1[nH]cc(C(=O)N[C@H](C#N)C1CCCCC1)c2=O ZINC000179536106 407803403 /nfs/dbraw/zinc/80/34/03/407803403.db2.gz ZVAPKIWFFNKOCN-CYBMUJFWSA-N 0 2 313.361 1.876 20 30 DDEDLN C#CCN(CC#C)C(=O)C1=NN(c2ccccc2CC)CC1=O ZINC000120749408 408142599 /nfs/dbraw/zinc/14/25/99/408142599.db2.gz XNCAGHOXRQVWQT-UHFFFAOYSA-N 0 2 307.353 1.849 20 30 DDEDLN N#Cc1cc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)ccn1 ZINC000193066109 163246764 /nfs/dbraw/zinc/24/67/64/163246764.db2.gz UXBBVGRQBZIIGQ-UHFFFAOYSA-N 0 2 307.269 1.549 20 30 DDEDLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCC#CCO)=N2)c1 ZINC000283143636 409097616 /nfs/dbraw/zinc/09/76/16/409097616.db2.gz FGPKDMVRGFQOBR-UHFFFAOYSA-N 0 2 313.357 1.427 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2[C@H](C)COC[C@H]2C)cc1C#N ZINC000408136278 164239019 /nfs/dbraw/zinc/23/90/19/164239019.db2.gz CLUDZANVKJFLGT-RKDXNWHRSA-N 0 2 307.375 1.630 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)CCn2cccn2)cc1C#N ZINC000348951982 409606043 /nfs/dbraw/zinc/60/60/43/409606043.db2.gz UGUBQUNIFLQXMQ-UHFFFAOYSA-N 0 2 317.374 1.349 20 30 DDEDLN COc1cc(C(=O)N=c2[nH][nH]c(C)c2C#N)ccc1[N+](=O)[O-] ZINC000357230134 409948293 /nfs/dbraw/zinc/94/82/93/409948293.db2.gz KPWLPGVOOPMXMU-UHFFFAOYSA-N 0 2 301.262 1.759 20 30 DDEDLN CC(C)(C)n1cnc(NS(=O)(=O)c2cncc(C#N)c2)n1 ZINC000357386612 410008365 /nfs/dbraw/zinc/00/83/65/410008365.db2.gz KNLJPLSRCIBQBD-UHFFFAOYSA-N 0 2 306.351 1.101 20 30 DDEDLN O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000328963184 410022701 /nfs/dbraw/zinc/02/27/01/410022701.db2.gz RESDNPOYKOMQHF-KBPBESRZSA-N 0 2 303.410 1.107 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1C#N ZINC000357995005 410338275 /nfs/dbraw/zinc/33/82/75/410338275.db2.gz NTPPJTDMGGZGMW-LDYMZIIASA-N 0 2 307.375 1.224 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cnnc(-c3ccccc3)c2)c1C#N ZINC000356171480 410874830 /nfs/dbraw/zinc/87/48/30/410874830.db2.gz UANAACKOLMHPMO-UHFFFAOYSA-N 0 2 304.313 2.299 20 30 DDEDLN N#CCCN(Cc1ccccn1)S(=O)(=O)NCC(F)(F)F ZINC000192020358 222116129 /nfs/dbraw/zinc/11/61/29/222116129.db2.gz KNIMMUJRBVZDER-UHFFFAOYSA-N 0 2 322.312 1.194 20 30 DDEDLN COc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)nn1C ZINC000361542879 418674417 /nfs/dbraw/zinc/67/44/17/418674417.db2.gz IDYAVTCAWIMQHJ-JTQLQIEISA-N 0 2 307.313 1.862 20 30 DDEDLN C=CCOc1cc(OC)ccc1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000361674030 418698356 /nfs/dbraw/zinc/69/83/56/418698356.db2.gz OIYDNEKFFAIWNV-UHFFFAOYSA-N 0 2 304.306 1.014 20 30 DDEDLN N#Cc1cccc(C=CC(=O)NCCc2n[nH]c(=S)o2)c1 ZINC000492678995 420626269 /nfs/dbraw/zinc/62/62/69/420626269.db2.gz LJGKRWAQNRNAIA-SNAWJCMRSA-N 0 2 300.343 1.602 20 30 DDEDLN N#Cc1cccc(C=CC(=O)NCCC2N=NC(=S)O2)c1 ZINC000492678995 420626271 /nfs/dbraw/zinc/62/62/71/420626271.db2.gz LJGKRWAQNRNAIA-SNAWJCMRSA-N 0 2 300.343 1.602 20 30 DDEDLN N#CCc1ccnc(NS(=O)(=O)c2cnc3n2CCC3)c1 ZINC000527357074 421380617 /nfs/dbraw/zinc/38/06/17/421380617.db2.gz GGZOMCOFMKKCQU-UHFFFAOYSA-N 0 2 303.347 1.091 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000528967486 421525677 /nfs/dbraw/zinc/52/56/77/421525677.db2.gz AGLIPQZYKZMWRT-WDEREUQCSA-N 0 2 303.362 1.905 20 30 DDEDLN C[C@@H]1CCCc2nc(S(=O)(=O)Nc3ncc(C#N)s3)cn21 ZINC000591326496 422325968 /nfs/dbraw/zinc/32/59/68/422325968.db2.gz LQAIWTRVIUJGER-MRVPVSSYSA-N 0 2 323.403 1.909 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2cc(C#N)ccn2)ccc1[N+](=O)[O-] ZINC000352860901 267359084 /nfs/dbraw/zinc/35/90/84/267359084.db2.gz ZVWPNZDAIHAZCK-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN N#Cc1ccc(N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000367367795 268115617 /nfs/dbraw/zinc/11/56/17/268115617.db2.gz NHMSFTVMRUHJLF-JTQLQIEISA-N 0 2 314.305 1.674 20 30 DDEDLN N#Cc1ccc2ncc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2c1 ZINC000369480620 268224757 /nfs/dbraw/zinc/22/47/57/268224757.db2.gz QBYYAFJSFFGRGH-GOEBONIOSA-N 0 2 311.389 1.159 20 30 DDEDLN N#Cc1c[nH]c(=O)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c1=O ZINC000568629787 308125346 /nfs/dbraw/zinc/12/53/46/308125346.db2.gz KBFWJXNILBTZSC-UHFFFAOYSA-N 0 2 313.357 1.194 20 30 DDEDLN COC(=O)CC1(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000569701539 308147092 /nfs/dbraw/zinc/14/70/92/308147092.db2.gz AHANSVJBTXHNPX-UHFFFAOYSA-N 0 2 321.358 1.206 20 30 DDEDLN N#C[C@@H](C(=O)c1cnc2n[nH]nc2c1)c1nc2ccccc2o1 ZINC000526110101 336127287 /nfs/dbraw/zinc/12/72/87/336127287.db2.gz NOWPSZRNAFVZRK-VIFPVBQESA-N 0 2 304.269 1.984 20 30 DDEDLN N#CC(C(=O)c1cnc2n[nH]nc2c1)c1nc2ccccc2o1 ZINC000526110101 336127289 /nfs/dbraw/zinc/12/72/89/336127289.db2.gz NOWPSZRNAFVZRK-VIFPVBQESA-N 0 2 304.269 1.984 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cn4c(n3)CCC4)nc21 ZINC000572120029 337591628 /nfs/dbraw/zinc/59/16/28/337591628.db2.gz FHUDKDPKEDXHPP-SNVBAGLBSA-N 0 2 306.329 1.899 20 30 DDEDLN C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccnn2C)cc1 ZINC000340077863 526655273 /nfs/dbraw/zinc/65/52/73/526655273.db2.gz MDGVJXJCTWWMKN-UHFFFAOYSA-N 0 2 320.374 1.137 20 30 DDEDLN C#C[C@H](NC(=O)CSc1n[nH]c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000491553647 527382843 /nfs/dbraw/zinc/38/28/43/527382843.db2.gz BNOZZGLRERTOMN-JTQLQIEISA-N 0 2 322.777 1.747 20 30 DDEDLN C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000819821632 597628171 /nfs/dbraw/zinc/62/81/71/597628171.db2.gz IVSVGEYGIRBDKP-HNNXBMFYSA-N 0 2 321.402 1.397 20 30 DDEDLN Cc1cc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)oc1C(=O)[O-] ZINC000738383677 600317717 /nfs/dbraw/zinc/31/77/17/600317717.db2.gz CINNEKUSXXECPZ-AWEZNQCLSA-N 0 2 305.378 1.952 20 30 DDEDLN N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H](NC(=O)[O-])C3)o2)c1 ZINC000831146182 604368791 /nfs/dbraw/zinc/36/87/91/604368791.db2.gz KHQVHWPQHVBMJB-GFCCVEGCSA-N 0 2 313.317 1.450 20 30 DDEDLN N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@@H](NC(=O)[O-])C3)o2)c1 ZINC000831146182 604368792 /nfs/dbraw/zinc/36/87/92/604368792.db2.gz KHQVHWPQHVBMJB-GFCCVEGCSA-N 0 2 313.317 1.450 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000833966530 605683241 /nfs/dbraw/zinc/68/32/41/605683241.db2.gz LRYNFYWDSCCXEX-JIMOISOXSA-N 0 2 311.288 1.090 20 30 DDEDLN O=C1c2ccccc2C(=O)N1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000002819972 696005897 /nfs/dbraw/zinc/00/58/97/696005897.db2.gz IRHRKRWNRHEMRG-UHFFFAOYSA-N 0 2 311.253 1.931 20 30 DDEDLN Cc1csc([C@H](C#N)C(=O)CCC(=O)N2CCOCC2)n1 ZINC000041517829 696141460 /nfs/dbraw/zinc/14/14/60/696141460.db2.gz HAGJCQROCXNLQI-LLVKDONJSA-N 0 2 307.375 1.267 20 30 DDEDLN Cc1nc2cc[nH]n2c(=O)c1CC(=O)OCC1(CC#N)CC1 ZINC000174754526 697391752 /nfs/dbraw/zinc/39/17/52/697391752.db2.gz CGZDLJJUGNJUKZ-UHFFFAOYSA-N 0 2 300.318 1.111 20 30 DDEDLN N#Cc1ccc([C@@H](O)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000780993614 698580782 /nfs/dbraw/zinc/58/07/82/698580782.db2.gz JLOASJLABBFJJF-CQSZACIVSA-N 0 2 313.269 1.844 20 30 DDEDLN N#CC1(NC(=O)COC(=O)c2cc(F)c(O)c(F)c2)CCC1 ZINC000784230487 698918454 /nfs/dbraw/zinc/91/84/54/698918454.db2.gz OAGTVEVJKXIMRV-UHFFFAOYSA-N 0 2 310.256 1.390 20 30 DDEDLN N#CC(C(=O)CCCCNC(N)=O)c1nc2ccccc2o1 ZINC000729069598 699465614 /nfs/dbraw/zinc/46/56/14/699465614.db2.gz SOXJGZVOWWXCLZ-SNVBAGLBSA-N 0 2 300.318 1.843 20 30 DDEDLN N#CC(C(=O)CN1CCSC1=O)c1cnc2ccccc2n1 ZINC000792107285 699675686 /nfs/dbraw/zinc/67/56/86/699675686.db2.gz ALBFWRQPRWBKEF-SNVBAGLBSA-N 0 2 312.354 1.975 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738461540 699759933 /nfs/dbraw/zinc/75/99/33/699759933.db2.gz UMHNLKNFCWDXCE-HNNXBMFYSA-N 0 2 313.357 1.763 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-] ZINC000738461540 699759936 /nfs/dbraw/zinc/75/99/36/699759936.db2.gz UMHNLKNFCWDXCE-HNNXBMFYSA-N 0 2 313.357 1.763 20 30 DDEDLN CNC(=O)C[C@H]1SC(=Nc2cnc3ccccc3c2)NC1=O ZINC000743278064 699905667 /nfs/dbraw/zinc/90/56/67/699905667.db2.gz ZFILEOCFDMTCAL-GFCCVEGCSA-N 0 2 314.370 1.590 20 30 DDEDLN C#C[C@H](CC)NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000753263741 700418752 /nfs/dbraw/zinc/41/87/52/700418752.db2.gz GYLNDXMHLVKUBL-SECBINFHSA-N 0 2 304.375 1.950 20 30 DDEDLN CC(C)(C)n1ncc2c1nc(N=NC1CCC(O)CC1)[nH]c2=O ZINC000761815817 700869993 /nfs/dbraw/zinc/86/99/93/700869993.db2.gz JQLFEMXGNFSKAP-UHFFFAOYSA-N 0 2 318.381 1.990 20 30 DDEDLN CN1CCC(=NNc2nc(Br)cn3ccnc23)C1=O ZINC000761810569 700869995 /nfs/dbraw/zinc/86/99/95/700869995.db2.gz OQAUNNYTHILLEJ-UHFFFAOYSA-N 0 2 323.154 1.122 20 30 DDEDLN C[C@@H](N1CCN(C(=O)C(F)C(F)(F)F)CC1)C(F)(F)F ZINC000764615153 700978869 /nfs/dbraw/zinc/97/88/69/700978869.db2.gz XRUQOHZPPNZOCT-RNFRBKRXSA-N 0 2 310.213 1.982 20 30 DDEDLN C[C@@H](N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1)C(F)(F)F ZINC000764615153 700978870 /nfs/dbraw/zinc/97/88/70/700978870.db2.gz XRUQOHZPPNZOCT-RNFRBKRXSA-N 0 2 310.213 1.982 20 30 DDEDLN CC(C)(C)n1ncc2c1[nH]c(NN=C1CCCOC1)nc2=O ZINC000769811022 701257273 /nfs/dbraw/zinc/25/72/73/701257273.db2.gz XXPYTXKQBZOFHZ-UHFFFAOYSA-N 0 2 304.354 1.865 20 30 DDEDLN CC(C)(C)n1ncc2c1nc(N=NC1CCCOC1)[nH]c2=O ZINC000769811022 701257275 /nfs/dbraw/zinc/25/72/75/701257275.db2.gz XXPYTXKQBZOFHZ-UHFFFAOYSA-N 0 2 304.354 1.865 20 30 DDEDLN Cc1nn(C)c(C)c1[C@@H](C)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770861917 701298209 /nfs/dbraw/zinc/29/82/09/701298209.db2.gz HTRWDQGUAOSKLI-SKDRFNHKSA-N 0 2 313.361 1.466 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1N[NH+]=Cc1c(C)nn(C)c1N ZINC000814886500 701764593 /nfs/dbraw/zinc/76/45/93/701764593.db2.gz DBUAKQCYHFEKQT-UHFFFAOYSA-N 0 2 303.322 1.464 20 30 DDEDLN C=C=CCNC(=O)c1ccc2c(c1)[nH]c(=S)n(CC=C)c2=O ZINC000816701218 702158707 /nfs/dbraw/zinc/15/87/07/702158707.db2.gz KRVAROKRDKTRJT-UHFFFAOYSA-N 0 2 313.382 1.942 20 30 DDEDLN CCc1ccc([C@H](C#N)NC(=O)C[C@@H]2SC(=N)NC2=O)cc1 ZINC000813676597 702396590 /nfs/dbraw/zinc/39/65/90/702396590.db2.gz OXEQYNDROJSJRG-RYUDHWBXSA-N 0 2 316.386 1.486 20 30 DDEDLN Cc1cc(C(C#N)C(=O)COCC(=O)OC(C)(C)C)nc(C)n1 ZINC000842683752 702755935 /nfs/dbraw/zinc/75/59/35/702755935.db2.gz BZUKDXAYPAMQGC-GFCCVEGCSA-N 0 2 319.361 1.628 20 30 DDEDLN N#CCCN(CC[NH+]1CCOCC1)Cc1ccc(C(=O)[O-])cc1 ZINC000821324764 704391151 /nfs/dbraw/zinc/39/11/51/704391151.db2.gz MYIIEHRGECQULM-UHFFFAOYSA-N 0 2 317.389 1.433 20 30 DDEDLN CC[C@@H](CC#N)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000860827402 705293700 /nfs/dbraw/zinc/29/37/00/705293700.db2.gz ZOWONGOZIIZMEO-QMMMGPOBSA-N 0 2 317.267 1.880 20 30 DDEDLN CCN(C(=O)c1ccc(CNC(=O)C(F)(F)F)o1)[C@@H](C)C#N ZINC000862221064 705681747 /nfs/dbraw/zinc/68/17/47/705681747.db2.gz QKEZPZDHMABGNH-QMMMGPOBSA-N 0 2 317.267 1.832 20 30 DDEDLN Cc1cc(C#N)cc(C)c1CC(=O)NCCc1n[nH]c(=S)o1 ZINC000907460871 712577932 /nfs/dbraw/zinc/57/79/32/712577932.db2.gz GBOQIAOIVGRATC-UHFFFAOYSA-N 0 2 316.386 1.748 20 30 DDEDLN C=CCC[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C(=O)[O-] ZINC000908846775 712868307 /nfs/dbraw/zinc/86/83/07/712868307.db2.gz VPEZSNDMDGIVTH-ZDUSSCGKSA-N 0 2 320.393 1.481 20 30 DDEDLN COCCCNC(=O)C(C#N)=C([O-])c1cn2ccc(C)cc2[nH+]1 ZINC000916871277 713471233 /nfs/dbraw/zinc/47/12/33/713471233.db2.gz TXJFYKQNZJCHOU-LBPRGKRZSA-N 0 2 314.345 1.118 20 30 DDEDLN Cc1sc(=O)n(CC(=O)[C@@H](C#N)c2cc(C)nc(C)n2)c1C ZINC000920107509 713651813 /nfs/dbraw/zinc/65/18/13/713651813.db2.gz AUZUWYOIKRCHKH-LBPRGKRZSA-N 0 2 316.386 1.810 20 30 DDEDLN Cc1[nH+]c[nH]c1CC(=O)NCC[NH2+]Cc1ccc(C#N)s1 ZINC001149134024 735369924 /nfs/dbraw/zinc/36/99/24/735369924.db2.gz FEDAPONJYAKDDT-UHFFFAOYSA-N 0 2 303.391 1.100 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1[nH]nc(C)c1[O-] ZINC001025220232 736370650 /nfs/dbraw/zinc/37/06/50/736370650.db2.gz CKZBYRSLNLITEL-KBPBESRZSA-N 0 2 316.405 1.516 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1[nH]nc(C)c1[O-] ZINC001025220232 736370652 /nfs/dbraw/zinc/37/06/52/736370652.db2.gz CKZBYRSLNLITEL-KBPBESRZSA-N 0 2 316.405 1.516 20 30 DDEDLN C[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)C(F)C(F)(F)F ZINC001076436636 742734138 /nfs/dbraw/zinc/73/41/38/742734138.db2.gz SODLHASWILQPIF-ONGXEEELSA-N 0 2 324.318 1.947 20 30 DDEDLN C[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)[C@H](F)C(F)(F)F ZINC001076436636 742734140 /nfs/dbraw/zinc/73/41/40/742734140.db2.gz SODLHASWILQPIF-ONGXEEELSA-N 0 2 324.318 1.947 20 30 DDEDLN COc1cc(C#N)cc(NS(=O)(=O)c2cnc(Cl)nc2)c1 ZINC001185049841 744143631 /nfs/dbraw/zinc/14/36/31/744143631.db2.gz GOMZCOYSDLFVPU-UHFFFAOYSA-N 0 2 324.749 1.811 20 30 DDEDLN N#CC1(NC(=O)c2ncn[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC001188698958 744750071 /nfs/dbraw/zinc/75/00/71/744750071.db2.gz GHOBDGLADNYMEA-UHFFFAOYSA-N 0 2 310.361 1.093 20 30 DDEDLN N#CC1(NC(=O)c2nc[nH]n2)CC[NH+](Cc2ccccc2)CC1 ZINC001188698958 744750073 /nfs/dbraw/zinc/75/00/73/744750073.db2.gz GHOBDGLADNYMEA-UHFFFAOYSA-N 0 2 310.361 1.093 20 30 DDEDLN C=CCC1(S(=O)(=O)Nc2nnccc2C(=O)OCC)CC1 ZINC001190773889 745326326 /nfs/dbraw/zinc/32/63/26/745326326.db2.gz SYSZIVKDEXNADM-UHFFFAOYSA-N 0 2 311.363 1.504 20 30 DDEDLN N#CCS(=O)(=O)Nc1nc(Cl)c(Cl)nc1Cl ZINC001192950639 745931327 /nfs/dbraw/zinc/93/13/27/745931327.db2.gz AHJOIRCMYIRCTI-UHFFFAOYSA-N 0 2 301.542 1.702 20 30 DDEDLN N#CCS(=O)(=O)Nc1c(F)cccc1OC[C@H]1CCCO1 ZINC001192985758 745941608 /nfs/dbraw/zinc/94/16/08/745941608.db2.gz MQPWUYHGBZAQGU-SNVBAGLBSA-N 0 2 314.338 1.649 20 30 DDEDLN CC(C)(C)n1ncc(C#N)c1NS(=O)(=O)C[C@@H]1CCCO1 ZINC001193199125 746010330 /nfs/dbraw/zinc/01/03/30/746010330.db2.gz KWCIMTJGUOKMIH-NSHDSACASA-N 0 2 312.395 1.430 20 30 DDEDLN N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1cncc(CO)c1 ZINC001196650676 746922046 /nfs/dbraw/zinc/92/20/46/746922046.db2.gz VVORZLQFMXMJHZ-UHFFFAOYSA-N 0 2 323.761 1.900 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)Cc1ccccn1 ZINC001197820502 747288802 /nfs/dbraw/zinc/28/88/02/747288802.db2.gz CKGOWESZFMPQQD-UHFFFAOYSA-N 0 2 303.343 1.904 20 30 DDEDLN C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1 ZINC001110989764 750284504 /nfs/dbraw/zinc/28/45/04/750284504.db2.gz VLZRZZGZEYAUHO-LSSIXWDNSA-N 0 2 319.409 1.334 20 30 DDEDLN C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001084975644 758114774 /nfs/dbraw/zinc/11/47/74/758114774.db2.gz MTJMNSNIAPQHME-VYDXJSESSA-N 0 2 314.433 1.554 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ncc(C#N)cc1F ZINC001098327302 762944406 /nfs/dbraw/zinc/94/44/06/762944406.db2.gz GIGTXBUNGDYKHR-RCOVLWMOSA-N 0 2 322.237 1.909 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ncc(C#N)cc1F ZINC001098327302 762944412 /nfs/dbraw/zinc/94/44/12/762944412.db2.gz GIGTXBUNGDYKHR-RCOVLWMOSA-N 0 2 322.237 1.909 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1nccnc1C#N ZINC001113934623 766425944 /nfs/dbraw/zinc/42/59/44/766425944.db2.gz OPPKKBXXUODFEX-IONNQARKSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1nccnc1C#N ZINC001113934623 766425951 /nfs/dbraw/zinc/42/59/51/766425951.db2.gz OPPKKBXXUODFEX-IONNQARKSA-N 0 2 319.262 1.190 20 30 DDEDLN C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132072775 768606373 /nfs/dbraw/zinc/60/63/73/768606373.db2.gz OJZNEDUEKKEAPH-RYUDHWBXSA-N 0 2 307.398 1.336 20 30 DDEDLN C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132072775 768606376 /nfs/dbraw/zinc/60/63/76/768606376.db2.gz OJZNEDUEKKEAPH-RYUDHWBXSA-N 0 2 307.398 1.336 20 30 DDEDLN CN(CC#N)CCC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001271772024 844098809 /nfs/dbraw/zinc/09/88/09/844098809.db2.gz HWBMOZJGBCSOGA-LLVKDONJSA-N 0 2 309.307 1.971 20 30 DDEDLN CN(CC#N)CCC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001271772024 844098816 /nfs/dbraw/zinc/09/88/16/844098816.db2.gz HWBMOZJGBCSOGA-LLVKDONJSA-N 0 2 309.307 1.971 20 30 DDEDLN C#CCN1CC[C@@]2(CCN(C(=O)C=C(O)c3ccccc3)C2)C1=O ZINC001271010164 843130989 /nfs/dbraw/zinc/13/09/89/843130989.db2.gz ZMFCXUXUJNMDAI-IBGZPJMESA-N 0 2 324.380 1.344 20 30 DDEDLN C[C@H](C#N)C(=O)NC1(CNC(=O)C(F)C(F)(F)F)CCCC1 ZINC001409469791 845145451 /nfs/dbraw/zinc/14/54/51/845145451.db2.gz ACOHTURAWPVOSA-BDAKNGLRSA-N 0 2 323.290 1.592 20 30 DDEDLN C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H](F)C(F)(F)F)CCCC1 ZINC001409469791 845145455 /nfs/dbraw/zinc/14/54/55/845145455.db2.gz ACOHTURAWPVOSA-BDAKNGLRSA-N 0 2 323.290 1.592 20 30 DDEDLN COc1cc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)cc(OC)c1C ZINC001412890686 855759409 /nfs/dbraw/zinc/75/94/09/855759409.db2.gz CQTJIVNYXGGNRS-UHFFFAOYSA-N 0 2 316.317 1.015 20 30 DDEDLN CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001153399628 863872101 /nfs/dbraw/zinc/87/21/01/863872101.db2.gz DGNLUYSYSFFFFQ-ZIAGYGMSSA-N 0 2 302.422 1.680 20 30 DDEDLN N#Cc1cccc(ONC(=O)[C@H]2C[C@]23C(=O)Nc2ccccc23)c1 ZINC001302374390 871063595 /nfs/dbraw/zinc/06/35/95/871063595.db2.gz XBUITWPIOMEGCN-RDTXWAMCSA-N 0 2 319.320 1.878 20 30 DDEDLN Cn1ccnc1[C@H](C#N)C(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC001346537833 873794692 /nfs/dbraw/zinc/79/46/92/873794692.db2.gz QKBCZPWANYHSTP-NEPJUHHUSA-N 0 2 303.362 1.964 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208955064 874553422 /nfs/dbraw/zinc/55/34/22/874553422.db2.gz ZHLSWUIRPSCGGL-GHMZBOCLSA-N 0 2 307.398 1.049 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208955064 874553429 /nfs/dbraw/zinc/55/34/29/874553429.db2.gz ZHLSWUIRPSCGGL-GHMZBOCLSA-N 0 2 307.398 1.049 20 30 DDEDLN C=CC(C)(C)CC(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001227562058 883082447 /nfs/dbraw/zinc/08/24/47/883082447.db2.gz JGVJFSCMXWWSKV-UHFFFAOYSA-N 0 2 307.398 1.193 20 30 DDEDLN C=CCCCC(=O)N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001352934577 877022718 /nfs/dbraw/zinc/02/27/18/877022718.db2.gz OTZZARNXUBIQKE-MWLCHTKSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCCC(=O)N[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001352934577 877022728 /nfs/dbraw/zinc/02/27/28/877022728.db2.gz OTZZARNXUBIQKE-MWLCHTKSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCC(C)(C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]21 ZINC001221839435 880113678 /nfs/dbraw/zinc/11/36/78/880113678.db2.gz RQJJKEMMKQDZRZ-VXGBXAGGSA-N 0 2 319.409 1.145 20 30 DDEDLN CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1nc(O)cc(=O)[nH]1 ZINC001228388268 883476387 /nfs/dbraw/zinc/47/63/87/883476387.db2.gz GVZWQDDTJBNEHM-VIFPVBQESA-N 0 2 310.382 1.079 20 30 DDEDLN N#Cc1cc(NC(=O)CC2SC(=N)NC2=O)ccc1C1CC1 ZINC001363748019 887130821 /nfs/dbraw/zinc/13/08/21/887130821.db2.gz AWTJQKJFZDBYRA-GFCCVEGCSA-N 0 2 314.370 1.931 20 30 DDEDLN CN(CCNC(=O)C(F)C(F)(F)F)C(=O)CC(F)(F)F ZINC001386931613 892025355 /nfs/dbraw/zinc/02/53/55/892025355.db2.gz ATVVIDLSYNPJEB-LURJTMIESA-N 0 2 312.185 1.414 20 30 DDEDLN CN(CCNC(=O)[C@H](F)C(F)(F)F)C(=O)CC(F)(F)F ZINC001386931613 892025370 /nfs/dbraw/zinc/02/53/70/892025370.db2.gz ATVVIDLSYNPJEB-LURJTMIESA-N 0 2 312.185 1.414 20 30 DDEDLN N#Cc1ccc2[nH]c(-c3nnc([C@H]4CCOC4)o3)cc(=O)c2c1 ZINC001255524020 896985517 /nfs/dbraw/zinc/98/55/17/896985517.db2.gz NINQVNGLWPKTBR-JTQLQIEISA-N 0 2 308.297 1.954 20 30 DDEDLN CC(=O)Nc1cc(NS(=O)(=O)c2ccccc2C#N)ccn1 ZINC001258207787 898105566 /nfs/dbraw/zinc/10/55/66/898105566.db2.gz ABXBYZDAOZFVJY-UHFFFAOYSA-N 0 2 316.342 1.712 20 30 DDEDLN N#Cc1cccc(NS(=O)(=O)c2ccc3c(c2)OCO3)n1 ZINC001259843898 898861934 /nfs/dbraw/zinc/86/19/34/898861934.db2.gz LSDBAYUHRHMUBM-UHFFFAOYSA-N 0 2 303.299 1.483 20 30 DDEDLN C#CC1CCN(c2nnc(-c3c[nH]n(CC)c3=O)n2CC)CC1 ZINC001263060637 900476632 /nfs/dbraw/zinc/47/66/32/900476632.db2.gz SWVVMXGDVFZJBJ-UHFFFAOYSA-N 0 2 314.393 1.737 20 30 DDEDLN CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2[nH]nc(C)c2[O-])C1 ZINC001265387200 901952371 /nfs/dbraw/zinc/95/23/71/901952371.db2.gz VDWMJAPKMQSLSO-ZDUSSCGKSA-N 0 2 304.394 1.231 20 30 DDEDLN CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2[nH]nc(C)c2[O-])C1 ZINC001265387200 901952377 /nfs/dbraw/zinc/95/23/77/901952377.db2.gz VDWMJAPKMQSLSO-ZDUSSCGKSA-N 0 2 304.394 1.231 20 30 DDEDLN C#CCCCC(=O)NC1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001279987099 903476773 /nfs/dbraw/zinc/47/67/73/903476773.db2.gz QYHFNECCAAGPSY-RTYFJBAXSA-N 0 2 322.302 1.701 20 30 DDEDLN C#CCCCC(=O)NC1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001279987099 903476779 /nfs/dbraw/zinc/47/67/79/903476779.db2.gz QYHFNECCAAGPSY-RTYFJBAXSA-N 0 2 322.302 1.701 20 30 DDEDLN C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)C(F)C(F)(F)F ZINC001282341431 905703052 /nfs/dbraw/zinc/70/30/52/905703052.db2.gz XITOLBAMNBBRRZ-UBHAPETDSA-N 0 2 320.286 1.406 20 30 DDEDLN C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)[C@@H](F)C(F)(F)F ZINC001282341431 905703084 /nfs/dbraw/zinc/70/30/84/905703084.db2.gz XITOLBAMNBBRRZ-UBHAPETDSA-N 0 2 320.286 1.406 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001284094472 908467457 /nfs/dbraw/zinc/46/74/57/908467457.db2.gz MFPCMCQEINSHQA-YIZRAAEISA-N 0 2 310.291 1.862 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001284094472 908467463 /nfs/dbraw/zinc/46/74/63/908467463.db2.gz MFPCMCQEINSHQA-YIZRAAEISA-N 0 2 310.291 1.862 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)NC(=O)c1c[nH]c(C#N)c1 ZINC001372907417 908550517 /nfs/dbraw/zinc/55/05/17/908550517.db2.gz MCVNUOMKNOTMBQ-HZGVNTEJSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)NC(=O)c1c[nH]c(C#N)c1 ZINC001372907417 908550528 /nfs/dbraw/zinc/55/05/28/908550528.db2.gz MCVNUOMKNOTMBQ-HZGVNTEJSA-N 0 2 320.246 1.021 20 30 DDEDLN Cc1c(C(=O)NC2=NC(=O)CN2)cnn1-c1ccc(F)cc1 ZINC000050223021 352565294 /nfs/dbraw/zinc/56/52/94/352565294.db2.gz HXCNIUNXMSJFQZ-UHFFFAOYSA-N 0 2 301.281 1.110 20 30 DDEDLN CC[C@@H]1CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CCO1 ZINC000073912916 353277779 /nfs/dbraw/zinc/27/77/79/353277779.db2.gz QMRITKWFEHSXRD-SNVBAGLBSA-N 0 2 307.375 1.632 20 30 DDEDLN COc1cc(NS(=O)(=O)c2ccc(C#N)c(C)c2)nn1C ZINC000314317370 354484702 /nfs/dbraw/zinc/48/47/02/354484702.db2.gz DANRFBUGMGPJRF-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN N#CCCN(CC1CC1)C(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000597140821 357071559 /nfs/dbraw/zinc/07/15/59/357071559.db2.gz FKUCDZQDLIPWIB-UHFFFAOYSA-N 0 2 312.329 1.796 20 30 DDEDLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H](C#N)CO)=N2)c1 ZINC000597738323 357311154 /nfs/dbraw/zinc/31/11/54/357311154.db2.gz PQXHZAZZXGFVEL-LBPRGKRZSA-N 0 2 314.345 1.316 20 30 DDEDLN COCCN(CCC#N)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000610491590 360450977 /nfs/dbraw/zinc/45/09/77/360450977.db2.gz FYDJVPMHPIVETJ-UHFFFAOYSA-N 0 2 320.374 1.383 20 30 DDEDLN C=CCOCCCNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000622171659 365309306 /nfs/dbraw/zinc/30/93/06/365309306.db2.gz QABSQBIZXFZWHI-UHFFFAOYSA-N 0 2 303.318 1.352 20 30 DDEDLN Cc1ccc(C#N)cc1NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000064070683 184292234 /nfs/dbraw/zinc/29/22/34/184292234.db2.gz OOOBBKJTUFCPLX-UHFFFAOYSA-N 0 2 321.296 1.456 20 30 DDEDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000078601420 407035668 /nfs/dbraw/zinc/03/56/68/407035668.db2.gz VKWFKHWBGDUHTL-UHFFFAOYSA-N 0 2 319.342 1.782 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](CCO)C(C)C)cc1C#N ZINC000133182627 407823769 /nfs/dbraw/zinc/82/37/69/407823769.db2.gz KIHHUISAQSSEGE-NSHDSACASA-N 0 2 309.391 1.105 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCO[C@@H](C)[C@@H]2C)cc1C#N ZINC000150907003 408224058 /nfs/dbraw/zinc/22/40/58/408224058.db2.gz IWDNTHKNSIPGJR-IUCAKERBSA-N 0 2 307.375 1.218 20 30 DDEDLN C#C[C@H](NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1)C(C)(C)C ZINC000291669329 408904597 /nfs/dbraw/zinc/90/45/97/408904597.db2.gz GEQUNGOKQLOGDT-JTQLQIEISA-N 0 2 314.345 1.522 20 30 DDEDLN C=C[C@@H](CO)NC(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000356857493 409669030 /nfs/dbraw/zinc/66/90/30/409669030.db2.gz RTYUABURFNKQQS-NSHDSACASA-N 0 2 305.309 1.302 20 30 DDEDLN CC[C@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C(=O)OC ZINC000349760541 409908866 /nfs/dbraw/zinc/90/88/66/409908866.db2.gz YBTPBUHPVIEOEN-VIFPVBQESA-N 0 2 309.347 1.062 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cnn(C)c2Cc2ccccc2)c1C#N ZINC000357156177 409911475 /nfs/dbraw/zinc/91/14/75/409911475.db2.gz HLZPSMDZQBYSFX-UHFFFAOYSA-N 0 2 320.356 2.166 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCC(=O)NC(C)C)cc1C#N ZINC000349845820 409911627 /nfs/dbraw/zinc/91/16/27/409911627.db2.gz JFWFIYKRQNAKRD-UHFFFAOYSA-N 0 2 322.390 1.025 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@H](C)Oc2ccc(F)c(F)c2)c1C#N ZINC000357250358 409952412 /nfs/dbraw/zinc/95/24/12/409952412.db2.gz YQQKDGOQAALUJM-QMMMGPOBSA-N 0 2 306.272 2.274 20 30 DDEDLN COc1cc(C#N)ccc1Cn1cn[n-]c1=[NH+]c1cccnc1 ZINC000346370389 409944977 /nfs/dbraw/zinc/94/49/77/409944977.db2.gz KZNGOVSLFWIAQR-UHFFFAOYSA-N 0 2 306.329 2.345 20 30 DDEDLN COCCc1ccnc(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000351217437 410048454 /nfs/dbraw/zinc/04/84/54/410048454.db2.gz CXKBAQFDRDSQDE-UHFFFAOYSA-N 0 2 318.358 1.338 20 30 DDEDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cc1 ZINC000352855848 410680850 /nfs/dbraw/zinc/68/08/50/410680850.db2.gz BADBVSWNDDOHKT-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cnc2cnccc2c1 ZINC000359725468 410838848 /nfs/dbraw/zinc/83/88/48/410838848.db2.gz OPIUGETUBPBAAA-UHFFFAOYSA-N 0 2 304.313 2.354 20 30 DDEDLN CN=c1[nH]nc(CC(=O)N[C@H](C#N)c2ccccc2F)s1 ZINC000353691317 411110755 /nfs/dbraw/zinc/11/07/55/411110755.db2.gz NUEDINSELRCWJE-SNVBAGLBSA-N 0 2 305.338 1.642 20 30 DDEDLN CN=c1[nH]nc(CC(=O)N[C@H](C#N)c2ccc(Cl)cc2)s1 ZINC000353770604 411126996 /nfs/dbraw/zinc/12/69/96/411126996.db2.gz HCFPHKUDMAZMAK-SNVBAGLBSA-N 0 2 321.793 2.157 20 30 DDEDLN O=C([C@@H](F)C(F)(F)F)N1CCCN(CC(F)(F)F)CC1 ZINC000377630220 418711286 /nfs/dbraw/zinc/71/12/86/418711286.db2.gz WERHHJAELPTFDY-SSDOTTSWSA-N 0 2 310.213 1.983 20 30 DDEDLN O=C(C(F)C(F)(F)F)N1CCCN(CC(F)(F)F)CC1 ZINC000377630220 418711289 /nfs/dbraw/zinc/71/12/89/418711289.db2.gz WERHHJAELPTFDY-SSDOTTSWSA-N 0 2 310.213 1.983 20 30 DDEDLN CNC(=O)C[C@@H]1S/C(=N/c2ccc(Cl)cc2F)NC1=O ZINC000278208509 222515243 /nfs/dbraw/zinc/51/52/43/222515243.db2.gz IAPWQFZSXSXWHV-VIFPVBQESA-N 0 2 315.757 1.834 20 30 DDEDLN C=C[C@H](CO)NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000426849530 419557123 /nfs/dbraw/zinc/55/71/23/419557123.db2.gz VEGGKURERKZDLG-SNVBAGLBSA-N 0 2 307.737 1.508 20 30 DDEDLN CCc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)nc(C)n1 ZINC000427743794 419726182 /nfs/dbraw/zinc/72/61/82/419726182.db2.gz KFLYMUJOSVLPQK-UHFFFAOYSA-N 0 2 317.374 1.723 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cccc(NC(N)=O)c2)s1 ZINC000435434743 303199468 /nfs/dbraw/zinc/19/94/68/303199468.db2.gz UIYLDCOZEKPPEF-UHFFFAOYSA-N 0 2 322.371 1.911 20 30 DDEDLN CC(C)C(=O)Nc1cc(C(=O)[C@@H](C#N)c2ccncn2)ccn1 ZINC000345994858 335368303 /nfs/dbraw/zinc/36/83/03/335368303.db2.gz PHOGRPDCWJSYCM-LBPRGKRZSA-N 0 2 309.329 1.956 20 30 DDEDLN CCc1nc(NS(=O)(=O)Cc2ccc(CC#N)cc2)n[nH]1 ZINC000514939386 337975828 /nfs/dbraw/zinc/97/58/28/337975828.db2.gz RKUAJYNYOYFOAQ-UHFFFAOYSA-N 0 2 305.363 1.375 20 30 DDEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccnn2C)c1 ZINC000340044271 526659315 /nfs/dbraw/zinc/65/93/15/526659315.db2.gz ZQZVFNFTARZVML-UHFFFAOYSA-N 0 2 320.374 1.137 20 30 DDEDLN C=CCC1(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CCOCC1 ZINC000333416431 527042824 /nfs/dbraw/zinc/04/28/24/527042824.db2.gz IFIGXZBWDPCACP-LBPRGKRZSA-N 0 2 320.393 1.589 20 30 DDEDLN CC(C)[N@H+](CC(=O)[O-])CC(=O)N(CCC#N)c1ccccc1 ZINC000820009487 598079915 /nfs/dbraw/zinc/07/99/15/598079915.db2.gz LDYFVSTUHBGQNY-UHFFFAOYSA-N 0 2 303.362 1.728 20 30 DDEDLN CC(C)[N@@H+](CC(=O)[O-])CC(=O)N(CCC#N)c1ccccc1 ZINC000820009487 598079918 /nfs/dbraw/zinc/07/99/18/598079918.db2.gz LDYFVSTUHBGQNY-UHFFFAOYSA-N 0 2 303.362 1.728 20 30 DDEDLN COc1cc2c(nn1)CC[N@@H+]([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC000832111796 601315875 /nfs/dbraw/zinc/31/58/75/601315875.db2.gz KBURYFLHZNGVPC-INIZCTEOSA-N 0 2 324.340 1.541 20 30 DDEDLN COc1cc2c(nn1)CC[N@H+]([C@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC000832111796 601315877 /nfs/dbraw/zinc/31/58/77/601315877.db2.gz KBURYFLHZNGVPC-INIZCTEOSA-N 0 2 324.340 1.541 20 30 DDEDLN C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738614916 604368736 /nfs/dbraw/zinc/36/87/36/604368736.db2.gz CTKPYVKSUONPQJ-VXGBXAGGSA-N 0 2 308.382 1.059 20 30 DDEDLN C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738614916 604368738 /nfs/dbraw/zinc/36/87/38/604368738.db2.gz CTKPYVKSUONPQJ-VXGBXAGGSA-N 0 2 308.382 1.059 20 30 DDEDLN CN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])C1)C1(C#N)CCCCC1 ZINC000739572398 604374230 /nfs/dbraw/zinc/37/42/30/604374230.db2.gz OHEOIAORIIJPJD-GFCCVEGCSA-N 0 2 308.382 1.013 20 30 DDEDLN CN(C(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])C1)C1(C#N)CCCCC1 ZINC000739572398 604374235 /nfs/dbraw/zinc/37/42/35/604374235.db2.gz OHEOIAORIIJPJD-GFCCVEGCSA-N 0 2 308.382 1.013 20 30 DDEDLN C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000123236418 696730006 /nfs/dbraw/zinc/73/00/06/696730006.db2.gz DDALNBQJVKHGKQ-YRGRVCCFSA-N 0 2 303.362 1.907 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1 ZINC000747406928 700068427 /nfs/dbraw/zinc/06/84/27/700068427.db2.gz MNLIQIZRBQXJNM-UHFFFAOYSA-N 0 2 314.729 2.000 20 30 DDEDLN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cn[nH]c2)C1=O ZINC000192738870 697638040 /nfs/dbraw/zinc/63/80/40/697638040.db2.gz MHUBYNHOGRSUCV-HNNXBMFYSA-N 0 2 321.381 1.726 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CNC(=O)C(C)(C)C)nc21 ZINC000750722670 700242981 /nfs/dbraw/zinc/24/29/81/700242981.db2.gz JCFCVOHNVXNEHU-JTQLQIEISA-N 0 2 313.361 1.605 20 30 DDEDLN C[C@H](OC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1cccc(C#N)c1 ZINC000730692689 699514271 /nfs/dbraw/zinc/51/42/71/699514271.db2.gz BZTQWKSFGPOHAU-JTQLQIEISA-N 0 2 323.312 1.247 20 30 DDEDLN N#CC(C(=O)COC[C@@H]1CCCO1)c1nnc2n1CCCCC2 ZINC000733681497 699611158 /nfs/dbraw/zinc/61/11/58/699611158.db2.gz VQYCZZWKLJDDJF-QWHCGFSZSA-N 0 2 318.377 1.376 20 30 DDEDLN CC(=NNCC(N)=O)c1cc(Br)cc(Cl)c1O ZINC000758897058 700728133 /nfs/dbraw/zinc/72/81/33/700728133.db2.gz YTQZBVBQEIWUFG-UHFFFAOYSA-N 0 2 320.574 1.607 20 30 DDEDLN N#CC(C(=O)[C@H]1CCCCN1C(=O)c1ccco1)c1ccncn1 ZINC000760339406 700803259 /nfs/dbraw/zinc/80/32/59/700803259.db2.gz JEUBEDJSNLQDIG-GXTWGEPZSA-N 0 2 324.340 1.941 20 30 DDEDLN C[C@@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770863815 701298096 /nfs/dbraw/zinc/29/80/96/701298096.db2.gz VZCQAZSMVRAQTB-NXEZZACHSA-N 0 2 320.349 1.225 20 30 DDEDLN O=C1[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C[C@@H]2CCCCN12 ZINC000840710440 702216925 /nfs/dbraw/zinc/21/69/25/702216925.db2.gz QMUSDWOLJDDUQE-OYCSBAEMSA-N 0 2 303.318 1.873 20 30 DDEDLN CC(C)(NC(=O)C[C@@H]1SC(=N)NC1=O)c1cccc(C#N)c1 ZINC000855362991 704481067 /nfs/dbraw/zinc/48/10/67/704481067.db2.gz UQSPTVMCEGTMRF-NSHDSACASA-N 0 2 316.386 1.466 20 30 DDEDLN C=C[C@@H](C)ONC(=O)Cc1occ(C)c1C(=O)NO[C@@H](C)C=C ZINC000824233625 705405403 /nfs/dbraw/zinc/40/54/03/705405403.db2.gz WESOULQKLFRJFI-NEPJUHHUSA-N 0 2 322.361 1.989 20 30 DDEDLN C=CCN(Cc1ccc(F)c(F)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000876629663 705791890 /nfs/dbraw/zinc/79/18/90/705791890.db2.gz LLBBTXHCILVASV-NSHDSACASA-N 0 2 317.357 1.846 20 30 DDEDLN CC(C)CCNC(=O)C[C@H]1S/C(=N/CCC2CC2)NC1=O ZINC000864345132 706143364 /nfs/dbraw/zinc/14/33/64/706143364.db2.gz PCOBJYVDOCMMKR-GFCCVEGCSA-N 0 2 311.451 1.927 20 30 DDEDLN COCC1(S(=O)(=O)Nc2ccc(C#N)cc2C(C)=O)CC1 ZINC000882735702 707766906 /nfs/dbraw/zinc/76/69/06/707766906.db2.gz QSQTUYNFKPYADJ-UHFFFAOYSA-N 0 2 308.359 1.682 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C(=O)[O-] ZINC000909718498 709595206 /nfs/dbraw/zinc/59/52/06/709595206.db2.gz PCNPCNYCKOHSHM-LSDHHAIUSA-N 0 2 317.389 1.582 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C(=O)[O-] ZINC000909718498 709595211 /nfs/dbraw/zinc/59/52/11/709595211.db2.gz PCNPCNYCKOHSHM-LSDHHAIUSA-N 0 2 317.389 1.582 20 30 DDEDLN C#CC[C@@H](CO)Nc1c(C(=O)[O-])c[nH+]c2c(OC)cccc12 ZINC000910355305 709907493 /nfs/dbraw/zinc/90/74/93/709907493.db2.gz JCRRAQWNHJNUEH-JTQLQIEISA-N 0 2 300.314 1.738 20 30 DDEDLN C=CCOC[C@H]([NH2+]Cc1nn(CC)c2ccccc12)C(=O)[O-] ZINC000901810325 710153295 /nfs/dbraw/zinc/15/32/95/710153295.db2.gz YUUABJBKSVVKHY-AWEZNQCLSA-N 0 2 303.362 1.802 20 30 DDEDLN COc1ccc(CCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cn1 ZINC000892862780 710514849 /nfs/dbraw/zinc/51/48/49/710514849.db2.gz DOTAZNNZTFHRSQ-LBPRGKRZSA-N 0 2 312.329 1.348 20 30 DDEDLN Cc1cc([C@@H](C#N)C(=O)[C@H](C)NC(=O)C2CCCC2)nc(C)n1 ZINC000916880717 713472194 /nfs/dbraw/zinc/47/21/94/713472194.db2.gz UUIGHRVRLZGXHT-SMDDNHRTSA-N 0 2 314.389 1.965 20 30 DDEDLN C#CC1(F)CN(C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)C1 ZINC000919919227 713641639 /nfs/dbraw/zinc/64/16/39/713641639.db2.gz XRCUXFRPZFBABJ-UHFFFAOYSA-N 0 2 315.304 1.384 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)o1 ZINC000921857432 713887825 /nfs/dbraw/zinc/88/78/25/713887825.db2.gz STLSAMBFSPIBRD-OIBJUYFYSA-N 0 2 324.280 1.397 20 30 DDEDLN CC#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461085 719599704 /nfs/dbraw/zinc/59/97/04/719599704.db2.gz ZYRMFJSTPVMZPD-IAGOWNOFSA-N 0 2 305.466 1.568 20 30 DDEDLN C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224355 733280201 /nfs/dbraw/zinc/28/02/01/733280201.db2.gz FAYBBMMELQYILS-DLBZAZTESA-N 0 2 314.433 1.609 20 30 DDEDLN C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@@H]21 ZINC001087312210 736041856 /nfs/dbraw/zinc/04/18/56/736041856.db2.gz AWIGGGWZSYOTFU-DJIMGWMZSA-N 0 2 314.433 1.201 20 30 DDEDLN C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001027469410 738323736 /nfs/dbraw/zinc/32/37/36/738323736.db2.gz ZRKICYPKNIKCCM-HUUCEWRRSA-N 0 2 300.406 1.002 20 30 DDEDLN CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001087989055 740931454 /nfs/dbraw/zinc/93/14/54/740931454.db2.gz NQILESULGNRBDY-CABCVRRESA-N 0 2 300.406 1.146 20 30 DDEDLN C=CC(C)(C)C(=O)N1CCC2(C[NH+](Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001035767438 751852204 /nfs/dbraw/zinc/85/22/04/751852204.db2.gz PUUGYKNGZUCTJG-UHFFFAOYSA-N 0 2 319.409 1.147 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2nccs2)c(Cl)c1 ZINC001187856956 744620519 /nfs/dbraw/zinc/62/05/19/744620519.db2.gz GPFPNFOGWDMTMF-UHFFFAOYSA-N 0 2 300.752 1.864 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2ccc(C3CC3)cc2)CCC1=O ZINC001190489546 745227872 /nfs/dbraw/zinc/22/78/72/745227872.db2.gz RQUJGMPWFUNKSQ-ZDUSSCGKSA-N 0 2 304.371 1.667 20 30 DDEDLN COCn1cc(NS(=O)(=O)c2cc(C#N)ccc2F)cn1 ZINC001190619472 745260007 /nfs/dbraw/zinc/26/00/07/745260007.db2.gz NRUNOIIAJXJWAY-UHFFFAOYSA-N 0 2 310.310 1.299 20 30 DDEDLN Cc1cnc(NS(=O)(=O)c2cc(C#N)ccc2F)nc1C ZINC001190608126 745271127 /nfs/dbraw/zinc/27/11/27/745271127.db2.gz JQCIJVGKTFQDFK-UHFFFAOYSA-N 0 2 306.322 1.905 20 30 DDEDLN C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)C/C=C/Cl)C1 ZINC001190724970 745307305 /nfs/dbraw/zinc/30/73/05/745307305.db2.gz OIGYCMXLSPENQD-QKNOVVFDSA-N 0 2 309.841 1.369 20 30 DDEDLN C[C@H](C#N)S(=O)(=O)Nc1cnc2cc(C3CCC3)nn2c1 ZINC001193110679 745981741 /nfs/dbraw/zinc/98/17/41/745981741.db2.gz AUAGVJQBRSORAB-SECBINFHSA-N 0 2 305.363 1.651 20 30 DDEDLN CCOC(=O)c1nc(NC(=O)c2cccc(C#N)c2O)cn1C ZINC001193642187 746158632 /nfs/dbraw/zinc/15/86/32/746158632.db2.gz CSUDZUFJHSZJJC-UHFFFAOYSA-N 0 2 314.301 1.426 20 30 DDEDLN CSc1nc(NC(=O)c2ccc(C#N)cc2O)cc(=O)[nH]1 ZINC001195733596 746680128 /nfs/dbraw/zinc/68/01/28/746680128.db2.gz SEJMHQVHYPNMPT-UHFFFAOYSA-N 0 2 302.315 1.734 20 30 DDEDLN COC(=O)c1cncc(S(=O)(=O)Nc2csc(C#N)c2)c1 ZINC001201844068 748618717 /nfs/dbraw/zinc/61/87/17/748618717.db2.gz JSPMQWRDAAAMCW-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN C#CCCCC(=O)N(CC)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001079685840 755524348 /nfs/dbraw/zinc/52/43/48/755524348.db2.gz TVUDZQHHVOWXFK-LBPRGKRZSA-N 0 2 322.302 1.750 20 30 DDEDLN C#CCCCC(=O)N(CC)C1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001079685840 755524351 /nfs/dbraw/zinc/52/43/51/755524351.db2.gz TVUDZQHHVOWXFK-LBPRGKRZSA-N 0 2 322.302 1.750 20 30 DDEDLN C#CCCCC(=O)N1CC(N(CC)C(=O)C(F)C(F)(F)F)C1 ZINC001079901198 755623937 /nfs/dbraw/zinc/62/39/37/755623937.db2.gz IVBQBEXOPOZQGX-GFCCVEGCSA-N 0 2 322.302 1.750 20 30 DDEDLN C#CCCCC(=O)N1CC(N(CC)C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001079901198 755623945 /nfs/dbraw/zinc/62/39/45/755623945.db2.gz IVBQBEXOPOZQGX-GFCCVEGCSA-N 0 2 322.302 1.750 20 30 DDEDLN CCN(C(=O)C(F)C(F)(F)F)C1CN(C(=O)C#CC(C)C)C1 ZINC001079901390 755624838 /nfs/dbraw/zinc/62/48/38/755624838.db2.gz MYORXBGBBVRFRY-LBPRGKRZSA-N 0 2 322.302 1.606 20 30 DDEDLN CCN(C(=O)[C@H](F)C(F)(F)F)C1CN(C(=O)C#CC(C)C)C1 ZINC001079901390 755624840 /nfs/dbraw/zinc/62/48/40/755624840.db2.gz MYORXBGBBVRFRY-LBPRGKRZSA-N 0 2 322.302 1.606 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ncc(C#N)cc1F ZINC001098327299 762944613 /nfs/dbraw/zinc/94/46/13/762944613.db2.gz GIGTXBUNGDYKHR-HZGVNTEJSA-N 0 2 322.237 1.909 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ncc(C#N)cc1F ZINC001098327299 762944618 /nfs/dbraw/zinc/94/46/18/762944618.db2.gz GIGTXBUNGDYKHR-HZGVNTEJSA-N 0 2 322.237 1.909 20 30 DDEDLN C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001109274761 763536976 /nfs/dbraw/zinc/53/69/76/763536976.db2.gz JFSFTOHVSGGPEL-KCJUWKMLSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)[C@H](F)C(F)(F)F ZINC001109274761 763536978 /nfs/dbraw/zinc/53/69/78/763536978.db2.gz JFSFTOHVSGGPEL-KCJUWKMLSA-N 0 2 318.274 1.795 20 30 DDEDLN COC(=O)[C@@H](NC(=O)[C@@H](C#N)Cc1cccs1)C(F)(F)F ZINC001177915513 778782998 /nfs/dbraw/zinc/78/29/98/778782998.db2.gz NSUBOBLJTHVNQU-VXNVDRBHSA-N 0 2 320.292 1.650 20 30 DDEDLN C=C[C@@H](O)C(=O)N(CCC)Cc1nc(=O)c2sccc2[nH]1 ZINC001118552565 781156925 /nfs/dbraw/zinc/15/69/25/781156925.db2.gz SAPRCAADSUNVNB-SNVBAGLBSA-N 0 2 307.375 1.682 20 30 DDEDLN N#Cc1cccc(C[NH2+]C/C=C/CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001268547608 840427785 /nfs/dbraw/zinc/42/77/85/840427785.db2.gz IAZCJBNXPOYUJN-OWOJBTEDSA-N 0 2 323.400 1.676 20 30 DDEDLN N#CC1(C(=O)Nc2cccc3c(=O)cc(-c4nn[nH]n4)oc23)CC1 ZINC001143181115 861402480 /nfs/dbraw/zinc/40/24/80/861402480.db2.gz AMOJDIGQXOKPEX-UHFFFAOYSA-N 0 2 322.284 1.215 20 30 DDEDLN O=C(CC(F)(F)F)NC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001410735294 849699571 /nfs/dbraw/zinc/69/95/71/849699571.db2.gz PBFRZYVCCVURNA-LURJTMIESA-N 0 2 324.196 1.604 20 30 DDEDLN O=C(CC(F)(F)F)NC1(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001410735294 849699577 /nfs/dbraw/zinc/69/95/77/849699577.db2.gz PBFRZYVCCVURNA-LURJTMIESA-N 0 2 324.196 1.604 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2nccc(C)n2)cc1C#N ZINC001411905167 853955766 /nfs/dbraw/zinc/95/57/66/853955766.db2.gz HXDXHPGDJPJDOV-UHFFFAOYSA-N 0 2 301.331 1.732 20 30 DDEDLN C[C@@H](NC(=O)C(=O)C=Cc1ccc(F)cc1)c1nn(C)cc1O ZINC001158308256 864563664 /nfs/dbraw/zinc/56/36/64/864563664.db2.gz VCFCIIIXZDZVKG-VHODGJRUSA-N 0 2 317.320 1.725 20 30 DDEDLN Cc1[nH]c(C#N)cc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC001297652312 870122637 /nfs/dbraw/zinc/12/26/37/870122637.db2.gz NOYAAKBZRHQQAI-UHFFFAOYSA-N 0 2 308.301 1.938 20 30 DDEDLN C#CC1CCN(c2nnc(-c3n[nH]c(Cl)n3)n2CC=C)CC1 ZINC001342413509 872198225 /nfs/dbraw/zinc/19/82/25/872198225.db2.gz FACQDYKCJYIMTD-UHFFFAOYSA-N 0 2 317.784 1.752 20 30 DDEDLN CCOC(=O)C[C@@H](CC#N)Oc1nc2nc[nH]c2c(=S)[nH]1 ZINC001226781292 882648354 /nfs/dbraw/zinc/64/83/54/882648354.db2.gz ZXSZFRGKSSUUOI-SSDOTTSWSA-N 0 2 307.335 1.256 20 30 DDEDLN C=CCCCC(=O)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001352934573 877022568 /nfs/dbraw/zinc/02/25/68/877022568.db2.gz OTZZARNXUBIQKE-GXSJLCMTSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCCC(=O)N[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001352934573 877022581 /nfs/dbraw/zinc/02/25/81/877022581.db2.gz OTZZARNXUBIQKE-GXSJLCMTSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001221603376 879967426 /nfs/dbraw/zinc/96/74/26/879967426.db2.gz GHXGETJEKBHMAN-GDBMZVCRSA-N 0 2 318.421 1.078 20 30 DDEDLN C=CCOCC(COCC=C)Oc1[nH]c(=O)nc2cccnc21 ZINC001228007080 883283720 /nfs/dbraw/zinc/28/37/20/883283720.db2.gz ISMLHNOPXCTLMO-UHFFFAOYSA-N 0 2 317.345 1.883 20 30 DDEDLN C[C@@H](CS)Oc1nc(I)cc(=O)[nH]1 ZINC001228951678 883744436 /nfs/dbraw/zinc/74/44/36/883744436.db2.gz ZORPDCKFGLZCBV-BYPYZUCNSA-N 0 2 312.132 1.484 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cccc2c1CNC2=O ZINC001362642556 884301087 /nfs/dbraw/zinc/30/10/87/884301087.db2.gz FRQULCIPRIIFPX-UHFFFAOYSA-N 0 2 308.297 1.463 20 30 DDEDLN CSc1ccc(OCCn2c(=O)[nH]cc(C#N)c2=O)cc1 ZINC001363759086 887156418 /nfs/dbraw/zinc/15/64/18/887156418.db2.gz HYBLGXJQXYSHGY-UHFFFAOYSA-N 0 2 303.343 1.209 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2csc(Br)c2)c1=O ZINC001364288411 888301580 /nfs/dbraw/zinc/30/15/80/888301580.db2.gz PTLXVIPMGAGIOM-UHFFFAOYSA-N 0 2 312.148 1.281 20 30 DDEDLN C[C@@H](NC(=O)COc1cccc(C#N)c1)c1nn(C)cc1O ZINC001364401493 888550794 /nfs/dbraw/zinc/55/07/94/888550794.db2.gz ZUAGODKXWGFRIG-SNVBAGLBSA-N 0 2 300.318 1.254 20 30 DDEDLN CC[C@H](C)n1nc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)cc1C ZINC001364556492 888919757 /nfs/dbraw/zinc/91/97/57/888919757.db2.gz DRCJKOQMEJOSAB-QMMMGPOBSA-N 0 2 302.338 1.165 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccc2ccccc2c1 ZINC001250735180 894391776 /nfs/dbraw/zinc/39/17/76/894391776.db2.gz CFQKNFIAECYJBU-CQSZACIVSA-N 0 2 318.354 1.573 20 30 DDEDLN COc1cc(C#N)c(F)cc1NS(=O)(=O)c1cccnc1 ZINC001259608522 898738967 /nfs/dbraw/zinc/73/89/67/898738967.db2.gz OLTQJEHFQCGZIJ-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN Cc1nc(C#N)cnc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC001259855106 898869722 /nfs/dbraw/zinc/86/97/22/898869722.db2.gz BNXGZIHGVLXWFA-UHFFFAOYSA-N 0 2 314.370 1.946 20 30 DDEDLN C=C(C)CCC(=O)NC[C@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001285867816 911306686 /nfs/dbraw/zinc/30/66/86/911306686.db2.gz ZKDSPPSCWDAGDI-MWLCHTKSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=C(C)CCC(=O)NC[C@H]1CCN1C(=O)[C@@H](F)C(F)(F)F ZINC001285867816 911306710 /nfs/dbraw/zinc/30/67/10/911306710.db2.gz ZKDSPPSCWDAGDI-MWLCHTKSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCN(C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)[C@H](C)COC ZINC000617577419 363191309 /nfs/dbraw/zinc/19/13/09/363191309.db2.gz OECCVUDFZMCVJS-SECBINFHSA-N 0 2 318.333 1.099 20 30 DDEDLN C=CCN(C(=O)c1cccc(-c2nc(=O)o[nH]2)c1)[C@H](C)COC ZINC000617585370 363193588 /nfs/dbraw/zinc/19/35/88/363193588.db2.gz ZGXINXLDJNRLBG-LLVKDONJSA-N 0 2 317.345 1.693 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)n1 ZINC000589377743 354987320 /nfs/dbraw/zinc/98/73/20/354987320.db2.gz IOPDSNPEEXBMQX-UHFFFAOYSA-N 0 2 307.269 1.549 20 30 DDEDLN N#Cc1cc2cccnc2nc1N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000596226001 356823469 /nfs/dbraw/zinc/82/34/69/356823469.db2.gz MMVZJKSFLZSGPZ-NSHDSACASA-N 0 2 321.344 1.709 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCSC[C@@H]2C)cc1C#N ZINC000610011615 360373157 /nfs/dbraw/zinc/37/31/57/360373157.db2.gz HFWMSBLUUBCADS-QMMMGPOBSA-N 0 2 309.416 1.958 20 30 DDEDLN N#Cc1nc(NC(=O)c2cccc(N3CCCC3=O)c2)[nH]c1C#N ZINC000026270742 248184142 /nfs/dbraw/zinc/18/41/42/248184142.db2.gz SOXKTKXMQFPIIP-UHFFFAOYSA-N 0 2 320.312 1.532 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)CCOCC1CC1 ZINC000424065886 533273895 /nfs/dbraw/zinc/27/38/95/533273895.db2.gz MDGVYJNLIBVFSF-UHFFFAOYSA-N 0 2 310.375 1.735 20 30 DDEDLN COCCCn1ccc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000116160783 407726872 /nfs/dbraw/zinc/72/68/72/407726872.db2.gz SNYKBTKLIHLAFI-UHFFFAOYSA-N 0 2 320.374 1.592 20 30 DDEDLN CCc1nc(NS(=O)(=O)c2cccc(Cl)c2C#N)no1 ZINC000180299609 407875612 /nfs/dbraw/zinc/87/56/12/407875612.db2.gz LDBGKVMYRNPZGW-UHFFFAOYSA-N 0 2 312.738 1.958 20 30 DDEDLN CCc1nn(C)c(CC)c1CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000192038356 408533531 /nfs/dbraw/zinc/53/35/31/408533531.db2.gz BAALIKCHVGDELD-UHFFFAOYSA-N 0 2 311.349 1.193 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1nc(CCC(=O)OC)cs1 ZINC000291950175 408950738 /nfs/dbraw/zinc/95/07/38/408950738.db2.gz ZRXZTMWPQTYKLZ-UHFFFAOYSA-N 0 2 318.420 1.957 20 30 DDEDLN O=C(C[C@H]1S/C(=N/C2CCCC2)NC1=O)NCC(F)(F)F ZINC000278221343 409077236 /nfs/dbraw/zinc/07/72/36/409077236.db2.gz JERQBEKHXSKQHR-MRVPVSSYSA-N 0 2 323.340 1.585 20 30 DDEDLN CN(C)c1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000278627626 409084908 /nfs/dbraw/zinc/08/49/08/409084908.db2.gz HUTXQEGMZORGRH-UHFFFAOYSA-N 0 2 319.390 1.664 20 30 DDEDLN CC[C@H](C[C@@H](C)CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000345063193 409617266 /nfs/dbraw/zinc/61/72/66/409617266.db2.gz ULKLEWZWRUNTDC-MWLCHTKSSA-N 0 2 323.418 1.908 20 30 DDEDLN CN(C)c1ccc(NS(=O)(=O)c2cncc(C#N)c2)nc1 ZINC000357403946 410017020 /nfs/dbraw/zinc/01/70/20/410017020.db2.gz WEYFADMIELLMPK-UHFFFAOYSA-N 0 2 303.347 1.215 20 30 DDEDLN O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000328858885 409995011 /nfs/dbraw/zinc/99/50/11/409995011.db2.gz YLIPIYBWYDRKGQ-HUUCEWRRSA-N 0 2 320.437 1.620 20 30 DDEDLN N#Cc1nc(NC(=O)c2cnc(C3CCCC3)nc2N)[nH]c1C#N ZINC000351295644 410057838 /nfs/dbraw/zinc/05/78/38/410057838.db2.gz CBTBICXQEPTQHQ-UHFFFAOYSA-N 0 2 322.332 1.435 20 30 DDEDLN Cn1c[nH+]cc1CNC(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000329545534 410352975 /nfs/dbraw/zinc/35/29/75/410352975.db2.gz GRTCMERGKAULFS-LBPRGKRZSA-N 0 2 324.450 1.869 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cc2nccnc2cc1F ZINC000359720153 410834679 /nfs/dbraw/zinc/83/46/79/410834679.db2.gz AOGLSSVSMCBHJG-UHFFFAOYSA-N 0 2 322.303 2.493 20 30 DDEDLN C[C@@H](NC(=O)c1ccccc1)C(=O)N=c1[nH][nH]c(C2CC2)c1C#N ZINC000359718732 410836325 /nfs/dbraw/zinc/83/63/25/410836325.db2.gz QPBBDMUHIDOSQG-SNVBAGLBSA-N 0 2 323.356 1.916 20 30 DDEDLN N#Cc1ccnc(NS(=O)(=O)c2cccc3c2OCO3)c1 ZINC000337755041 410985325 /nfs/dbraw/zinc/98/53/25/410985325.db2.gz HLEIDBMMDILVLA-UHFFFAOYSA-N 0 2 303.299 1.483 20 30 DDEDLN CC[C@@H](C#N)NC(=O)C(F)(F)C(F)(F)C(=O)N[C@H](C#N)CC ZINC000266314596 222361479 /nfs/dbraw/zinc/36/14/79/222361479.db2.gz VDGLBACLKBPXFK-YUMQZZPRSA-N 0 2 322.262 1.094 20 30 DDEDLN CCn1cc(-c2n[nH]cc2C(=O)C(C#N)c2ccncn2)cn1 ZINC000426911752 419568159 /nfs/dbraw/zinc/56/81/59/419568159.db2.gz NAPCSSFSQGVTHC-NSHDSACASA-N 0 2 307.317 1.573 20 30 DDEDLN CCn1cc(-c2n[nH]cc2C(=O)[C@@H](C#N)c2ccncn2)cn1 ZINC000426911752 419568164 /nfs/dbraw/zinc/56/81/64/419568164.db2.gz NAPCSSFSQGVTHC-NSHDSACASA-N 0 2 307.317 1.573 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)s1 ZINC000435504185 229392733 /nfs/dbraw/zinc/39/27/33/229392733.db2.gz YPVIDPLDPLRHBU-UHFFFAOYSA-N 0 2 321.383 1.448 20 30 DDEDLN C=CCN(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000430303517 420106077 /nfs/dbraw/zinc/10/60/77/420106077.db2.gz NKNNPYDJSBJLOZ-UHFFFAOYSA-N 0 2 301.350 1.711 20 30 DDEDLN C=CC(C)(C)CNC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000453881470 420767993 /nfs/dbraw/zinc/76/79/93/420767993.db2.gz OURXJMDUTCRZOA-UHFFFAOYSA-N 0 2 310.423 1.524 20 30 DDEDLN COCc1ccc(S(=O)(=O)Nc2ncc(C#N)s2)cc1 ZINC000611373382 422476721 /nfs/dbraw/zinc/47/67/21/422476721.db2.gz NHCCAVKDTVJROO-UHFFFAOYSA-N 0 2 309.372 1.962 20 30 DDEDLN CC#CC[C@@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000649186394 423665229 /nfs/dbraw/zinc/66/52/29/423665229.db2.gz YGCQWYFHQOBLRV-LBPRGKRZSA-N 0 2 317.320 1.221 20 30 DDEDLN CCn1nc(C)cc1NS(=O)(=O)c1ccc(C#N)cc1OC ZINC000530157204 267260818 /nfs/dbraw/zinc/26/08/18/267260818.db2.gz ALHNCIHRCFYYDL-UHFFFAOYSA-N 0 2 320.374 1.893 20 30 DDEDLN CC(C)c1ncc(Cl)c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)n1 ZINC000127459360 281275910 /nfs/dbraw/zinc/27/59/10/281275910.db2.gz MKJYFIREMGHNCK-UHFFFAOYSA-N 0 2 315.724 1.972 20 30 DDEDLN N#C[C@@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)CCN1C1CC1 ZINC000364005464 303161703 /nfs/dbraw/zinc/16/17/03/303161703.db2.gz SKRBAMITQWSKAF-LLVKDONJSA-N 0 2 307.300 1.483 20 30 DDEDLN N#Cc1c(F)cccc1CN1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000568825451 308130921 /nfs/dbraw/zinc/13/09/21/308130921.db2.gz BRISIERHOYNOMN-LLVKDONJSA-N 0 2 301.325 1.901 20 30 DDEDLN C=C[C@](C)(O)CC(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000565374668 333462486 /nfs/dbraw/zinc/46/24/86/333462486.db2.gz VSIWYLPQMRQNIG-HNNXBMFYSA-N 0 2 302.334 1.751 20 30 DDEDLN CSC[C@H](C)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292929638 533775136 /nfs/dbraw/zinc/77/51/36/533775136.db2.gz IOBRIWVPPGIGGF-WCQYABFASA-N 0 2 320.418 1.867 20 30 DDEDLN CCC(=O)N1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330606416 528332164 /nfs/dbraw/zinc/33/21/64/528332164.db2.gz ISJHZKZMRBZBJB-SECBINFHSA-N 0 2 307.306 1.616 20 30 DDEDLN CCN(C[C@H](C)C#N)C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000346589982 528703357 /nfs/dbraw/zinc/70/33/57/528703357.db2.gz DALPEISUUUTNHU-SNVBAGLBSA-N 0 2 300.318 1.652 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000818500362 597082556 /nfs/dbraw/zinc/08/25/56/597082556.db2.gz DUGIAEJMKHZRHA-BBRMVZONSA-N 0 2 316.357 1.959 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000818500362 597082560 /nfs/dbraw/zinc/08/25/60/597082560.db2.gz DUGIAEJMKHZRHA-BBRMVZONSA-N 0 2 316.357 1.959 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736079944 600304942 /nfs/dbraw/zinc/30/49/42/600304942.db2.gz OXLIQABJSSVELS-HNNXBMFYSA-N 0 2 315.373 1.833 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000736079944 600304945 /nfs/dbraw/zinc/30/49/45/600304945.db2.gz OXLIQABJSSVELS-HNNXBMFYSA-N 0 2 315.373 1.833 20 30 DDEDLN N#Cc1ccc([C@@H]([NH2+]CC(=O)NCc2ccccc2)C(=O)[O-])cc1 ZINC000739107054 600594141 /nfs/dbraw/zinc/59/41/41/600594141.db2.gz OTSUHEOYNDNLBI-QGZVFWFLSA-N 0 2 323.352 1.590 20 30 DDEDLN C=C(C)CN(CC)C(=O)CO[NH+]=C(N)c1cccc(C(=O)[O-])c1 ZINC000825642261 601351340 /nfs/dbraw/zinc/35/13/40/601351340.db2.gz LVDLRTYCNHSUIX-UHFFFAOYSA-N 0 2 319.361 1.656 20 30 DDEDLN CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738766678 601977926 /nfs/dbraw/zinc/97/79/26/601977926.db2.gz ROWVKSJIWPWPKH-DOMZBBRYSA-N 0 2 310.398 1.115 20 30 DDEDLN CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738766678 601977927 /nfs/dbraw/zinc/97/79/27/601977927.db2.gz ROWVKSJIWPWPKH-DOMZBBRYSA-N 0 2 310.398 1.115 20 30 DDEDLN C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739175304 603411823 /nfs/dbraw/zinc/41/18/23/603411823.db2.gz KIPHQOFETNTJGV-DDTOSNHZSA-N 0 2 316.361 1.063 20 30 DDEDLN C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739175304 603411824 /nfs/dbraw/zinc/41/18/24/603411824.db2.gz KIPHQOFETNTJGV-DDTOSNHZSA-N 0 2 316.361 1.063 20 30 DDEDLN CC(C)(CNc1[nH+]cnc2c1cnn2CCC#N)NC(=O)[O-] ZINC000824011552 603519289 /nfs/dbraw/zinc/51/92/89/603519289.db2.gz SMIVIYCQZZZFIM-UHFFFAOYSA-N 0 2 303.326 1.198 20 30 DDEDLN C=C[C@H](CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-])c1ccccc1 ZINC000833370661 605077430 /nfs/dbraw/zinc/07/74/30/605077430.db2.gz FWQSEORMKUXHKK-DOMZBBRYSA-N 0 2 313.357 1.882 20 30 DDEDLN C=C[C@H](CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-])c1ccccc1 ZINC000833370661 605077433 /nfs/dbraw/zinc/07/74/33/605077433.db2.gz FWQSEORMKUXHKK-DOMZBBRYSA-N 0 2 313.357 1.882 20 30 DDEDLN CC(C)(C)c1nc(-c2nn[nH]n2)c(N=NCc2c[nH]cn2)o1 ZINC000824141665 607887482 /nfs/dbraw/zinc/88/74/82/607887482.db2.gz LWRNMURXUQJPCY-UHFFFAOYSA-N 0 2 301.314 1.321 20 30 DDEDLN CC(C)NC(=O)CCCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000122644293 696723879 /nfs/dbraw/zinc/72/38/79/696723879.db2.gz CZSMFMUDEWESCQ-LLVKDONJSA-N 0 2 304.350 1.007 20 30 DDEDLN N#Cc1ccccc1C=CC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000798255244 700052476 /nfs/dbraw/zinc/05/24/76/700052476.db2.gz YFGIIGVUEDLXOJ-WAYWQWQTSA-N 0 2 323.356 1.801 20 30 DDEDLN CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000091810626 696591240 /nfs/dbraw/zinc/59/12/40/696591240.db2.gz VRWQQEBVXFFEMV-LBPRGKRZSA-N 0 2 300.355 1.706 20 30 DDEDLN CS(=O)(=O)[N-]C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000091810626 696591242 /nfs/dbraw/zinc/59/12/42/696591242.db2.gz VRWQQEBVXFFEMV-LBPRGKRZSA-N 0 2 300.355 1.706 20 30 DDEDLN Cn1cc2c(n1)CCC[C@H]2C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000798842983 700101049 /nfs/dbraw/zinc/10/10/49/700101049.db2.gz CPFZAJMDFLDUPB-MNOVXSKESA-N 0 2 311.345 1.165 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)Cn3ccccc3=O)nc21 ZINC000750731889 700243722 /nfs/dbraw/zinc/24/37/22/700243722.db2.gz ZHKJAFJBICABFY-NSHDSACASA-N 0 2 307.313 1.305 20 30 DDEDLN CC(=O)[C@@H]1C[C@H](CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1(C)C ZINC000783113272 698807015 /nfs/dbraw/zinc/80/70/15/698807015.db2.gz VSLLOAULJYPMOH-AGIUHOORSA-N 0 2 315.373 1.953 20 30 DDEDLN C#CCn1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000788212104 699291342 /nfs/dbraw/zinc/29/13/42/699291342.db2.gz MCFPHWLNGNJLKW-UHFFFAOYSA-N 0 2 300.274 1.060 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2cc(Cl)ccc2F)cn1 ZINC000790054214 699438073 /nfs/dbraw/zinc/43/80/73/699438073.db2.gz WHJYQUFYCTVJEQ-UHFFFAOYSA-N 0 2 314.729 2.000 20 30 DDEDLN CO[C@@H]1CCC[C@@H](CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000796774019 699951963 /nfs/dbraw/zinc/95/19/63/699951963.db2.gz GJMQQKIJCDXVII-UPJWGTAASA-N 0 2 303.362 1.907 20 30 DDEDLN N#CC(C(=O)Cn1cc(Cl)cn1)c1nnc2n1CCCCC2 ZINC000808978611 701633429 /nfs/dbraw/zinc/63/34/29/701633429.db2.gz MORYOOYQYHYXJS-NSHDSACASA-N 0 2 318.768 1.731 20 30 DDEDLN N#C[C@@H](C(=O)Cn1cc(Cl)cn1)c1nnc2n1CCCCC2 ZINC000808978611 701633431 /nfs/dbraw/zinc/63/34/31/701633431.db2.gz MORYOOYQYHYXJS-NSHDSACASA-N 0 2 318.768 1.731 20 30 DDEDLN C#CCn1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cn1 ZINC000816370958 702075557 /nfs/dbraw/zinc/07/55/57/702075557.db2.gz PBVCHPNNLUCPQD-UHFFFAOYSA-N 0 2 300.274 1.060 20 30 DDEDLN C[C@H](O)CN(C)N=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000841656516 702519723 /nfs/dbraw/zinc/51/97/23/702519723.db2.gz VSSOYXNMHPWNHQ-ZDUSSCGKSA-N 0 2 324.856 1.738 20 30 DDEDLN C[C@H]1CCCc2[nH+]cc(C([O-])=C(C#N)C(=O)c3nccn3C)n21 ZINC000845491622 703163751 /nfs/dbraw/zinc/16/37/51/703163751.db2.gz PBMZXXGTZSIGNV-QWRGUYRKSA-N 0 2 311.345 1.719 20 30 DDEDLN C=C(C)CONC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000846538060 703293236 /nfs/dbraw/zinc/29/32/36/703293236.db2.gz PTXQGQRWRPRWMV-UHFFFAOYSA-N 0 2 319.386 1.943 20 30 DDEDLN CCN(C(=O)c1ccc(CNC(=O)C(F)(F)F)o1)[C@H](C)C#N ZINC000862221061 705681839 /nfs/dbraw/zinc/68/18/39/705681839.db2.gz QKEZPZDHMABGNH-MRVPVSSYSA-N 0 2 317.267 1.832 20 30 DDEDLN CC[C@H]1COCC[N@@H+]1CC/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000871596993 707133185 /nfs/dbraw/zinc/13/31/85/707133185.db2.gz IWDIVPLXYICPFY-ATTDUZETSA-N 0 2 307.350 1.830 20 30 DDEDLN CC[C@H]1COCC[N@H+]1CC/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000871596993 707133189 /nfs/dbraw/zinc/13/31/89/707133189.db2.gz IWDIVPLXYICPFY-ATTDUZETSA-N 0 2 307.350 1.830 20 30 DDEDLN C#CCOc1ccccc1NS(=O)(=O)N=S(C)(C)=O ZINC000901663120 710113234 /nfs/dbraw/zinc/11/32/34/710113234.db2.gz QQUDJVMKBVRVNU-UHFFFAOYSA-N 0 2 302.377 1.083 20 30 DDEDLN Cn1cc(S(=O)(=O)N[C@@H](CC#N)C(F)(F)F)nc1Cl ZINC000901772807 710146368 /nfs/dbraw/zinc/14/63/68/710146368.db2.gz RNUUYESJTVHQCB-YFKPBYRVSA-N 0 2 316.692 1.196 20 30 DDEDLN C#CCCCC(=O)N1CCCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000911306050 710736212 /nfs/dbraw/zinc/73/62/12/710736212.db2.gz RBAYDWLKNMTYQA-UHFFFAOYSA-N 0 2 315.373 1.622 20 30 DDEDLN CCS(=O)(CC)=NS(=O)(=O)NC1(C#N)CCCCC1 ZINC000903102104 711031974 /nfs/dbraw/zinc/03/19/74/711031974.db2.gz SIADMRIKORRGJX-UHFFFAOYSA-N 0 2 307.441 1.555 20 30 DDEDLN C#CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC000948910301 719781412 /nfs/dbraw/zinc/78/14/12/719781412.db2.gz NLZVYPKYPOEZOT-HNNXBMFYSA-N 0 2 324.384 1.386 20 30 DDEDLN C#CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC000948910301 719781414 /nfs/dbraw/zinc/78/14/14/719781414.db2.gz NLZVYPKYPOEZOT-HNNXBMFYSA-N 0 2 324.384 1.386 20 30 DDEDLN CN(CCN(C)c1ccnc(C#N)n1)C(=O)C(F)C(F)(F)F ZINC001105589340 742133234 /nfs/dbraw/zinc/13/32/34/742133234.db2.gz PLVGBRMVBFCKOX-JTQLQIEISA-N 0 2 319.262 1.143 20 30 DDEDLN CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@H](F)C(F)(F)F ZINC001105589340 742133241 /nfs/dbraw/zinc/13/32/41/742133241.db2.gz PLVGBRMVBFCKOX-JTQLQIEISA-N 0 2 319.262 1.143 20 30 DDEDLN COC(=O)c1cc(NS(=O)(=O)c2ccoc2)ccc1C#N ZINC001188614141 744728044 /nfs/dbraw/zinc/72/80/44/744728044.db2.gz JSOPOUAQKULYGS-UHFFFAOYSA-N 0 2 306.299 1.739 20 30 DDEDLN N#Cc1cncc(NS(=O)(=O)Cc2ccc(F)c(F)c2)n1 ZINC001189272969 744867243 /nfs/dbraw/zinc/86/72/43/744867243.db2.gz QSQHJQQSWHFIFY-UHFFFAOYSA-N 0 2 310.285 1.568 20 30 DDEDLN C=CCC1(S(=O)(=O)Nc2nccnc2C(=O)OCC)CC1 ZINC001190773810 745326062 /nfs/dbraw/zinc/32/60/62/745326062.db2.gz REOOXYZDMXMJOJ-UHFFFAOYSA-N 0 2 311.363 1.504 20 30 DDEDLN CCOC(=O)c1ncc(NS(=O)(=O)[C@H](C)C#N)cc1Cl ZINC001193106726 745980322 /nfs/dbraw/zinc/98/03/22/745980322.db2.gz JECVGFNDPNICPV-SSDOTTSWSA-N 0 2 317.754 1.565 20 30 DDEDLN C[C@H](C#N)S(=O)(=O)Nc1cnc2c(C3CCC3)cnn2c1 ZINC001193111445 745982388 /nfs/dbraw/zinc/98/23/88/745982388.db2.gz HPVBRDQJOKGRRP-SECBINFHSA-N 0 2 305.363 1.651 20 30 DDEDLN C[C@@H](C#N)S(=O)(=O)Nc1cc(F)c(S(C)(=O)=O)cc1F ZINC001193160483 746002809 /nfs/dbraw/zinc/00/28/09/746002809.db2.gz DGUUSAUIALCKPE-LURJTMIESA-N 0 2 324.330 1.022 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2ncccc2N2CCOCC2)c1O ZINC001193643131 746160194 /nfs/dbraw/zinc/16/01/94/746160194.db2.gz XDADTLOPHLEQPR-UHFFFAOYSA-N 0 2 324.340 1.748 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2ccc3c(=O)[nH]c(=O)[nH]c3c2)c1O ZINC001193653458 746167345 /nfs/dbraw/zinc/16/73/45/746167345.db2.gz ZHNRXLMMAOXGML-UHFFFAOYSA-N 0 2 322.280 1.871 20 30 DDEDLN Cn1ncc(NS(=O)(=O)Cc2c(F)cccc2F)c1C#N ZINC001197567912 747202109 /nfs/dbraw/zinc/20/21/09/747202109.db2.gz UWKSVMSICCWPRV-UHFFFAOYSA-N 0 2 312.301 1.512 20 30 DDEDLN C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001110964619 750258752 /nfs/dbraw/zinc/25/87/52/750258752.db2.gz SUPWEEMOGAPGIB-UTUOFQBUSA-N 0 2 305.382 1.088 20 30 DDEDLN C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001110964619 750258757 /nfs/dbraw/zinc/25/87/57/750258757.db2.gz SUPWEEMOGAPGIB-UTUOFQBUSA-N 0 2 305.382 1.088 20 30 DDEDLN C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC001084975732 758115161 /nfs/dbraw/zinc/11/51/61/758115161.db2.gz QMRGRHYMESAPQH-OAGGEKHMSA-N 0 2 312.417 1.002 20 30 DDEDLN N#Cc1cccnc1N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001056803825 761443150 /nfs/dbraw/zinc/44/31/50/761443150.db2.gz BOGQIMHDYZAWNW-ZJUUUORDSA-N 0 2 316.258 1.866 20 30 DDEDLN N#Cc1cccnc1N[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001056803825 761443152 /nfs/dbraw/zinc/44/31/52/761443152.db2.gz BOGQIMHDYZAWNW-ZJUUUORDSA-N 0 2 316.258 1.866 20 30 DDEDLN CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1[nH]nc(C)c1[O-] ZINC001049423789 770811785 /nfs/dbraw/zinc/81/17/85/770811785.db2.gz WGOKAUPXXCWMQI-STQMWFEESA-N 0 2 302.378 1.126 20 30 DDEDLN CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1[nH]nc(C)c1[O-] ZINC001049423789 770811796 /nfs/dbraw/zinc/81/17/96/770811796.db2.gz WGOKAUPXXCWMQI-STQMWFEESA-N 0 2 302.378 1.126 20 30 DDEDLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001099742676 775210709 /nfs/dbraw/zinc/21/07/09/775210709.db2.gz WWWDGNDGNZEQSS-GZMMTYOYSA-N 0 2 318.274 1.582 20 30 DDEDLN C[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001099742676 775210730 /nfs/dbraw/zinc/21/07/30/775210730.db2.gz WWWDGNDGNZEQSS-GZMMTYOYSA-N 0 2 318.274 1.582 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1ncccc1C#N ZINC001100747729 776495598 /nfs/dbraw/zinc/49/55/98/776495598.db2.gz AIUSGRBTUVFWTM-JTQLQIEISA-N 0 2 318.274 1.796 20 30 DDEDLN CCN(CCNC(=O)[C@H](F)C(F)(F)F)c1ncccc1C#N ZINC001100747729 776495602 /nfs/dbraw/zinc/49/56/02/776495602.db2.gz AIUSGRBTUVFWTM-JTQLQIEISA-N 0 2 318.274 1.796 20 30 DDEDLN Cc1cc(C#N)nc(NCCCNC(=O)C(F)C(F)(F)F)n1 ZINC001094846541 776501463 /nfs/dbraw/zinc/50/14/63/776501463.db2.gz UYLOEFDXNGSMCA-VIFPVBQESA-N 0 2 319.262 1.475 20 30 DDEDLN Cc1cc(C#N)nc(NCCCNC(=O)[C@H](F)C(F)(F)F)n1 ZINC001094846541 776501468 /nfs/dbraw/zinc/50/14/68/776501468.db2.gz UYLOEFDXNGSMCA-VIFPVBQESA-N 0 2 319.262 1.475 20 30 DDEDLN Cc1cc(NCCN(C)C(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001102003107 777786795 /nfs/dbraw/zinc/78/67/95/777786795.db2.gz KWGRPLQXPREYNP-NSHDSACASA-N 0 2 318.274 1.454 20 30 DDEDLN Cc1cc(NCCN(C)C(=O)[C@H](F)C(F)(F)F)c(C#N)cn1 ZINC001102003107 777786801 /nfs/dbraw/zinc/78/68/01/777786801.db2.gz KWGRPLQXPREYNP-NSHDSACASA-N 0 2 318.274 1.454 20 30 DDEDLN CN(CCNCC(F)(F)C(F)F)C(=O)C(F)C(F)(F)F ZINC001267375316 837941867 /nfs/dbraw/zinc/94/18/67/837941867.db2.gz DMZXOSXQTNQFOT-YFKPBYRVSA-N 0 2 316.192 1.835 20 30 DDEDLN CN(CCNCC(F)(F)C(F)F)C(=O)[C@H](F)C(F)(F)F ZINC001267375316 837941869 /nfs/dbraw/zinc/94/18/69/837941869.db2.gz DMZXOSXQTNQFOT-YFKPBYRVSA-N 0 2 316.192 1.835 20 30 DDEDLN O=C1C=C2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC[C@H]2S1 ZINC001139090482 860278778 /nfs/dbraw/zinc/27/87/78/860278778.db2.gz HXFFEELKYABRFH-CYBMUJFWSA-N 0 2 313.386 1.641 20 30 DDEDLN O=C1C=C2CN(Cc3ccc(-c4nn[nH]n4)cc3)CC[C@H]2S1 ZINC001139090482 860278782 /nfs/dbraw/zinc/27/87/82/860278782.db2.gz HXFFEELKYABRFH-CYBMUJFWSA-N 0 2 313.386 1.641 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=C)Cl)C1CC1 ZINC001323016676 866271700 /nfs/dbraw/zinc/27/17/00/866271700.db2.gz YHQWWABVNHDAMJ-CABCVRRESA-N 0 2 309.841 1.321 20 30 DDEDLN CNC(=O)c1cccc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)c1 ZINC001361610176 882001781 /nfs/dbraw/zinc/00/17/81/882001781.db2.gz DSXKGUMOOOLDHD-UHFFFAOYSA-N 0 2 310.313 1.579 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N(C[C@H](C)O)C1CC1 ZINC001340595310 871219104 /nfs/dbraw/zinc/21/91/04/871219104.db2.gz XWSCIKREXZNPKB-QMMMGPOBSA-N 0 2 323.788 1.252 20 30 DDEDLN C=C[C@@H](CC(=O)OC(C)(C)C)Oc1[nH]c(=O)nc2nccnc21 ZINC001226991376 882764355 /nfs/dbraw/zinc/76/43/55/882764355.db2.gz MQVYUOXMFZMVJV-VIFPVBQESA-N 0 2 318.333 1.791 20 30 DDEDLN C#CCN(CC)c1nnc(-c2c[nH]n(CC)c2=O)n1CC(=C)C ZINC001346670088 873842553 /nfs/dbraw/zinc/84/25/53/873842553.db2.gz DYIXOONHGNJIEA-UHFFFAOYSA-N 0 2 314.393 1.903 20 30 DDEDLN C=CC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)C(=O)[O-] ZINC001350769567 875880736 /nfs/dbraw/zinc/88/07/36/875880736.db2.gz SYLSHHXBWKDOMT-GJZGRUSLSA-N 0 2 317.389 1.582 20 30 DDEDLN C=CC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)C(=O)[O-] ZINC001350769567 875880749 /nfs/dbraw/zinc/88/07/49/875880749.db2.gz SYLSHHXBWKDOMT-GJZGRUSLSA-N 0 2 317.389 1.582 20 30 DDEDLN C#CCCCC(=O)N1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001352852833 876968997 /nfs/dbraw/zinc/96/89/97/876968997.db2.gz DNDRUCRVKZMLMA-KOLCDFICSA-N 0 2 308.275 1.407 20 30 DDEDLN C#CCCCC(=O)N1CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001352852833 876969006 /nfs/dbraw/zinc/96/90/06/876969006.db2.gz DNDRUCRVKZMLMA-KOLCDFICSA-N 0 2 308.275 1.407 20 30 DDEDLN CC(C)OC1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCCCC1 ZINC001364543195 888892823 /nfs/dbraw/zinc/89/28/23/888892823.db2.gz MLHZMBGHRFORLZ-UHFFFAOYSA-N 0 2 320.393 1.485 20 30 DDEDLN CSc1nccc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC001258035448 898029161 /nfs/dbraw/zinc/02/91/61/898029161.db2.gz AREUTEKWIMTKID-UHFFFAOYSA-N 0 2 306.372 1.871 20 30 DDEDLN C=CCCC(=O)N[C@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001299515727 898254065 /nfs/dbraw/zinc/25/40/65/898254065.db2.gz RMPYQFNWXQNWFU-ZYHUDNBSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)N[C@]1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001299515727 898254079 /nfs/dbraw/zinc/25/40/79/898254079.db2.gz RMPYQFNWXQNWFU-ZYHUDNBSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC(OC)CC1 ZINC001262990798 900461362 /nfs/dbraw/zinc/46/13/62/900461362.db2.gz ORISRXRRYOSBEQ-UHFFFAOYSA-N 0 2 323.788 1.518 20 30 DDEDLN Cc1n[nH]c(NC(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000084599035 539169300 /nfs/dbraw/zinc/16/93/00/539169300.db2.gz BLTOTVWHUGVOKC-MRVPVSSYSA-N 0 2 308.363 1.908 20 30 DDEDLN N#C[C@]1(F)CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000615825224 362455050 /nfs/dbraw/zinc/45/50/50/362455050.db2.gz OLFURBAKWMRRDZ-OAHLLOKOSA-N 0 2 300.293 1.656 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(O[C@@H]3CCOC3)cc2)[nH]c1C#N ZINC000279675273 215051586 /nfs/dbraw/zinc/05/15/86/215051586.db2.gz ZJCSPRZYPGFHIZ-GFCCVEGCSA-N 0 2 323.312 1.573 20 30 DDEDLN C#Cc1cccc(NC(=O)CN(C)Cc2ncnn2C(C)C)c1 ZINC000279895278 215215355 /nfs/dbraw/zinc/21/53/55/215215355.db2.gz DJWKYIZVZASYMQ-UHFFFAOYSA-N 0 2 311.389 1.911 20 30 DDEDLN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000030113616 352249795 /nfs/dbraw/zinc/24/97/95/352249795.db2.gz CQTKFISKYYADTO-SECBINFHSA-N 0 2 306.285 1.431 20 30 DDEDLN CC(C)n1cnc(NS(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000593284166 355844338 /nfs/dbraw/zinc/84/43/38/355844338.db2.gz LYYYOSXVQPNUBZ-UHFFFAOYSA-N 0 2 309.326 1.671 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)[nH]c1C#N ZINC000610011253 360373579 /nfs/dbraw/zinc/37/35/79/360373579.db2.gz PLOLKRNFAVJZJK-UHFFFAOYSA-N 0 2 322.259 1.798 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)CC2CC2)cc1C#N ZINC000611508928 360742554 /nfs/dbraw/zinc/74/25/54/360742554.db2.gz UJJKKVLSQZSXJR-SNVBAGLBSA-N 0 2 307.375 1.272 20 30 DDEDLN CC(C)Cc1nnc(NS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000194860780 201301686 /nfs/dbraw/zinc/30/16/86/201301686.db2.gz WYOQBRZSENQAPE-UHFFFAOYSA-N 0 2 306.347 1.941 20 30 DDEDLN C=CCOC[C@@H](NC(=O)c1c(O)cc(F)cc1F)C(=O)OC ZINC000619511802 364045523 /nfs/dbraw/zinc/04/55/23/364045523.db2.gz WCQVGFWUQLGVTK-SNVBAGLBSA-N 0 2 315.272 1.144 20 30 DDEDLN C#CC[C@H](NC(=O)CCc1nc(N(C)C)no1)c1ccccc1 ZINC000275385773 212302930 /nfs/dbraw/zinc/30/29/30/212302930.db2.gz ABBPPWFJUCPCDE-AWEZNQCLSA-N 0 2 312.373 1.949 20 30 DDEDLN N#C[C@H](C(=O)c1cn(C2CC2)nn1)c1nnc2n1CCCCC2 ZINC000626302831 367470046 /nfs/dbraw/zinc/47/00/46/367470046.db2.gz RTHNPQAPWPPDQU-LLVKDONJSA-N 0 2 311.349 1.421 20 30 DDEDLN N#CC(C(=O)c1cn(C2CC2)nn1)c1nnc2n1CCCCC2 ZINC000626302831 367470054 /nfs/dbraw/zinc/47/00/54/367470054.db2.gz RTHNPQAPWPPDQU-LLVKDONJSA-N 0 2 311.349 1.421 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2cccc(C#N)c2)nn1CCC#N ZINC000348908856 223389448 /nfs/dbraw/zinc/38/94/48/223389448.db2.gz PKCFZVKABYHDEM-UHFFFAOYSA-N 0 2 315.358 1.778 20 30 DDEDLN CC(=O)Nc1ccc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000026271578 248184985 /nfs/dbraw/zinc/18/49/85/248184985.db2.gz YHZABLDPWFRJLX-UHFFFAOYSA-N 0 2 308.301 1.293 20 30 DDEDLN CCOc1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000117740648 194842752 /nfs/dbraw/zinc/84/27/52/194842752.db2.gz NIQHTCPKDXCBPR-UHFFFAOYSA-N 0 2 320.374 1.996 20 30 DDEDLN Cn1cc(-c2nc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cs2)cn1 ZINC000052557326 407152615 /nfs/dbraw/zinc/15/26/15/407152615.db2.gz VVWPDWJQENRCMR-UHFFFAOYSA-N 0 2 324.329 1.262 20 30 DDEDLN CCc1nn(C)cc1NS(=O)(=O)c1ccc(C#N)cc1C ZINC000091021880 407174703 /nfs/dbraw/zinc/17/47/03/407174703.db2.gz MFIROUPFNMUHCS-UHFFFAOYSA-N 0 2 304.375 1.963 20 30 DDEDLN Cc1c(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cccc1[N+](=O)[O-] ZINC000159580496 408420339 /nfs/dbraw/zinc/42/03/39/408420339.db2.gz QJNLZDFCQUFOKS-UHFFFAOYSA-N 0 2 310.273 1.551 20 30 DDEDLN N#Cc1ccc(N2CC[C@H](Sc3n[nH]c(=O)[nH]3)C2=O)cc1 ZINC000187635857 163024524 /nfs/dbraw/zinc/02/45/24/163024524.db2.gz OJGOGCDZRAUMEI-JTQLQIEISA-N 0 2 301.331 1.280 20 30 DDEDLN CCOC(=O)c1[nH]c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c1O ZINC000278354322 409079142 /nfs/dbraw/zinc/07/91/42/409079142.db2.gz ZNLBSYCZTONIFD-LBPRGKRZSA-N 0 2 315.329 1.476 20 30 DDEDLN CC1(C)CC[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000408486614 164347440 /nfs/dbraw/zinc/34/74/40/164347440.db2.gz JZMYQFWDDUFCMT-LLVKDONJSA-N 0 2 307.375 1.584 20 30 DDEDLN C[C@@H](C(=O)N=c1ccc(-c2ccccc2)n[nH]1)n1cnc(C#N)n1 ZINC000350048211 409922437 /nfs/dbraw/zinc/92/24/37/409922437.db2.gz LOFUDKDACFFEOL-NSHDSACASA-N 0 2 319.328 1.806 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCCOC(F)F)cc1C#N ZINC000338273844 409862054 /nfs/dbraw/zinc/86/20/54/409862054.db2.gz DTFPPMZPEOADIP-UHFFFAOYSA-N 0 2 317.317 1.740 20 30 DDEDLN COc1cccc(C(=O)N=c2[nH][nH]c(C)c2C#N)c1[N+](=O)[O-] ZINC000357224982 409947901 /nfs/dbraw/zinc/94/79/01/409947901.db2.gz CDXCHTRLDSCVFA-UHFFFAOYSA-N 0 2 301.262 1.759 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cncnc2C)n1 ZINC000354692315 410020953 /nfs/dbraw/zinc/02/09/53/410020953.db2.gz ZUKJNVDGGYCZPJ-VIFPVBQESA-N 0 2 316.342 1.908 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cncnc2C)n1 ZINC000354692315 410020961 /nfs/dbraw/zinc/02/09/61/410020961.db2.gz ZUKJNVDGGYCZPJ-VIFPVBQESA-N 0 2 316.342 1.908 20 30 DDEDLN Cn1ncc(C#N)c1NS(=O)(=O)Cc1c(F)cccc1F ZINC000194715014 222181672 /nfs/dbraw/zinc/18/16/72/222181672.db2.gz BCWCIMPVOSMRGI-UHFFFAOYSA-N 0 2 312.301 1.512 20 30 DDEDLN CC/N=C1/S[C@@H](CC(=O)NCC(F)(F)F)C(=O)N1CC ZINC000195216032 222195284 /nfs/dbraw/zinc/19/52/84/222195284.db2.gz ZXGBWMQSCQVPBL-WMMUWHFISA-N 0 2 311.329 1.395 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@]2(C#N)CC2(C)C)cc1C#N ZINC000427884476 419764358 /nfs/dbraw/zinc/76/43/58/419764358.db2.gz INXMSTSBGAPKLJ-AWEZNQCLSA-N 0 2 302.359 1.803 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2ccnc3ncnn32)ccc1C#N ZINC000446768160 230302703 /nfs/dbraw/zinc/30/27/03/230302703.db2.gz XRKBFFBUSGUHOU-UHFFFAOYSA-N 0 2 314.330 1.105 20 30 DDEDLN N#Cc1ccc(C=CC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000493285649 420807361 /nfs/dbraw/zinc/80/73/61/420807361.db2.gz AENUPNBYPUGYLJ-DANTVBBOSA-N 0 2 323.356 1.801 20 30 DDEDLN COCc1ccccc1S(=O)(=O)Nc1ncc(C#N)s1 ZINC000611512394 422476998 /nfs/dbraw/zinc/47/69/98/422476998.db2.gz MHVWQZDVXQDESS-UHFFFAOYSA-N 0 2 309.372 1.962 20 30 DDEDLN COC(=O)c1nscc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000359493675 266672235 /nfs/dbraw/zinc/67/22/35/266672235.db2.gz QSUSYQBUONKVJK-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN C[C@H](Cn1ncc2ccccc21)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000351297230 267168812 /nfs/dbraw/zinc/16/88/12/267168812.db2.gz FQYNSUXAHDJPQN-SNVBAGLBSA-N 0 2 319.328 1.778 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)o1 ZINC000342593132 268209701 /nfs/dbraw/zinc/20/97/01/268209701.db2.gz WARRSQFJKRXWJF-UHFFFAOYSA-N 0 2 321.240 1.106 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2snnc2C)cc1C#N ZINC000344680517 272087933 /nfs/dbraw/zinc/08/79/33/272087933.db2.gz NTDUQWKLLALXSC-UHFFFAOYSA-N 0 2 321.387 1.471 20 30 DDEDLN N#CC1(NC(=O)C2=NN(c3ccccc3)CC2=O)CCOCC1 ZINC000291940067 303146868 /nfs/dbraw/zinc/14/68/68/303146868.db2.gz NHLDROORBLPELU-UHFFFAOYSA-N 0 2 312.329 1.380 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2cc3n(n2)CCCC3)c1 ZINC000560448376 303813407 /nfs/dbraw/zinc/81/34/07/303813407.db2.gz PVIRUVMUQNAFIW-UHFFFAOYSA-N 0 2 302.359 1.892 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)c1 ZINC000581859432 325923251 /nfs/dbraw/zinc/92/32/51/325923251.db2.gz JCERYZVGFPJBIW-CYBMUJFWSA-N 0 2 318.358 1.934 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)c1 ZINC000582340203 326013884 /nfs/dbraw/zinc/01/38/84/326013884.db2.gz ZNGMRWWPECKFNZ-NSHDSACASA-N 0 2 320.330 1.594 20 30 DDEDLN C=CCCOCCCCC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000582911843 337216671 /nfs/dbraw/zinc/21/66/71/337216671.db2.gz VKIMMFLBJHBQOR-UHFFFAOYSA-N 0 2 322.409 1.979 20 30 DDEDLN Cc1cc(C(O)=C(C#N)C(=O)NC2CC2)c(C)n1[C@@H]1CCOC1 ZINC000528921678 340739303 /nfs/dbraw/zinc/73/93/03/340739303.db2.gz VZOUXWNHEUXCPD-HIFRSBDPSA-N 0 2 315.373 1.667 20 30 DDEDLN Cc1c(C(=O)[C@H](C#N)c2ccncn2)cnn1-c1ccccn1 ZINC000680618342 486244663 /nfs/dbraw/zinc/24/46/63/486244663.db2.gz NTMPKIDQHBOOIY-GFCCVEGCSA-N 0 2 304.313 1.856 20 30 DDEDLN Cc1c(C(=O)C(C#N)c2ccncn2)cnn1-c1ccccn1 ZINC000680618342 486244669 /nfs/dbraw/zinc/24/46/69/486244669.db2.gz NTMPKIDQHBOOIY-GFCCVEGCSA-N 0 2 304.313 1.856 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N(C[C@@H](C)C#N)C2CC2)c1 ZINC000424773728 533807886 /nfs/dbraw/zinc/80/78/86/533807886.db2.gz QGANZZNPWPMFJA-YTEVENLXSA-N 0 2 320.414 1.953 20 30 DDEDLN N#Cc1cccc(CNC(=O)C[N@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000821340633 597435236 /nfs/dbraw/zinc/43/52/36/597435236.db2.gz SCVFZYUFSDGHIH-AWEZNQCLSA-N 0 2 301.346 1.114 20 30 DDEDLN N#Cc1cccc(CNC(=O)C[N@@H+]2CCCC[C@H]2C(=O)[O-])c1 ZINC000821340633 597435239 /nfs/dbraw/zinc/43/52/39/597435239.db2.gz SCVFZYUFSDGHIH-AWEZNQCLSA-N 0 2 301.346 1.114 20 30 DDEDLN C[C@@]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)(C(=O)[O-])C1CC1 ZINC000827741771 601176910 /nfs/dbraw/zinc/17/69/10/601176910.db2.gz RZKNGSDWBLUUOE-INIZCTEOSA-N 0 2 312.329 1.951 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000738459409 602457905 /nfs/dbraw/zinc/45/79/05/602457905.db2.gz AWIKUOMSMLYZDJ-ZDUSSCGKSA-N 0 2 317.345 1.821 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)[O-])c(OC)c1 ZINC000738459409 602457906 /nfs/dbraw/zinc/45/79/06/602457906.db2.gz AWIKUOMSMLYZDJ-ZDUSSCGKSA-N 0 2 317.345 1.821 20 30 DDEDLN CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739404232 602836085 /nfs/dbraw/zinc/83/60/85/602836085.db2.gz PEAOLOKYGNITQK-RWMBFGLXSA-N 0 2 310.398 1.067 20 30 DDEDLN CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739404232 602836088 /nfs/dbraw/zinc/83/60/88/602836088.db2.gz PEAOLOKYGNITQK-RWMBFGLXSA-N 0 2 310.398 1.067 20 30 DDEDLN C=CC1CCN(C(=O)C(C)(C)[NH+]2CCN(C(=O)[O-])CC2)CC1 ZINC000738494594 603177856 /nfs/dbraw/zinc/17/78/56/603177856.db2.gz SVJYXGJWNYRURQ-UHFFFAOYSA-N 0 2 309.410 1.485 20 30 DDEDLN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738633085 604428286 /nfs/dbraw/zinc/42/82/86/604428286.db2.gz VQNPUZMIGIHVBU-GXFFZTMASA-N 0 2 302.334 1.227 20 30 DDEDLN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738633085 604428287 /nfs/dbraw/zinc/42/82/87/604428287.db2.gz VQNPUZMIGIHVBU-GXFFZTMASA-N 0 2 302.334 1.227 20 30 DDEDLN Cn1ccnc1C(=O)C(C#N)=C(O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000123052882 696728186 /nfs/dbraw/zinc/72/81/86/696728186.db2.gz VJOMPYXIHGHURL-QWHCGFSZSA-N 0 2 323.308 1.093 20 30 DDEDLN Cn1ccnc1C(=O)[C@@H](C#N)C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000123052882 696728188 /nfs/dbraw/zinc/72/81/88/696728188.db2.gz VJOMPYXIHGHURL-QWHCGFSZSA-N 0 2 323.308 1.093 20 30 DDEDLN CCCNC(=O)CCCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000119506971 696681627 /nfs/dbraw/zinc/68/16/27/696681627.db2.gz DEKQLOVIPWKQPJ-LLVKDONJSA-N 0 2 304.350 1.008 20 30 DDEDLN C/N=C1/S[C@H](CC(=O)NCCc2ccccc2F)C(=O)N1C ZINC000128588017 696780491 /nfs/dbraw/zinc/78/04/91/696780491.db2.gz NXZBIJFPCXLZGG-OPGVCCBYSA-N 0 2 323.393 1.434 20 30 DDEDLN C#CCC[C@@H](O)CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000799079012 700115422 /nfs/dbraw/zinc/11/54/22/700115422.db2.gz JDAPFTHJLKHZON-CYBMUJFWSA-N 0 2 317.320 1.221 20 30 DDEDLN CC#CCNC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000154412519 696932201 /nfs/dbraw/zinc/93/22/01/696932201.db2.gz ZVAAIRGQQJAJEX-UHFFFAOYSA-N 0 2 301.371 1.458 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@H]1CSCCS1 ZINC000156227427 696959959 /nfs/dbraw/zinc/95/99/59/696959959.db2.gz OBOJZVNKBIKFCQ-UWVGGRQHSA-N 0 2 309.416 1.550 20 30 DDEDLN N#Cc1ccc(N2CCC[C@@H]2C(=O)OCc2n[nH]c(=O)[nH]2)cc1 ZINC000774943505 697945495 /nfs/dbraw/zinc/94/54/95/697945495.db2.gz KMTRUDKFKPZPKA-GFCCVEGCSA-N 0 2 313.317 1.094 20 30 DDEDLN CO[C@@H](C)c1nsc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000788211700 699291319 /nfs/dbraw/zinc/29/13/19/699291319.db2.gz FVFGKDHZEFHHAI-QMMMGPOBSA-N 0 2 324.387 1.918 20 30 DDEDLN COc1nc2sccn2c1C=NNc1cnnc(O)c1Cl ZINC000730568057 699512959 /nfs/dbraw/zinc/51/29/59/699512959.db2.gz BDANZMOAHYZIST-UHFFFAOYSA-N 0 2 324.753 1.999 20 30 DDEDLN COc1cc2c(cc1OC)C(=NNc1ncncc1F)C(=O)N2 ZINC000793199506 699739901 /nfs/dbraw/zinc/73/99/01/699739901.db2.gz QHERQPZNYNKGHH-UHFFFAOYSA-N 0 2 317.280 1.401 20 30 DDEDLN C[C@H](NC(=S)NN=Cc1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000751530648 700297323 /nfs/dbraw/zinc/29/73/23/700297323.db2.gz DKBUEPVSRIYREV-QMMMGPOBSA-N 0 2 308.363 1.897 20 30 DDEDLN COc1ccc(C)cc1CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770872001 701298595 /nfs/dbraw/zinc/29/85/95/701298595.db2.gz QGGGXXRXZKYEDB-ZDUSSCGKSA-N 0 2 311.341 1.871 20 30 DDEDLN COC(=O)CCCONC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000811561712 702006697 /nfs/dbraw/zinc/00/66/97/702006697.db2.gz YIAZBMGJIBUEJM-UHFFFAOYSA-N 0 2 302.330 1.591 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811646280 702020979 /nfs/dbraw/zinc/02/09/79/702020979.db2.gz SVNOGWDLUCHYHC-UHFFFAOYSA-N 0 2 317.349 1.639 20 30 DDEDLN C[C@@H]1CCCc2[nH+]cc(C([O-])=C(C#N)C(=O)N3CCCC3)n21 ZINC000845438842 703156932 /nfs/dbraw/zinc/15/69/32/703156932.db2.gz CQISIKFVQHVTDN-NEPJUHHUSA-N 0 2 300.362 1.725 20 30 DDEDLN Cc1ccn2cnnc2c1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000820799724 704332589 /nfs/dbraw/zinc/33/25/89/704332589.db2.gz CSNQQBQXDGBZFF-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN Cc1cccc(COCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c1 ZINC000857013485 704547238 /nfs/dbraw/zinc/54/72/38/704547238.db2.gz SCYIZBOVKWEWFQ-AWEZNQCLSA-N 0 2 311.341 1.837 20 30 DDEDLN N#CC1(CNC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)CC1 ZINC000861499957 705485573 /nfs/dbraw/zinc/48/55/73/705485573.db2.gz MXEYWSCKNHMQTN-UHFFFAOYSA-N 0 2 315.251 1.492 20 30 DDEDLN C=C(C)C[C@H](NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1)C(=O)[O-] ZINC000910292762 709871484 /nfs/dbraw/zinc/87/14/84/709871484.db2.gz IFQBBNYODPICNV-RDBSUJKOSA-N 0 2 312.410 1.411 20 30 DDEDLN C=C(C)C[C@H](NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1)C(=O)[O-] ZINC000910292762 709871486 /nfs/dbraw/zinc/87/14/86/709871486.db2.gz IFQBBNYODPICNV-RDBSUJKOSA-N 0 2 312.410 1.411 20 30 DDEDLN CC[C@H](CNC(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001103340966 743921132 /nfs/dbraw/zinc/92/11/32/743921132.db2.gz QIDODDHOIQLFJX-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001103340966 743921135 /nfs/dbraw/zinc/92/11/35/743921135.db2.gz QIDODDHOIQLFJX-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN C/C(=C/C(=O)C(F)(F)F)NS(=O)(=O)c1nccs1 ZINC001187917828 744633431 /nfs/dbraw/zinc/63/34/31/744633431.db2.gz KEKDUXQIWZVVPL-PLNGDYQASA-N 0 2 300.283 1.457 20 30 DDEDLN N#Cc1cncc(NS(=O)(=O)Cc2cc(F)ccc2F)n1 ZINC001189649244 744947248 /nfs/dbraw/zinc/94/72/48/744947248.db2.gz NJJIZUBJSNGNNB-UHFFFAOYSA-N 0 2 310.285 1.568 20 30 DDEDLN C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994270242 746556254 /nfs/dbraw/zinc/55/62/54/746556254.db2.gz QMLJCZWUWAXYJI-UKRRQHHQSA-N 0 2 300.406 1.364 20 30 DDEDLN COc1cc(NS(=O)(=O)c2ccc(C)c(C#N)c2)ncn1 ZINC001201292750 748456982 /nfs/dbraw/zinc/45/69/82/748456982.db2.gz KSWPAYHXXAELGM-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085855764 760391981 /nfs/dbraw/zinc/39/19/81/760391981.db2.gz INUIQZUDYVKMMM-IRXDYDNUSA-N 0 2 305.466 1.805 20 30 DDEDLN C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001109274764 763537277 /nfs/dbraw/zinc/53/72/77/763537277.db2.gz JFSFTOHVSGGPEL-LDYMZIIASA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CN(C)c1ccc(C#N)cn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001109274764 763537281 /nfs/dbraw/zinc/53/72/81/763537281.db2.gz JFSFTOHVSGGPEL-LDYMZIIASA-N 0 2 318.274 1.795 20 30 DDEDLN Cc1cc(C#N)nc(N[C@H](C)CNC(=O)C(F)C(F)(F)F)n1 ZINC001098327609 764303179 /nfs/dbraw/zinc/30/31/79/764303179.db2.gz MDFUGUORICMBIP-APPZFPTMSA-N 0 2 319.262 1.474 20 30 DDEDLN Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@H](F)C(F)(F)F)n1 ZINC001098327609 764303189 /nfs/dbraw/zinc/30/31/89/764303189.db2.gz MDFUGUORICMBIP-APPZFPTMSA-N 0 2 319.262 1.474 20 30 DDEDLN N#Cc1cc(C(=O)N[C@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)c[nH]1 ZINC001171139395 772403622 /nfs/dbraw/zinc/40/36/22/772403622.db2.gz MBNBPDRRDOGNDJ-CYBMUJFWSA-N 0 2 322.328 1.424 20 30 DDEDLN C=C(C)[C@H](CC(=O)N(C)CCC1=NC(=O)C(C)C(=O)N1)OCC ZINC001178894760 779213166 /nfs/dbraw/zinc/21/31/66/779213166.db2.gz YIMCAKWULSHZJR-LBPRGKRZSA-N 0 2 323.393 1.568 20 30 DDEDLN C[C@@H]1C[C@@H]1c1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)o1 ZINC001412875289 855746876 /nfs/dbraw/zinc/74/68/76/855746876.db2.gz SOTXCPJFRWAFFI-SCZZXKLOSA-N 0 2 300.318 1.274 20 30 DDEDLN CC(C)C#CC(=O)NC1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001333692582 866943386 /nfs/dbraw/zinc/94/33/86/866943386.db2.gz VVRCQVSNODKOMA-RTYFJBAXSA-N 0 2 322.302 1.557 20 30 DDEDLN CC(C)C#CC(=O)NC1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001333692582 866943396 /nfs/dbraw/zinc/94/33/96/866943396.db2.gz VVRCQVSNODKOMA-RTYFJBAXSA-N 0 2 322.302 1.557 20 30 DDEDLN C=C[C@@H](COC)NC(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC001324043167 867028392 /nfs/dbraw/zinc/02/83/92/867028392.db2.gz RWBDPIKXIGUXHT-LBPRGKRZSA-N 0 2 319.336 1.956 20 30 DDEDLN C=C[C@@H](COC)NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC001324162794 867113570 /nfs/dbraw/zinc/11/35/70/867113570.db2.gz UECZBQFBFCDWHH-VIFPVBQESA-N 0 2 322.390 1.739 20 30 DDEDLN C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001381608792 882310141 /nfs/dbraw/zinc/31/01/41/882310141.db2.gz ZRWFUZQVOQXABB-CYBMUJFWSA-N 0 2 311.389 1.461 20 30 DDEDLN C[C@@H](C#N)C(=O)N[C@H](CNC(=O)c1[nH]ncc1F)C1CCCC1 ZINC001379586125 877453113 /nfs/dbraw/zinc/45/31/13/877453113.db2.gz OOUCSCROELJZMG-JOYOIKCWSA-N 0 2 321.356 1.113 20 30 DDEDLN Cn1c(=O)[nH]c(NCCc2cccc(Cl)c2)c(C#N)c1=O ZINC001363739771 887111072 /nfs/dbraw/zinc/11/10/72/887111072.db2.gz SSTQNKJLAVRANU-UHFFFAOYSA-N 0 2 304.737 1.253 20 30 DDEDLN CC1(C)C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C(C)(C)CO1 ZINC001364352928 888441179 /nfs/dbraw/zinc/44/11/79/888441179.db2.gz PMJPKTLMMIBIQU-UHFFFAOYSA-N 0 2 315.377 1.696 20 30 DDEDLN CC1(C)C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C(C)(C)CO1 ZINC001364352928 888441183 /nfs/dbraw/zinc/44/11/83/888441183.db2.gz PMJPKTLMMIBIQU-UHFFFAOYSA-N 0 2 315.377 1.696 20 30 DDEDLN CCCNc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)cc1 ZINC001364556951 888919723 /nfs/dbraw/zinc/91/97/23/888919723.db2.gz SEKQAGGHKHUBQW-UHFFFAOYSA-N 0 2 313.361 1.379 20 30 DDEDLN Cn1c(=O)[nH]c(NCc2cccc(C(F)F)c2)c(C#N)c1=O ZINC001365223911 890388547 /nfs/dbraw/zinc/38/85/47/890388547.db2.gz TYLTXDMZWUCIOM-UHFFFAOYSA-N 0 2 306.272 1.495 20 30 DDEDLN CC(C)n1nnc(NS(=O)(=O)c2cccc(CC#N)c2)n1 ZINC001365465135 890843732 /nfs/dbraw/zinc/84/37/32/890843732.db2.gz HPRVYSPROLLFGI-UHFFFAOYSA-N 0 2 306.351 1.121 20 30 DDEDLN Cc1cnn2cc(NS(=O)(=O)c3ccc(C#N)cc3)cnc12 ZINC001258039351 898029128 /nfs/dbraw/zinc/02/91/28/898029128.db2.gz PRXZKESTTPHBBU-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN C=CCCC(=O)N1CC[C@@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001299546745 898406980 /nfs/dbraw/zinc/40/69/80/898406980.db2.gz LCELVVRFRUBXQJ-CMPLNLGQSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)N1CC[C@@](C)(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001299546745 898406987 /nfs/dbraw/zinc/40/69/87/898406987.db2.gz LCELVVRFRUBXQJ-CMPLNLGQSA-N 0 2 310.291 1.960 20 30 DDEDLN COC(=O)c1ncccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC001259117865 898475441 /nfs/dbraw/zinc/47/54/41/898475441.db2.gz LYSQSVDUULJPAV-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2cccc(Cl)c2F)cn1 ZINC001259464375 898682202 /nfs/dbraw/zinc/68/22/02/898682202.db2.gz KPRNWKJAHHYFLT-UHFFFAOYSA-N 0 2 312.713 1.942 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cnn(C)c2C#N)cc1C ZINC001260633306 899191376 /nfs/dbraw/zinc/19/13/76/899191376.db2.gz FWXLFTITCXDEJX-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN CN(C(=O)C(F)C(F)(F)F)C1CN(C(=O)CC(F)(F)F)C1 ZINC001394016431 908539640 /nfs/dbraw/zinc/53/96/40/908539640.db2.gz CLICEHCZUCMIOJ-SSDOTTSWSA-N 0 2 324.196 1.508 20 30 DDEDLN CN(C(=O)[C@@H](F)C(F)(F)F)C1CN(C(=O)CC(F)(F)F)C1 ZINC001394016431 908539651 /nfs/dbraw/zinc/53/96/51/908539651.db2.gz CLICEHCZUCMIOJ-SSDOTTSWSA-N 0 2 324.196 1.508 20 30 DDEDLN C#CCCCC(=O)N[C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001295113545 915583044 /nfs/dbraw/zinc/58/30/44/915583044.db2.gz OJJVUJWDSFGDJU-FXPVBKGRSA-N 0 2 308.275 1.454 20 30 DDEDLN C#CCCCC(=O)N[C@H]1C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001295113545 915583058 /nfs/dbraw/zinc/58/30/58/915583058.db2.gz OJJVUJWDSFGDJU-FXPVBKGRSA-N 0 2 308.275 1.454 20 30 DDEDLN CC(C)C#CC(=O)N[C@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001295866568 916091570 /nfs/dbraw/zinc/09/15/70/916091570.db2.gz FKVLRMBJOSPHRR-MWLCHTKSSA-N 0 2 310.291 1.557 20 30 DDEDLN CC(C)C#CC(=O)N[C@H](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001295866568 916091589 /nfs/dbraw/zinc/09/15/89/916091589.db2.gz FKVLRMBJOSPHRR-MWLCHTKSSA-N 0 2 310.291 1.557 20 30 DDEDLN C#CCCCCC(=O)NCCN(C)C(=O)C(F)C(F)(F)F ZINC001296041600 916203698 /nfs/dbraw/zinc/20/36/98/916203698.db2.gz DLBAJSXTNSVGCD-LLVKDONJSA-N 0 2 310.291 1.655 20 30 DDEDLN C#CCCCCC(=O)NCCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001296041600 916203712 /nfs/dbraw/zinc/20/37/12/916203712.db2.gz DLBAJSXTNSVGCD-LLVKDONJSA-N 0 2 310.291 1.655 20 30 DDEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)NCc1ccc(C#N)cc1 ZINC000277219373 213373660 /nfs/dbraw/zinc/37/36/60/213373660.db2.gz LJDXDNFDDLZVPC-UHFFFAOYSA-N 0 2 313.279 1.632 20 30 DDEDLN C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000063466384 352912325 /nfs/dbraw/zinc/91/23/25/352912325.db2.gz RGJVRIZGYNGILH-ZETCQYMHSA-N 0 2 304.310 1.005 20 30 DDEDLN CCc1nn(C)cc1NS(=O)(=O)c1ccc(C#N)cc1F ZINC000091021723 353804465 /nfs/dbraw/zinc/80/44/65/353804465.db2.gz QMDYRPLXSUKIFA-UHFFFAOYSA-N 0 2 308.338 1.794 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)n1 ZINC000589390337 354987345 /nfs/dbraw/zinc/98/73/45/354987345.db2.gz GCOXRWKVQNDNNQ-UHFFFAOYSA-N 0 2 307.269 1.549 20 30 DDEDLN N#CC1(CNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CCCC1 ZINC000593897388 356047048 /nfs/dbraw/zinc/04/70/48/356047048.db2.gz FGUIQOJZEMBRPX-UHFFFAOYSA-N 0 2 312.329 1.844 20 30 DDEDLN CC(C)(C)c1[nH]n(Cc2ncnn2CCF)c(=O)c1CCC#N ZINC000596261524 356836607 /nfs/dbraw/zinc/83/66/07/356836607.db2.gz WJGDRYZVCRQZTP-UHFFFAOYSA-N 0 2 320.372 1.952 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1C#N ZINC000600443739 358222514 /nfs/dbraw/zinc/22/25/14/358222514.db2.gz IIWYTWJFLNXLTD-PEFMBERDSA-N 0 2 321.402 1.922 20 30 DDEDLN C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602334400 358935444 /nfs/dbraw/zinc/93/54/44/358935444.db2.gz RFWZNAJCPJDGRT-FUHWJXTLSA-N 0 2 314.433 1.469 20 30 DDEDLN N#CCc1cccc(S(=O)(=O)Nc2noc(C3CC3)n2)c1 ZINC000619569705 364065215 /nfs/dbraw/zinc/06/52/15/364065215.db2.gz XYURQQUTRRYRKC-UHFFFAOYSA-N 0 2 304.331 1.814 20 30 DDEDLN CC(=O)Nc1ccc(F)c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000053799827 407173853 /nfs/dbraw/zinc/17/38/53/407173853.db2.gz XCJGDILMWJFEAP-UHFFFAOYSA-N 0 2 312.264 1.503 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cc(C)n(CCC#N)n2)cc1 ZINC000271060738 407492874 /nfs/dbraw/zinc/49/28/74/407492874.db2.gz KZLIVDOLRMITNL-UHFFFAOYSA-N 0 2 320.374 1.915 20 30 DDEDLN CN(Cc1cccc(C#N)c1)C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000179418361 407787128 /nfs/dbraw/zinc/78/71/28/407787128.db2.gz JEHWSULHEFJGSG-UHFFFAOYSA-N 0 2 321.340 1.818 20 30 DDEDLN Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)nc(C(F)(F)F)n1 ZINC000188200490 407924088 /nfs/dbraw/zinc/92/40/88/407924088.db2.gz JVUWNTNOZAKHQF-UHFFFAOYSA-N 0 2 321.222 1.523 20 30 DDEDLN Cc1nc(NS(=O)(=O)c2cccc(C#N)c2)ccc1[N+](=O)[O-] ZINC000165250336 162158739 /nfs/dbraw/zinc/15/87/39/162158739.db2.gz FMSMCDPXCZSMQX-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN C#CCONC(=O)CNC(=O)c1ccc(OCCCC)cc1 ZINC000291206647 408862702 /nfs/dbraw/zinc/86/27/02/408862702.db2.gz IADNJXJYVZMBLJ-UHFFFAOYSA-N 0 2 304.346 1.276 20 30 DDEDLN C=CC[C@@H](CO)NC(=O)c1cc(Br)c(F)cc1O ZINC000295982889 409391845 /nfs/dbraw/zinc/39/18/45/409391845.db2.gz LIDUXRZXXYJVHI-ZETCQYMHSA-N 0 2 318.142 1.961 20 30 DDEDLN N#C[C@@H]1CN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CCO1 ZINC000285054066 409393849 /nfs/dbraw/zinc/39/38/49/409393849.db2.gz OGYWJHWMOFUWLA-SNVBAGLBSA-N 0 2 320.732 1.876 20 30 DDEDLN CCn1nccc1NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000338201021 409795957 /nfs/dbraw/zinc/79/59/57/409795957.db2.gz YSJJYFNZEKCHQI-UHFFFAOYSA-N 0 2 303.347 1.849 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1C#N ZINC000357249714 409953875 /nfs/dbraw/zinc/95/38/75/409953875.db2.gz XWZZVDMJRIBMAM-CYBMUJFWSA-N 0 2 304.313 1.782 20 30 DDEDLN CCn1cc(CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)cn1 ZINC000343166915 410203376 /nfs/dbraw/zinc/20/33/76/410203376.db2.gz YLHSVRRXRNXTTA-UHFFFAOYSA-N 0 2 317.374 1.527 20 30 DDEDLN Cn1cc(C#N)cc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000339596737 410316112 /nfs/dbraw/zinc/31/61/12/410316112.db2.gz ORCCGAWTMKOXIS-UHFFFAOYSA-N 0 2 310.342 1.484 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2cn[nH]c2)cc1C#N ZINC000339966249 410583396 /nfs/dbraw/zinc/58/33/96/410583396.db2.gz REPZNHXGWPNCCS-SSDOTTSWSA-N 0 2 303.347 1.595 20 30 DDEDLN N#C[C@H](C(=O)c1cn([C@@H]2CCOC2)nn1)c1nc2ccccc2[nH]1 ZINC000361193276 418602346 /nfs/dbraw/zinc/60/23/46/418602346.db2.gz BSEKJORZBURKHL-GHMZBOCLSA-N 0 2 322.328 1.606 20 30 DDEDLN Cc1cc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])nn1-c1cccc(C#N)c1 ZINC000372473143 418875281 /nfs/dbraw/zinc/87/52/81/418875281.db2.gz MSNNXLQRZIJACP-STQMWFEESA-N 0 2 311.301 1.656 20 30 DDEDLN Cc1nn(C)c(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1C ZINC000427756266 419728377 /nfs/dbraw/zinc/72/83/77/419728377.db2.gz GOLXUVAGDAAXMC-UHFFFAOYSA-N 0 2 305.363 1.413 20 30 DDEDLN C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2[nH+]ccn2CC)CC1 ZINC000493151238 420770680 /nfs/dbraw/zinc/77/06/80/420770680.db2.gz JLSDONUIHAENSU-AATRIKPKSA-N 0 2 309.391 1.471 20 30 DDEDLN CCC[C@H](C#N)NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000524816629 421274451 /nfs/dbraw/zinc/27/44/51/421274451.db2.gz WCSNGGHDMSPEBQ-MRVPVSSYSA-N 0 2 301.306 1.167 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCOCC2CCC2)cc1C#N ZINC000571254632 421700699 /nfs/dbraw/zinc/70/06/99/421700699.db2.gz ATKWXJDXAVKFGQ-UHFFFAOYSA-N 0 2 321.402 1.927 20 30 DDEDLN C=CC[C@H]1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000627734740 421864370 /nfs/dbraw/zinc/86/43/70/421864370.db2.gz BCYUCEJZCUPDFQ-JTQLQIEISA-N 0 2 322.434 1.621 20 30 DDEDLN CCN(C(=O)c1cc(C#N)c(SC)[nH]c1=O)[C@@H]1CCOC1 ZINC000361211988 266097548 /nfs/dbraw/zinc/09/75/48/266097548.db2.gz RVNYJHQOEHDHRR-SNVBAGLBSA-N 0 2 307.375 1.632 20 30 DDEDLN CCn1cc(S(=O)(=O)Nc2ccc(COC)c(C#N)c2)cn1 ZINC000530144093 267252492 /nfs/dbraw/zinc/25/24/92/267252492.db2.gz CDMMWWIUHDKKBQ-UHFFFAOYSA-N 0 2 320.374 1.722 20 30 DDEDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCSC[C@H]1C#N ZINC000279690140 280291602 /nfs/dbraw/zinc/29/16/02/280291602.db2.gz IHWGZJBHYPXPTE-BDAKNGLRSA-N 0 2 323.340 1.157 20 30 DDEDLN CN1C(=O)CCc2cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)ccc21 ZINC000089485641 289811828 /nfs/dbraw/zinc/81/18/28/289811828.db2.gz NWFXNHVVFVYZDC-UHFFFAOYSA-N 0 2 320.312 1.314 20 30 DDEDLN N#CC1(NC(=O)c2ccc([N+](=O)[O-])cc2O)CCSCC1 ZINC000185604588 303147054 /nfs/dbraw/zinc/14/70/54/303147054.db2.gz MSGBHULGHINLSE-UHFFFAOYSA-N 0 2 307.331 1.820 20 30 DDEDLN Cc1cnn(-c2c(C(=O)C(C#N)c3ccncn3)c(C)nn2C)c1 ZINC000548631547 341267953 /nfs/dbraw/zinc/26/79/53/341267953.db2.gz PITYVYGFDOKCRZ-LBPRGKRZSA-N 0 2 321.344 1.503 20 30 DDEDLN CCn1cccc(C/N=C(/O)c2cc3n(n2)CCCO3)c1=O ZINC000329885442 529176631 /nfs/dbraw/zinc/17/66/31/529176631.db2.gz URHNKQIRCYXLQP-UHFFFAOYSA-N 0 2 302.334 1.352 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+](C)C[C@@H](C)C#N ZINC000737863064 599754432 /nfs/dbraw/zinc/75/44/32/599754432.db2.gz BBFPWOLZJRMTDM-AAEUAGOBSA-N 0 2 322.361 1.225 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+](C)C[C@@H](C)C#N ZINC000737863064 599754434 /nfs/dbraw/zinc/75/44/34/599754434.db2.gz BBFPWOLZJRMTDM-AAEUAGOBSA-N 0 2 322.361 1.225 20 30 DDEDLN C[C@](C#N)(NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000736201566 599785963 /nfs/dbraw/zinc/78/59/63/599785963.db2.gz IPCMTADFIHGENN-GDBMZVCRSA-N 0 2 301.346 1.210 20 30 DDEDLN COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000831083687 601322606 /nfs/dbraw/zinc/32/26/06/601322606.db2.gz AOXSQBLEIDQDGJ-KBPBESRZSA-N 0 2 302.330 1.569 20 30 DDEDLN COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000831083687 601322608 /nfs/dbraw/zinc/32/26/08/601322608.db2.gz AOXSQBLEIDQDGJ-KBPBESRZSA-N 0 2 302.330 1.569 20 30 DDEDLN CNC(=O)CC1SC(=Nc2ccsc2)N(CCF)C1=O ZINC000797818027 700025206 /nfs/dbraw/zinc/02/52/06/700025206.db2.gz MCYRDIQXGFTMNF-VIFPVBQESA-N 0 2 315.395 1.785 20 30 DDEDLN CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCF)C1=O ZINC000797818027 700025209 /nfs/dbraw/zinc/02/52/09/700025209.db2.gz MCYRDIQXGFTMNF-VIFPVBQESA-N 0 2 315.395 1.785 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cn1ncc2ccccc21 ZINC000123342066 696730925 /nfs/dbraw/zinc/73/09/25/696730925.db2.gz SFWWTRHRQPWKRY-GFCCVEGCSA-N 0 2 307.313 1.362 20 30 DDEDLN COC(=O)[C@@H]1CCC[C@H](C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000245903703 698340297 /nfs/dbraw/zinc/34/02/97/698340297.db2.gz AKHJROQOEAZMHV-QJPTWQEYSA-N 0 2 317.345 1.291 20 30 DDEDLN CC[C@@H]1C[C@H](CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CCO1 ZINC000781826148 698652437 /nfs/dbraw/zinc/65/24/37/698652437.db2.gz WTUNOTAOBPKHGG-JHJVBQTASA-N 0 2 303.362 1.907 20 30 DDEDLN COc1nccnc1NN=C1C(=O)Nc2ccc(Cl)cc21 ZINC000763425759 700937648 /nfs/dbraw/zinc/93/76/48/700937648.db2.gz NULOHCCSOYKKOD-UHFFFAOYSA-N 0 2 303.709 1.907 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N/CCS(=O)(=O)CC2CC2)c1 ZINC000764412359 700969715 /nfs/dbraw/zinc/96/97/15/700969715.db2.gz BLBSYDAMNBORKC-RIYZIHGNSA-N 0 2 312.347 1.544 20 30 DDEDLN CC(C)(C(=O)OCc1n[nH]c(=O)[nH]1)c1cc(F)cc(C#N)c1 ZINC000803924005 701156066 /nfs/dbraw/zinc/15/60/66/701156066.db2.gz HKZLJQAXAUXPQC-UHFFFAOYSA-N 0 2 304.281 1.542 20 30 DDEDLN CC(=NNc1ccc(S(N)(=O)=O)cc1)c1sccc1O ZINC000769766063 701255264 /nfs/dbraw/zinc/25/52/64/701255264.db2.gz JGKGGLPBIXKANM-UHFFFAOYSA-N 0 2 311.388 1.937 20 30 DDEDLN CC(N=Nc1nc2c(cnn2C)c(=O)[nH]1)C1SC=CC1=O ZINC000769779557 701255426 /nfs/dbraw/zinc/25/54/26/701255426.db2.gz MQEOPLHJFRMWBC-UHFFFAOYSA-N 0 2 304.335 1.672 20 30 DDEDLN C[C@@H](NC(=O)C1CCCC1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770866579 701298406 /nfs/dbraw/zinc/29/84/06/701298406.db2.gz UUCUJZDDICYKPB-ZYHUDNBSSA-N 0 2 316.361 1.007 20 30 DDEDLN Cc1cc(C)n([C@H](C)CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)n1 ZINC000770875563 701298787 /nfs/dbraw/zinc/29/87/87/701298787.db2.gz BYNBAKCTQRWPTM-OLZOCXBDSA-N 0 2 313.361 1.776 20 30 DDEDLN N#CC(C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)c1ccncn1 ZINC000816019278 701992722 /nfs/dbraw/zinc/99/27/22/701992722.db2.gz FXNCJBLPPLGISO-SCZZXKLOSA-N 0 2 312.251 1.206 20 30 DDEDLN C#CCn1ccc(CN(CCOC)c2[nH+]cccc2C(=O)[O-])n1 ZINC000843036540 702806459 /nfs/dbraw/zinc/80/64/59/702806459.db2.gz PJEINTYREYGSFG-UHFFFAOYSA-N 0 2 314.345 1.263 20 30 DDEDLN N#CC(C(=O)NC1CCCC1)=C([O-])c1[nH+]cc2n1CCCC2 ZINC000870157969 703937646 /nfs/dbraw/zinc/93/76/46/703937646.db2.gz VRJNGWXNMWXUDD-CYBMUJFWSA-N 0 2 300.362 1.601 20 30 DDEDLN C#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCOCC1 ZINC000856106236 704514132 /nfs/dbraw/zinc/51/41/32/704514132.db2.gz ODFAMHIXNIRYDZ-CYBMUJFWSA-N 0 2 304.302 1.459 20 30 DDEDLN C=CCC(F)(F)C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 ZINC000830796271 706581548 /nfs/dbraw/zinc/58/15/48/706581548.db2.gz ZBNJCFQEHFZNNW-SNVBAGLBSA-N 0 2 314.254 1.867 20 30 DDEDLN C=CCONC(=O)CSc1nnc(-c2cccs2)n1C ZINC000837046420 707571197 /nfs/dbraw/zinc/57/11/97/707571197.db2.gz IIRUJZQBKSZCKX-UHFFFAOYSA-N 0 2 310.404 1.870 20 30 DDEDLN C=C(C)C[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(=O)[O-] ZINC000910293159 709871493 /nfs/dbraw/zinc/87/14/93/709871493.db2.gz UXLLUJLSODYQIG-QWHCGFSZSA-N 0 2 306.366 1.326 20 30 DDEDLN C=C(C)C[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(=O)[O-] ZINC000910293159 709871494 /nfs/dbraw/zinc/87/14/94/709871494.db2.gz UXLLUJLSODYQIG-QWHCGFSZSA-N 0 2 306.366 1.326 20 30 DDEDLN C=CCCC[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(=O)[O-] ZINC000910924298 710120896 /nfs/dbraw/zinc/12/08/96/710120896.db2.gz ZIGSPQQHJJQZSX-CABCVRRESA-N 0 2 324.421 1.556 20 30 DDEDLN C=CCCC[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(=O)[O-] ZINC000910924298 710120898 /nfs/dbraw/zinc/12/08/98/710120898.db2.gz ZIGSPQQHJJQZSX-CABCVRRESA-N 0 2 324.421 1.556 20 30 DDEDLN C=CCCC[C@@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)C(=O)[O-] ZINC000910925975 710122302 /nfs/dbraw/zinc/12/23/02/710122302.db2.gz PFNNYJMDSWHRLI-YBEMTRGBSA-N 0 2 310.394 1.191 20 30 DDEDLN N#Cc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457818 735248050 /nfs/dbraw/zinc/24/80/50/735248050.db2.gz ZLSGQYKABAQRKV-CYBMUJFWSA-N 0 2 324.388 1.318 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1ncccc1C#N ZINC001100747730 736759063 /nfs/dbraw/zinc/75/90/63/736759063.db2.gz AIUSGRBTUVFWTM-SNVBAGLBSA-N 0 2 318.274 1.796 20 30 DDEDLN CCN(CCNC(=O)[C@@H](F)C(F)(F)F)c1ncccc1C#N ZINC001100747730 736759066 /nfs/dbraw/zinc/75/90/66/736759066.db2.gz AIUSGRBTUVFWTM-SNVBAGLBSA-N 0 2 318.274 1.796 20 30 DDEDLN C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001076242539 742622262 /nfs/dbraw/zinc/62/22/62/742622262.db2.gz IWCDBWJIZMJEMG-AEGPPILISA-N 0 2 311.857 1.613 20 30 DDEDLN COC(=O)c1cc(C#N)cc(NC(=O)C(CO)C(F)(F)F)c1 ZINC001183286355 743820501 /nfs/dbraw/zinc/82/05/01/743820501.db2.gz XRUJXABKQZWKSW-JTQLQIEISA-N 0 2 316.235 1.454 20 30 DDEDLN COC(=O)c1cc(C#N)cc(NC(=O)[C@H](CO)C(F)(F)F)c1 ZINC001183286355 743820506 /nfs/dbraw/zinc/82/05/06/743820506.db2.gz XRUJXABKQZWKSW-JTQLQIEISA-N 0 2 316.235 1.454 20 30 DDEDLN N#Cc1ccc(F)c(S(=O)(=O)Nc2ccc(CO)cc2)c1 ZINC001190648359 745285028 /nfs/dbraw/zinc/28/50/28/745285028.db2.gz MNLMRSKTRPHFPW-UHFFFAOYSA-N 0 2 306.318 1.990 20 30 DDEDLN C=CCOC(=O)Nc1cc(S(=O)(=O)C(N)=O)ccc1O ZINC001194329435 746357787 /nfs/dbraw/zinc/35/77/87/746357787.db2.gz GDYMYBGHJJJJND-UHFFFAOYSA-N 0 2 300.292 1.393 20 30 DDEDLN COc1ncccc1S(=O)(=O)Nc1ccc(F)c(C#N)c1 ZINC001194705104 746430082 /nfs/dbraw/zinc/43/00/82/746430082.db2.gz AHSPNVMWRIIVAT-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN C=CC[C@H](NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1)C(=O)[O-] ZINC001119580251 757872062 /nfs/dbraw/zinc/87/20/62/757872062.db2.gz JTADSBHUXLCVHV-KBPBESRZSA-N 0 2 312.410 1.269 20 30 DDEDLN C=CC[C@@H](NC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1)C(=O)[O-] ZINC001119580252 757872252 /nfs/dbraw/zinc/87/22/52/757872252.db2.gz JTADSBHUXLCVHV-KGLIPLIRSA-N 0 2 312.410 1.269 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ncccc1C#N ZINC001098327711 764299915 /nfs/dbraw/zinc/29/99/15/764299915.db2.gz NGFPMEWLTVIRNY-APPZFPTMSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ncccc1C#N ZINC001098327711 764299920 /nfs/dbraw/zinc/29/99/20/764299920.db2.gz NGFPMEWLTVIRNY-APPZFPTMSA-N 0 2 304.247 1.770 20 30 DDEDLN C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132257004 768714437 /nfs/dbraw/zinc/71/44/37/768714437.db2.gz SDYCTYJTNWBBQL-NEPJUHHUSA-N 0 2 307.398 1.336 20 30 DDEDLN C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132257004 768714442 /nfs/dbraw/zinc/71/44/42/768714442.db2.gz SDYCTYJTNWBBQL-NEPJUHHUSA-N 0 2 307.398 1.336 20 30 DDEDLN C=CCCC(=O)N[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001070840582 768751265 /nfs/dbraw/zinc/75/12/65/768751265.db2.gz FRGRYWFDVCGURR-MWLCHTKSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001070840582 768751269 /nfs/dbraw/zinc/75/12/69/768751269.db2.gz FRGRYWFDVCGURR-MWLCHTKSSA-N 0 2 310.291 1.960 20 30 DDEDLN C#CCCCC(=O)N[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001070840892 768751791 /nfs/dbraw/zinc/75/17/91/768751791.db2.gz KZZMRAXJOUMISM-PWSUYJOCSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001070840892 768751798 /nfs/dbraw/zinc/75/17/98/768751798.db2.gz KZZMRAXJOUMISM-PWSUYJOCSA-N 0 2 322.302 1.798 20 30 DDEDLN N#Cc1nccnc1NCCCNC(=O)C(F)C(F)(F)F ZINC001094846134 776499387 /nfs/dbraw/zinc/49/93/87/776499387.db2.gz MRURXQKWQVDIQM-MRVPVSSYSA-N 0 2 305.235 1.167 20 30 DDEDLN N#Cc1nccnc1NCCCNC(=O)[C@@H](F)C(F)(F)F ZINC001094846134 776499389 /nfs/dbraw/zinc/49/93/89/776499389.db2.gz MRURXQKWQVDIQM-MRVPVSSYSA-N 0 2 305.235 1.167 20 30 DDEDLN NC(=O)C12CC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)(C1)C2 ZINC001270006756 842220225 /nfs/dbraw/zinc/22/02/25/842220225.db2.gz GDJNFWOYPFATFJ-UHFFFAOYSA-N 0 2 322.180 1.344 20 30 DDEDLN C[C@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1nn(C)cc1O ZINC001412753389 855106062 /nfs/dbraw/zinc/10/60/62/855106062.db2.gz JMPBRXKAZDYTIC-NSHDSACASA-N 0 2 310.357 1.906 20 30 DDEDLN C=C[C@@H]1O[C@H](Oc2[nH]c(=O)cc(C)c2C#N)[C@H]2OC(C)(C)O[C@@H]12 ZINC001226223320 882288552 /nfs/dbraw/zinc/28/85/52/882288552.db2.gz NXRQSIUVMMTHPH-GZCFXPHUSA-N 0 2 318.329 1.777 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2ncc(-c3cccs3)o2)c1=O ZINC001307359834 871426125 /nfs/dbraw/zinc/42/61/25/871426125.db2.gz VPBBGVSZOVNJNP-UHFFFAOYSA-N 0 2 300.299 1.173 20 30 DDEDLN N#C[C@H](C(=O)[C@H]1CCCN(C2CC2)C1=O)c1cccc(F)n1 ZINC001342958838 872451744 /nfs/dbraw/zinc/45/17/44/872451744.db2.gz KMRNOERTRXQWJP-NEPJUHHUSA-N 0 2 301.321 1.798 20 30 DDEDLN CCOC(=O)c1ccc(C(=O)[C@H](C#N)c2nccn2CC)nc1 ZINC001344874673 873157355 /nfs/dbraw/zinc/15/73/55/873157355.db2.gz DPWSLXCWRHLADE-LBPRGKRZSA-N 0 2 312.329 1.965 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2ccc(Br)s2)c1=O ZINC001364615635 889040262 /nfs/dbraw/zinc/04/02/62/889040262.db2.gz KPARLZDNMHRITE-UHFFFAOYSA-N 0 2 312.148 1.281 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC(C)(CNC(=O)c2[nH]ncc2F)CC1 ZINC001379992386 878495728 /nfs/dbraw/zinc/49/57/28/878495728.db2.gz WIGHWUIQDMTSAQ-JTQLQIEISA-N 0 2 321.356 1.067 20 30 DDEDLN CC(C)C#CC(=O)N(C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001358728927 880818607 /nfs/dbraw/zinc/81/86/07/880818607.db2.gz DRWCFJCLBUEDRT-NSHDSACASA-N 0 2 308.275 1.215 20 30 DDEDLN CC(C)C#CC(=O)N(C)C1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001358728927 880818619 /nfs/dbraw/zinc/81/86/19/880818619.db2.gz DRWCFJCLBUEDRT-NSHDSACASA-N 0 2 308.275 1.215 20 30 DDEDLN COc1ccc2[nH]c(=O)nc(OC3=C(C)O[C@@H](C)C3=O)c2c1 ZINC001230853386 884963781 /nfs/dbraw/zinc/96/37/81/884963781.db2.gz JKHRRWJLIMXRAG-ZETCQYMHSA-N 0 2 302.286 1.942 20 30 DDEDLN COC[C@H]1Cn2ccnc2C[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233385078 886966021 /nfs/dbraw/zinc/96/60/21/886966021.db2.gz UCWCMMQNMLBLST-CQSZACIVSA-N 0 2 312.373 1.739 20 30 DDEDLN C#C[C@@H](Oc1cc(O)cc2oc(C)cc(=O)c12)C(=O)OCC ZINC001234818320 888207492 /nfs/dbraw/zinc/20/74/92/888207492.db2.gz JKUVYRNEWRHCGK-GFCCVEGCSA-N 0 2 302.282 1.751 20 30 DDEDLN CSCc1n[nH]c(CNC(=O)c2ccc(C#N)c(O)c2)n1 ZINC001364871848 889582177 /nfs/dbraw/zinc/58/21/77/889582177.db2.gz PBOZCLGGCTVXIQ-UHFFFAOYSA-N 0 2 303.347 1.175 20 30 DDEDLN CSCc1nnc(CNC(=O)c2ccc(C#N)c(O)c2)[nH]1 ZINC001364871848 889582190 /nfs/dbraw/zinc/58/21/90/889582190.db2.gz PBOZCLGGCTVXIQ-UHFFFAOYSA-N 0 2 303.347 1.175 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)NC(=O)CC(F)(F)F ZINC001386300920 890746810 /nfs/dbraw/zinc/74/68/10/890746810.db2.gz DHUCWQYTIWKOLH-UJURSFKZSA-N 0 2 312.185 1.460 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)NC(=O)CC(F)(F)F ZINC001386300920 890746822 /nfs/dbraw/zinc/74/68/22/890746822.db2.gz DHUCWQYTIWKOLH-UJURSFKZSA-N 0 2 312.185 1.460 20 30 DDEDLN C#Cc1cc(NS(=O)(=O)c2cccc3cccnc32)ccn1 ZINC001250962192 894519290 /nfs/dbraw/zinc/51/92/90/894519290.db2.gz PHZAGFLDVXFGST-UHFFFAOYSA-N 0 2 309.350 1.834 20 30 DDEDLN O=C(CC(F)(F)F)N1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001389735720 897890454 /nfs/dbraw/zinc/89/04/54/897890454.db2.gz IRXRWJMHFLXDJO-ZETCQYMHSA-N 0 2 324.196 1.414 20 30 DDEDLN O=C(CC(F)(F)F)N1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001389735720 897890458 /nfs/dbraw/zinc/89/04/58/897890458.db2.gz IRXRWJMHFLXDJO-ZETCQYMHSA-N 0 2 324.196 1.414 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1cnc2c(c1)CC(=O)N2 ZINC001258208477 898109024 /nfs/dbraw/zinc/10/90/24/898109024.db2.gz RIKBCWDNGCPQQS-UHFFFAOYSA-N 0 2 314.326 1.249 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)CCc2ccc(F)cc2)CCC1=O ZINC001259758240 898785141 /nfs/dbraw/zinc/78/51/41/898785141.db2.gz IDWBOVQSZQQWMS-GFCCVEGCSA-N 0 2 310.350 1.113 20 30 DDEDLN CCn1cc(S(=O)(=O)Nc2cc(F)c(F)c(C#N)c2)cn1 ZINC001259838355 898852139 /nfs/dbraw/zinc/85/21/39/898852139.db2.gz FUALTDBASPZXIY-UHFFFAOYSA-N 0 2 312.301 1.854 20 30 DDEDLN Cn1ncc(NS(=O)(=O)c2cnc3ccccc3c2)c1C#N ZINC001260005824 899009148 /nfs/dbraw/zinc/00/91/48/899009148.db2.gz OIUXWSRALMHZLO-UHFFFAOYSA-N 0 2 313.342 1.641 20 30 DDEDLN N#Cc1sc(N2CCC[C@@H](c3nc(=O)[nH][nH]3)C2)nc1Cl ZINC000286614414 219084228 /nfs/dbraw/zinc/08/42/28/219084228.db2.gz YKPTVADHCYOLGQ-ZCFIWIBFSA-N 0 2 310.770 1.464 20 30 DDEDLN Cc1nc(Cc2ccccc2)sc1C(=O)NC1=NC(=O)CN1 ZINC000050222963 352565073 /nfs/dbraw/zinc/56/50/73/352565073.db2.gz SOQOLSPSKDDDBM-UHFFFAOYSA-N 0 2 314.370 1.833 20 30 DDEDLN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2=NC(=O)CN2)c1 ZINC000050222958 352565091 /nfs/dbraw/zinc/56/50/91/352565091.db2.gz SKEUACQSAPOKRR-LDYMZIIASA-N 0 2 300.318 1.072 20 30 DDEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ccc(C#N)cn1 ZINC000277113427 213301013 /nfs/dbraw/zinc/30/10/13/213301013.db2.gz XTGVDOJZZLPWDF-UHFFFAOYSA-N 0 2 300.240 1.349 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cc(CC#N)ccn2)cc1C#N ZINC000581860783 354737558 /nfs/dbraw/zinc/73/75/58/354737558.db2.gz ZINQRZNXJNMZTH-UHFFFAOYSA-N 0 2 313.342 1.524 20 30 DDEDLN N#Cc1cnc(Nc2cnn(C[C@H]3CCCO3)c2)c([N+](=O)[O-])c1 ZINC000590686910 355147883 /nfs/dbraw/zinc/14/78/83/355147883.db2.gz DGWFICYQFOCLAV-GFCCVEGCSA-N 0 2 314.305 1.981 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(-c3nc[nH]n3)cc2)[nH]c1C#N ZINC000184462741 283251122 /nfs/dbraw/zinc/25/11/22/283251122.db2.gz SPPSKMMNNAIPPW-UHFFFAOYSA-N 0 2 304.273 1.190 20 30 DDEDLN [O-]C(=[NH+][C@H]1CCn2cc[nH+]c2C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000330282693 223098938 /nfs/dbraw/zinc/09/89/38/223098938.db2.gz VNFRGKFNXUPLSS-ZDUSSCGKSA-N 0 2 314.393 1.715 20 30 DDEDLN CC(C)(C)Cc1nnc(NS(=O)(=O)c2ccc(C#N)o2)o1 ZINC000288629194 220302979 /nfs/dbraw/zinc/30/29/79/220302979.db2.gz RLGUAHNVBIHKED-UHFFFAOYSA-N 0 2 310.335 1.924 20 30 DDEDLN CO[C@@H]1CC[C@H](NC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000331025485 533438885 /nfs/dbraw/zinc/43/88/85/533438885.db2.gz WEKCOSZTDMIPJX-VHSXEESVSA-N 0 2 307.375 1.678 20 30 DDEDLN N#Cc1nc(NC(=O)C[C@@H]2C(=O)Nc3ccccc32)[nH]c1C#N ZINC000132530286 407788988 /nfs/dbraw/zinc/78/89/88/407788988.db2.gz ATXACPJYIAKJIQ-VIFPVBQESA-N 0 2 306.285 1.218 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCOC(C)(C)C2)cc1C#N ZINC000154193521 407990540 /nfs/dbraw/zinc/99/05/40/407990540.db2.gz PDVXEHFOYRKQLV-JTQLQIEISA-N 0 2 321.402 1.656 20 30 DDEDLN Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000175296223 408100972 /nfs/dbraw/zinc/10/09/72/408100972.db2.gz NNBNARMECHMRQP-QMMMGPOBSA-N 0 2 311.349 1.321 20 30 DDEDLN CCOc1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)cn1 ZINC000184493416 408630106 /nfs/dbraw/zinc/63/01/06/408630106.db2.gz GQIREZOALATPJR-UHFFFAOYSA-N 0 2 321.362 1.391 20 30 DDEDLN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](F)C(F)(F)F)c1 ZINC000277433482 408940215 /nfs/dbraw/zinc/94/02/15/408940215.db2.gz NBLHSUNBGSVYDP-GFCCVEGCSA-N 0 2 316.254 1.965 20 30 DDEDLN C#Cc1cccc(NC(=O)CN(C)C(=O)C(F)C(F)(F)F)c1 ZINC000277433482 408940216 /nfs/dbraw/zinc/94/02/16/408940216.db2.gz NBLHSUNBGSVYDP-GFCCVEGCSA-N 0 2 316.254 1.965 20 30 DDEDLN C=CCN1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1=O ZINC000281868915 408944555 /nfs/dbraw/zinc/94/45/55/408944555.db2.gz ZHHSGMJBUGQJCG-GFCCVEGCSA-N 0 2 319.317 1.159 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000287284856 409012723 /nfs/dbraw/zinc/01/27/23/409012723.db2.gz RVRWDJHKNYYGPX-WWNSAXIVSA-N 0 2 312.347 1.544 20 30 DDEDLN Cc1n[nH]c(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)n1 ZINC000280547212 409352017 /nfs/dbraw/zinc/35/20/17/409352017.db2.gz OYAXWZRNYOETJS-UHFFFAOYSA-N 0 2 315.337 1.136 20 30 DDEDLN C=C(C)CS(=O)(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000280683166 409408465 /nfs/dbraw/zinc/40/84/65/409408465.db2.gz ZQSKADHOKJYFPE-UHFFFAOYSA-N 0 2 313.404 1.735 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCO[C@@H](C)C2)cc1C#N ZINC000356866399 409673212 /nfs/dbraw/zinc/67/32/12/409673212.db2.gz ITULSRUQZUXKRO-UWVGGRQHSA-N 0 2 321.402 1.926 20 30 DDEDLN COC(=O)[C@H]1CC[C@H](C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)CC1 ZINC000331598183 409680715 /nfs/dbraw/zinc/68/07/15/409680715.db2.gz YPANSIWWBCHEML-PHIMTYICSA-N 0 2 316.361 2.077 20 30 DDEDLN COc1cc([N+](=O)[O-])ccc1C(=O)N=c1[nH][nH]c(C)c1C#N ZINC000357170599 409921013 /nfs/dbraw/zinc/92/10/13/409921013.db2.gz YHEUBXCWRMCBEU-UHFFFAOYSA-N 0 2 301.262 1.759 20 30 DDEDLN COc1ccc([N+](=O)[O-])c(C(=O)N=c2[nH][nH]c(C)c2C#N)c1 ZINC000357265971 409953789 /nfs/dbraw/zinc/95/37/89/409953789.db2.gz XPYBXBLHWSMERW-UHFFFAOYSA-N 0 2 301.262 1.759 20 30 DDEDLN N#CCc1cccc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[nH]2)c1 ZINC000329182220 410152158 /nfs/dbraw/zinc/15/21/58/410152158.db2.gz OLWXJCWBWWEHSJ-ZDUSSCGKSA-N 0 2 311.345 1.944 20 30 DDEDLN COc1ccccc1-c1n[nH]c(NC(=O)c2cnn(C)c2C#N)n1 ZINC000355031474 410254674 /nfs/dbraw/zinc/25/46/74/410254674.db2.gz ANWVEDLXYPBLDZ-UHFFFAOYSA-N 0 2 323.316 1.338 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cc1OC ZINC000352857458 410681091 /nfs/dbraw/zinc/68/10/91/410681091.db2.gz JFTOAKVITNJVPI-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN Cn1ncc2c1[nH]cc(C(=O)NCC(C)(C)CCC#N)c2=O ZINC000360422960 418430480 /nfs/dbraw/zinc/43/04/80/418430480.db2.gz HWMRFYCWEYJNBZ-UHFFFAOYSA-N 0 2 301.350 1.734 20 30 DDEDLN CCn1nc(C)c(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1C ZINC000427270649 419629101 /nfs/dbraw/zinc/62/91/01/419629101.db2.gz WQBYDXBPOXJRJR-UHFFFAOYSA-N 0 2 319.390 1.896 20 30 DDEDLN C=CCC[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(=O)OCC ZINC000456613875 420515470 /nfs/dbraw/zinc/51/54/70/420515470.db2.gz UHPNXFSJQZPHHH-NSHDSACASA-N 0 2 322.317 1.928 20 30 DDEDLN CC(=O)N1CCC(CCC(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1 ZINC000438964903 420472207 /nfs/dbraw/zinc/47/22/07/420472207.db2.gz KQYFYACXCCSCRM-UHFFFAOYSA-N 0 2 314.349 1.130 20 30 DDEDLN Cc1nc([C@@H]2CCC[N@H+](Cc3cnc4c(C#N)cnn4c3)C2)n[nH]1 ZINC000582003922 422085876 /nfs/dbraw/zinc/08/58/76/422085876.db2.gz QCVQWMSZQUPAPO-CYBMUJFWSA-N 0 2 322.376 1.407 20 30 DDEDLN Cc1nc([C@@H]2CCC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)n[nH]1 ZINC000582003922 422085881 /nfs/dbraw/zinc/08/58/81/422085881.db2.gz QCVQWMSZQUPAPO-CYBMUJFWSA-N 0 2 322.376 1.407 20 30 DDEDLN Cc1onc(N)c1S(=O)(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000583567715 422187739 /nfs/dbraw/zinc/18/77/39/422187739.db2.gz JCJRNNBTFVXEPV-UHFFFAOYSA-N 0 2 320.374 2.167 20 30 DDEDLN C=C(C)C[C@H](NC(C)=O)C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000628540536 422213950 /nfs/dbraw/zinc/21/39/50/422213950.db2.gz GHCCCZKDJRTHHZ-JTQLQIEISA-N 0 2 308.407 1.421 20 30 DDEDLN COCCc1ccnc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000351170639 266711017 /nfs/dbraw/zinc/71/10/17/266711017.db2.gz OROXJJNLOBACTJ-UHFFFAOYSA-N 0 2 317.370 1.943 20 30 DDEDLN COc1ccc2c(c1)C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)CO2 ZINC000128047350 295261197 /nfs/dbraw/zinc/26/11/97/295261197.db2.gz HSLCVJICTXAVAA-SNVBAGLBSA-N 0 2 323.312 1.351 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N(C)[C@H](C)CC#N)=N2)cc1 ZINC000180753383 333165025 /nfs/dbraw/zinc/16/50/25/333165025.db2.gz OETXLUDKIKSEAZ-LLVKDONJSA-N 0 2 314.345 1.961 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000582945500 337220781 /nfs/dbraw/zinc/22/07/81/337220781.db2.gz UKTNVNFGXNVPKX-MNOVXSKESA-N 0 2 302.359 1.552 20 30 DDEDLN C=CCCOCC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000681202269 486370276 /nfs/dbraw/zinc/37/02/76/486370276.db2.gz NIFUDEVMYVHYRC-UHFFFAOYSA-N 0 2 316.361 1.593 20 30 DDEDLN COC(=O)c1cc(C(=O)[C@H](C#N)c2nc3c(nccc3C)[nH]2)c[nH]1 ZINC000345492651 533747753 /nfs/dbraw/zinc/74/77/53/533747753.db2.gz QXIHTYDROYZCMO-JTQLQIEISA-N 0 2 323.312 1.871 20 30 DDEDLN COC(=O)c1cc(C(=O)[C@@H](C#N)c2nc3c(nccc3C)[nH]2)c[nH]1 ZINC000345492653 533747903 /nfs/dbraw/zinc/74/79/03/533747903.db2.gz QXIHTYDROYZCMO-SNVBAGLBSA-N 0 2 323.312 1.871 20 30 DDEDLN C=CC[C@@H](CO)NC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000337247615 527088683 /nfs/dbraw/zinc/08/86/83/527088683.db2.gz KDXDKUOYQBMMGE-NSHDSACASA-N 0 2 304.375 1.686 20 30 DDEDLN C[C@]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)(C(=O)[O-])C1CC1 ZINC000827741772 601176915 /nfs/dbraw/zinc/17/69/15/601176915.db2.gz RZKNGSDWBLUUOE-MRXNPFEDSA-N 0 2 312.329 1.951 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000827881836 603815055 /nfs/dbraw/zinc/81/50/55/603815055.db2.gz IPLOQZADOVITFI-LBPRGKRZSA-N 0 2 308.382 1.013 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000827881836 603815059 /nfs/dbraw/zinc/81/50/59/603815059.db2.gz IPLOQZADOVITFI-LBPRGKRZSA-N 0 2 308.382 1.013 20 30 DDEDLN C=C(C)COc1cc(C[N@@H+]2CCO[C@H](C(=O)[O-])C2)ccc1OC ZINC000819705776 604631844 /nfs/dbraw/zinc/63/18/44/604631844.db2.gz FTCIAZLKCLKVNE-INIZCTEOSA-N 0 2 321.373 1.936 20 30 DDEDLN C=C(C)COc1cc(C[N@H+]2CCO[C@H](C(=O)[O-])C2)ccc1OC ZINC000819705776 604631846 /nfs/dbraw/zinc/63/18/46/604631846.db2.gz FTCIAZLKCLKVNE-INIZCTEOSA-N 0 2 321.373 1.936 20 30 DDEDLN C[C@]1(C#N)CCC[N@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000833550547 605416088 /nfs/dbraw/zinc/41/60/88/605416088.db2.gz BCZNMFUZAVITTE-JEMSNHSXSA-N 0 2 323.418 1.504 20 30 DDEDLN C[C@]1(C#N)CCC[N@@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000833550547 605416090 /nfs/dbraw/zinc/41/60/90/605416090.db2.gz BCZNMFUZAVITTE-JEMSNHSXSA-N 0 2 323.418 1.504 20 30 DDEDLN Cc1oc(NC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[O-])c(C#N)c1C ZINC000833934851 605763040 /nfs/dbraw/zinc/76/30/40/605763040.db2.gz NWLWIQVJYZAMMY-QMMMGPOBSA-N 0 2 308.338 1.295 20 30 DDEDLN Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[O-])c(C#N)c1C ZINC000833934851 605763044 /nfs/dbraw/zinc/76/30/44/605763044.db2.gz NWLWIQVJYZAMMY-QMMMGPOBSA-N 0 2 308.338 1.295 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1ccc2c(c1)OCO2 ZINC000122886137 696726250 /nfs/dbraw/zinc/72/62/50/696726250.db2.gz NGWDDNWUZQBTNA-LLVKDONJSA-N 0 2 311.297 1.283 20 30 DDEDLN O=[N+]([O-])c1cc(C=NNC(=S)NCC(F)(F)F)ccc1O ZINC000746494620 700027225 /nfs/dbraw/zinc/02/72/25/700027225.db2.gz FGVAHKBBHCMXHY-UHFFFAOYSA-N 0 2 322.268 1.661 20 30 DDEDLN C#CCOc1ccc(NS(=O)(=O)c2cnn(CC)c2)cc1 ZINC000108250626 696632995 /nfs/dbraw/zinc/63/29/95/696632995.db2.gz AZRYVKQGNMZCSE-UHFFFAOYSA-N 0 2 305.359 1.716 20 30 DDEDLN COc1ccc(CCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000119475148 696681180 /nfs/dbraw/zinc/68/11/80/696681180.db2.gz SBAZCRPBAGBNCJ-AWEZNQCLSA-N 0 2 311.341 1.953 20 30 DDEDLN O=C([N-]Cc1[nH+]ccn1CC(F)(F)F)C(F)(F)C(F)F ZINC000749372480 700159159 /nfs/dbraw/zinc/15/91/59/700159159.db2.gz FZRBFBAWFYJYOG-UHFFFAOYSA-N 0 2 307.169 1.962 20 30 DDEDLN Cn1ncc2c1nc(N=NC1CCCC13CCOCC3)[nH]c2=O ZINC000799880398 700172551 /nfs/dbraw/zinc/17/25/51/700172551.db2.gz OMUAZSNWLBLPCP-UHFFFAOYSA-N 0 2 316.365 1.818 20 30 DDEDLN C#CCOc1ccccc1NS(=O)(=O)c1cc(C)cnc1N ZINC000775297903 697979336 /nfs/dbraw/zinc/97/93/36/697979336.db2.gz CLUYKFHLSYXWKB-UHFFFAOYSA-N 0 2 317.370 1.785 20 30 DDEDLN C=C(C)CO[N-]C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000846533324 703292835 /nfs/dbraw/zinc/29/28/35/703292835.db2.gz HFMRSODDBCQSDS-ZDUSSCGKSA-N 0 2 308.382 1.107 20 30 DDEDLN C=C(C)CO[N-]C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000846533324 703292838 /nfs/dbraw/zinc/29/28/38/703292838.db2.gz HFMRSODDBCQSDS-ZDUSSCGKSA-N 0 2 308.382 1.107 20 30 DDEDLN N#CC(C(=O)[C@@H]1COC(=O)N1)c1nc2ccccc2n1C(F)F ZINC000860478169 705200179 /nfs/dbraw/zinc/20/01/79/705200179.db2.gz RHQYQGGNFOILNV-APPZFPTMSA-N 0 2 320.255 1.716 20 30 DDEDLN N#C[C@H](C(=O)[C@@H]1COC(=O)N1)c1nc2ccccc2n1C(F)F ZINC000860478169 705200183 /nfs/dbraw/zinc/20/01/83/705200183.db2.gz RHQYQGGNFOILNV-APPZFPTMSA-N 0 2 320.255 1.716 20 30 DDEDLN O=C1C[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)CN1CC1CC1 ZINC000887271063 709003353 /nfs/dbraw/zinc/00/33/53/709003353.db2.gz ZDQPFQAKBIMENW-VQZCYCSMSA-N 0 2 303.318 1.730 20 30 DDEDLN C=CCOC[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC000901811248 710154004 /nfs/dbraw/zinc/15/40/04/710154004.db2.gz DELWAOLGVXTPAT-GFCCVEGCSA-N 0 2 323.780 1.972 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000892863889 710515166 /nfs/dbraw/zinc/51/51/66/710515166.db2.gz QJOVXWYKCHJXPL-NEPJUHHUSA-N 0 2 301.346 1.661 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1nn(CC)cc1C(=O)OCC ZINC000903675275 711242422 /nfs/dbraw/zinc/24/24/22/711242422.db2.gz ZIWHZVHIUAFABG-UHFFFAOYSA-N 0 2 315.395 1.788 20 30 DDEDLN C[C@@H](C#N)NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1F ZINC000906062485 712234458 /nfs/dbraw/zinc/23/44/58/712234458.db2.gz ZUIRPIZFPKTALR-ASCAZGACSA-N 0 2 305.356 1.029 20 30 DDEDLN COC(=O)CC1CC(NS(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000921181782 713719201 /nfs/dbraw/zinc/71/92/01/713719201.db2.gz SHDHAGCQHCKVRA-UHFFFAOYSA-N 0 2 314.407 1.331 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000965917611 717814326 /nfs/dbraw/zinc/81/43/26/717814326.db2.gz XWWDMMXFGSCGOS-KWQFWETISA-N 0 2 312.801 1.616 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000965917611 717814330 /nfs/dbraw/zinc/81/43/30/717814330.db2.gz XWWDMMXFGSCGOS-KWQFWETISA-N 0 2 312.801 1.616 20 30 DDEDLN CC(C)C#CC(=O)NCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001076413607 742718526 /nfs/dbraw/zinc/71/85/26/742718526.db2.gz GSBLWDQCSWCCPM-GXSJLCMTSA-N 0 2 310.291 1.557 20 30 DDEDLN CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001076413607 742718528 /nfs/dbraw/zinc/71/85/28/742718528.db2.gz GSBLWDQCSWCCPM-GXSJLCMTSA-N 0 2 310.291 1.557 20 30 DDEDLN CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023451815 735246862 /nfs/dbraw/zinc/24/68/62/735246862.db2.gz MPFCMULFTXCYNH-JKSUJKDBSA-N 0 2 314.433 1.297 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)c3nnc[nH]3)C(C)(C)[C@@H]21 ZINC001087308554 736033567 /nfs/dbraw/zinc/03/35/67/736033567.db2.gz SEXYOOMHPMNSMM-IJLUTSLNSA-N 0 2 323.828 1.776 20 30 DDEDLN CSc1ncc(O)c(C(=O)NC2=CC(=O)CC(C)(C)C2)n1 ZINC001185187873 744174957 /nfs/dbraw/zinc/17/49/57/744174957.db2.gz MFCCBFXGBADTCH-UHFFFAOYSA-N 0 2 307.375 1.907 20 30 DDEDLN CC#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H]1C ZINC001088944860 744393407 /nfs/dbraw/zinc/39/34/07/744393407.db2.gz DKCDSFLGAVLGPT-PBHICJAKSA-N 0 2 323.400 1.483 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)Cc3nnc[nH]3)CCC[C@H]12 ZINC000992399603 744855037 /nfs/dbraw/zinc/85/50/37/744855037.db2.gz CLJBYIIZRVMDSV-FZMZJTMJSA-N 0 2 309.801 1.213 20 30 DDEDLN CCOC(=O)C(C)(C)S(=O)(=O)Nc1ccc(C#N)nc1C ZINC001193024219 745962699 /nfs/dbraw/zinc/96/26/99/745962699.db2.gz GPDHBRUEOPZZPH-UHFFFAOYSA-N 0 2 311.363 1.345 20 30 DDEDLN C[C@H](C#N)S(=O)(=O)Nc1cnc2cc(C(C)(C)C)nn2c1 ZINC001193110658 745981817 /nfs/dbraw/zinc/98/18/17/745981817.db2.gz ALDLYIODEOCDSF-SECBINFHSA-N 0 2 307.379 1.681 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(O)cc2O)c1 ZINC001193635702 746156437 /nfs/dbraw/zinc/15/64/37/746156437.db2.gz CTECXHXXFUPFSS-UHFFFAOYSA-N 0 2 320.326 1.779 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2c(F)cccc2C#N)cn1 ZINC001195716614 746684094 /nfs/dbraw/zinc/68/40/94/746684094.db2.gz GNTRTUPHOLDJSU-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN C#CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)[C@H]1C ZINC000994489777 746686994 /nfs/dbraw/zinc/68/69/94/746686994.db2.gz VBXQSUSXKYWEFT-HIFRSBDPSA-N 0 2 323.400 1.688 20 30 DDEDLN C=CCC(CC=C)C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC001195966571 746742348 /nfs/dbraw/zinc/74/23/48/746742348.db2.gz MEAGKLBTNQEFCZ-UHFFFAOYSA-N 0 2 319.409 1.313 20 30 DDEDLN CCOC(=O)CS(=O)(=O)Nc1ccc(F)c(C#N)c1F ZINC001195972985 746742795 /nfs/dbraw/zinc/74/27/95/746742795.db2.gz HIBQATWKEOBVMI-UHFFFAOYSA-N 0 2 304.274 1.141 20 30 DDEDLN C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001110609478 748822946 /nfs/dbraw/zinc/82/29/46/748822946.db2.gz HPAMXJLETXYTHI-UTUOFQBUSA-N 0 2 305.382 1.088 20 30 DDEDLN C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001110609478 748822952 /nfs/dbraw/zinc/82/29/52/748822952.db2.gz HPAMXJLETXYTHI-UTUOFQBUSA-N 0 2 305.382 1.088 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001098327175 762064608 /nfs/dbraw/zinc/06/46/08/762064608.db2.gz CFYPUAJUMLVDSG-SVRRBLITSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001098327175 762064617 /nfs/dbraw/zinc/06/46/17/762064617.db2.gz CFYPUAJUMLVDSG-SVRRBLITSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNc1ccc(C#N)nc1)NC(=O)C(F)C(F)(F)F ZINC001108170561 753340597 /nfs/dbraw/zinc/34/05/97/753340597.db2.gz ISLDLKJIRUAFAV-GMSGAONNSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H](F)C(F)(F)F ZINC001108170561 753340602 /nfs/dbraw/zinc/34/06/02/753340602.db2.gz ISLDLKJIRUAFAV-GMSGAONNSA-N 0 2 304.247 1.770 20 30 DDEDLN CC#CC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001170165618 766105384 /nfs/dbraw/zinc/10/53/84/766105384.db2.gz WYWKEKVNZCPJLU-UHFFFAOYSA-N 0 2 302.227 1.966 20 30 DDEDLN C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@H]2C1 ZINC001048873774 770030956 /nfs/dbraw/zinc/03/09/56/770030956.db2.gz WVOCQQFZXJTDRF-XJFOESAGSA-N 0 2 320.824 1.656 20 30 DDEDLN Cc1cc(C#N)nc(N(C)CCNC(=O)C(F)C(F)(F)F)n1 ZINC001100366922 776059557 /nfs/dbraw/zinc/05/95/57/776059557.db2.gz MSWVFVFPJJRCRJ-SECBINFHSA-N 0 2 319.262 1.110 20 30 DDEDLN Cc1cc(C#N)nc(N(C)CCNC(=O)[C@@H](F)C(F)(F)F)n1 ZINC001100366922 776059565 /nfs/dbraw/zinc/05/95/65/776059565.db2.gz MSWVFVFPJJRCRJ-SECBINFHSA-N 0 2 319.262 1.110 20 30 DDEDLN CN(CCNc1ncccc1C#N)C(=O)C(F)C(F)(F)F ZINC001102003392 777786234 /nfs/dbraw/zinc/78/62/34/777786234.db2.gz WCKCBOCPYMJUEC-SECBINFHSA-N 0 2 304.247 1.724 20 30 DDEDLN CN(CCNc1ncccc1C#N)C(=O)[C@@H](F)C(F)(F)F ZINC001102003392 777786245 /nfs/dbraw/zinc/78/62/45/777786245.db2.gz WCKCBOCPYMJUEC-SECBINFHSA-N 0 2 304.247 1.724 20 30 DDEDLN CCOC(=O)[C@H]1COCCN1C(=O)[C@@H](C#N)Cc1cccs1 ZINC001177912258 778781540 /nfs/dbraw/zinc/78/15/40/778781540.db2.gz NFBKYLGQSGLMLZ-DGCLKSJQSA-N 0 2 322.386 1.221 20 30 DDEDLN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccnc(CO)c2)c1 ZINC001190939266 851148634 /nfs/dbraw/zinc/14/86/34/851148634.db2.gz XUXWGZQPKLLAPE-UHFFFAOYSA-N 0 2 323.761 1.900 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)nc1 ZINC001095758314 855322981 /nfs/dbraw/zinc/32/29/81/855322981.db2.gz CBDIHZAQNVKKBG-NSHDSACASA-N 0 2 318.274 1.796 20 30 DDEDLN CN(CCCNC(=O)[C@H](F)C(F)(F)F)c1ccc(C#N)nc1 ZINC001095758314 855322990 /nfs/dbraw/zinc/32/29/90/855322990.db2.gz CBDIHZAQNVKKBG-NSHDSACASA-N 0 2 318.274 1.796 20 30 DDEDLN N#CCOc1cccc(CC(=O)NCCc2n[nH]c(=S)o2)c1 ZINC001138519719 860122769 /nfs/dbraw/zinc/12/27/69/860122769.db2.gz QOELEFYKHMCFBR-UHFFFAOYSA-N 0 2 318.358 1.162 20 30 DDEDLN N#Cc1ccc(CNC(=O)c2c[nH]c3cccnc3c2=O)cc1F ZINC001153861473 864172139 /nfs/dbraw/zinc/17/21/39/864172139.db2.gz FEAYOSRRWDDTLH-UHFFFAOYSA-N 0 2 322.299 1.864 20 30 DDEDLN CC#CC[NH+]1CCC([C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001333004026 866331697 /nfs/dbraw/zinc/33/16/97/866331697.db2.gz GPHZFVSORXKAIJ-ZDUSSCGKSA-N 0 2 302.422 1.501 20 30 DDEDLN C#CCCCC(=O)NC[C@@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC001334239957 867415479 /nfs/dbraw/zinc/41/54/79/867415479.db2.gz XWNZMBQVJUOYFE-KOLCDFICSA-N 0 2 310.291 1.653 20 30 DDEDLN C#CCCCC(=O)NC[C@@H](C)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001334239957 867415487 /nfs/dbraw/zinc/41/54/87/867415487.db2.gz XWNZMBQVJUOYFE-KOLCDFICSA-N 0 2 310.291 1.653 20 30 DDEDLN N#CCc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC001213863809 876086771 /nfs/dbraw/zinc/08/67/71/876086771.db2.gz NOANHFARBRDWIL-UHFFFAOYSA-N 0 2 318.314 1.857 20 30 DDEDLN O=C(C#CC1CC1)NC[C@H](NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001353104828 877122787 /nfs/dbraw/zinc/12/27/87/877122787.db2.gz WJYPMNXJFPIAON-CMPLNLGQSA-N 0 2 320.286 1.311 20 30 DDEDLN O=C(C#CC1CC1)NC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001353104828 877122799 /nfs/dbraw/zinc/12/27/99/877122799.db2.gz WJYPMNXJFPIAON-CMPLNLGQSA-N 0 2 320.286 1.311 20 30 DDEDLN N#C[C@H](C(=O)Cn1ncc2ccccc2c1=O)c1cccc(F)n1 ZINC001357580633 880066684 /nfs/dbraw/zinc/06/66/84/880066684.db2.gz QPXKPCBAKORRFN-ZDUSSCGKSA-N 0 2 322.299 1.807 20 30 DDEDLN CC(C)(C)OC(=O)c1cc(C(=O)Nc2n[nH]cc2C#N)[nH]n1 ZINC001363432317 886325172 /nfs/dbraw/zinc/32/51/72/886325172.db2.gz BPGAKOCDSSCCAR-UHFFFAOYSA-N 0 2 302.294 1.212 20 30 DDEDLN CC(C)(C)OC(=O)c1cc(C(=O)Nc2n[nH]cc2C#N)n[nH]1 ZINC001363432317 886325182 /nfs/dbraw/zinc/32/51/82/886325182.db2.gz BPGAKOCDSSCCAR-UHFFFAOYSA-N 0 2 302.294 1.212 20 30 DDEDLN CC(C)c1nc(CCNc2[nH]c(=O)n(C)c(=O)c2C#N)cs1 ZINC001363726491 887078198 /nfs/dbraw/zinc/07/81/98/887078198.db2.gz GZDGBEBQDZVOSN-UHFFFAOYSA-N 0 2 319.390 1.180 20 30 DDEDLN Cn1c(=O)[nH]c(NCc2cccc(Cl)c2F)c(C#N)c1=O ZINC001364149581 888027830 /nfs/dbraw/zinc/02/78/30/888027830.db2.gz PAIRGBBHUKTOAB-UHFFFAOYSA-N 0 2 308.700 1.350 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2cc(F)ccc2OC(F)F)c1=O ZINC001364285793 888294754 /nfs/dbraw/zinc/29/47/54/888294754.db2.gz KEXYOQQBWMUOBD-UHFFFAOYSA-N 0 2 311.219 1.197 20 30 DDEDLN C[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@H](C2CC2)O1 ZINC001364696570 889219955 /nfs/dbraw/zinc/21/99/55/889219955.db2.gz ZQPDYLWCIGKYEF-QMTHXVAHSA-N 0 2 313.361 1.306 20 30 DDEDLN C[C@@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@H](C2CC2)O1 ZINC001364696570 889219970 /nfs/dbraw/zinc/21/99/70/889219970.db2.gz ZQPDYLWCIGKYEF-QMTHXVAHSA-N 0 2 313.361 1.306 20 30 DDEDLN C#Cc1cc(=NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc[nH]1 ZINC001259377384 898642851 /nfs/dbraw/zinc/64/28/51/898642851.db2.gz SPXFRYKUNKYKTC-UHFFFAOYSA-N 0 2 315.310 1.132 20 30 DDEDLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(F)c(F)c(C#N)c1 ZINC001261029613 899331396 /nfs/dbraw/zinc/33/13/96/899331396.db2.gz HNVCXJCFFICTAU-UHFFFAOYSA-N 0 2 312.301 1.977 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC001396843247 914580064 /nfs/dbraw/zinc/58/00/64/914580064.db2.gz ONBLCQYNRBZRLS-IONNQARKSA-N 0 2 309.263 1.154 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001396843247 914580072 /nfs/dbraw/zinc/58/00/72/914580072.db2.gz ONBLCQYNRBZRLS-IONNQARKSA-N 0 2 309.263 1.154 20 30 DDEDLN C[C@H](C#N)C(=O)NCCCN(C(=O)C(F)C(F)(F)F)C1CC1 ZINC001294634238 915257284 /nfs/dbraw/zinc/25/72/84/915257284.db2.gz JIMPZXPBPMCSLL-PSASIEDQSA-N 0 2 323.290 1.544 20 30 DDEDLN C[C@H](C#N)C(=O)NCCCN(C(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001294634238 915257303 /nfs/dbraw/zinc/25/73/03/915257303.db2.gz JIMPZXPBPMCSLL-PSASIEDQSA-N 0 2 323.290 1.544 20 30 DDEDLN CC(C)C[C@@H](CNc1[nH+]cnc2c1cnn2CCC#N)C(=O)[O-] ZINC000591687110 355362268 /nfs/dbraw/zinc/36/22/68/355362268.db2.gz BWQPVTYNXSTOFD-NSHDSACASA-N 0 2 316.365 1.899 20 30 DDEDLN COC(C)(C)c1nc(=NC(=O)c2ccc(C#N)n2C)s[nH]1 ZINC000601794842 358697455 /nfs/dbraw/zinc/69/74/55/358697455.db2.gz HHOCXUYDQDFYPM-UHFFFAOYSA-N 0 2 305.363 1.304 20 30 DDEDLN COc1ccc2cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)[nH]c2c1 ZINC000603634113 359668935 /nfs/dbraw/zinc/66/89/35/359668935.db2.gz AEZFIHHKGIZKKY-UHFFFAOYSA-N 0 2 306.285 1.895 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(OC)n1 ZINC000604471273 359754407 /nfs/dbraw/zinc/75/44/07/359754407.db2.gz SHEQYRCCIHMVNO-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN COC(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1F ZINC000610873456 360557779 /nfs/dbraw/zinc/55/77/79/360557779.db2.gz MYZCUAOQIYSWFF-UHFFFAOYSA-N 0 2 313.248 1.331 20 30 DDEDLN Cc1nc(NS(=O)(=O)[C@@H](C)C#N)ccc1Br ZINC000091507431 193067214 /nfs/dbraw/zinc/06/72/14/193067214.db2.gz DGBWESMPYVWCDL-LURJTMIESA-N 0 2 304.169 1.806 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC2(CO)CCCC2)cc1C#N ZINC000330724132 533076947 /nfs/dbraw/zinc/07/69/47/533076947.db2.gz IVQWLINVDZHLGS-UHFFFAOYSA-N 0 2 307.375 1.990 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2oc(C)nc2C)cc1C#N ZINC000425307072 533078197 /nfs/dbraw/zinc/07/81/97/533078197.db2.gz QXDFHBKUYMXQCJ-UHFFFAOYSA-N 0 2 318.358 1.916 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1C#N ZINC000074070698 406901695 /nfs/dbraw/zinc/90/16/95/406901695.db2.gz DVJYQTORUPBIPH-RKDXNWHRSA-N 0 2 307.375 1.630 20 30 DDEDLN O=C(Cc1ccc(F)c(Br)c1)NC1=NC(=O)CN1 ZINC000056214367 407208528 /nfs/dbraw/zinc/20/85/28/407208528.db2.gz KFXHLFCZEHOOCT-UHFFFAOYSA-N 0 2 314.114 1.573 20 30 DDEDLN CCc1cc(NS(=O)(=O)c2ccc(C#N)nc2)nc(C)n1 ZINC000186114213 407580980 /nfs/dbraw/zinc/58/09/80/407580980.db2.gz RBXFWLFWYJRODY-UHFFFAOYSA-N 0 2 303.347 1.415 20 30 DDEDLN CN(C)c1ncc(NS(=O)(=O)c2ccccc2C#N)cn1 ZINC000134000159 407882113 /nfs/dbraw/zinc/88/21/13/407882113.db2.gz YIGAVBYLKWOVBJ-UHFFFAOYSA-N 0 2 303.347 1.215 20 30 DDEDLN Cc1cc(O)c(C(=O)C=Cc2ccc3c(c2)CCN3C)c(=O)o1 ZINC000269676684 408386359 /nfs/dbraw/zinc/38/63/59/408386359.db2.gz DBRBNMVSFAHTIJ-YXMMZVCTSA-N 0 2 311.337 1.907 20 30 DDEDLN CCOC(=O)[C@H](CCOC)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000280927339 408860661 /nfs/dbraw/zinc/86/06/61/408860661.db2.gz FQISAFWHCCBMGQ-DGGAMASNSA-N 0 2 310.306 1.688 20 30 DDEDLN CC(C)(C)C1CC(C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000408505748 164353550 /nfs/dbraw/zinc/35/35/50/164353550.db2.gz XZKZMDLIHWEZJA-UHFFFAOYSA-N 0 2 321.402 1.830 20 30 DDEDLN COC(=O)C[C@@H](C)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000349808497 409910983 /nfs/dbraw/zinc/91/09/83/409910983.db2.gz SEJZMNDBOHLGKB-SSDOTTSWSA-N 0 2 309.347 1.062 20 30 DDEDLN CN(C)C(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000342909736 409991219 /nfs/dbraw/zinc/99/12/19/409991219.db2.gz DJJCDWYEUUNBFS-UHFFFAOYSA-N 0 2 308.301 1.107 20 30 DDEDLN COc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c(C)c1OC ZINC000351296308 410057717 /nfs/dbraw/zinc/05/77/17/410057717.db2.gz CZFLYZMURMEMCR-UHFFFAOYSA-N 0 2 311.301 1.731 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1nc2n(n1)CCCC2 ZINC000333056112 410330870 /nfs/dbraw/zinc/33/08/70/410330870.db2.gz HNQUOZYJASPNCP-UHFFFAOYSA-N 0 2 317.374 1.595 20 30 DDEDLN CCN=C1NC(=O)C(CC(=O)Nc2ccc(C(C)=O)cc2)S1 ZINC000298758417 410386195 /nfs/dbraw/zinc/38/61/95/410386195.db2.gz WGKPVVQYXDVBJF-LBPRGKRZSA-N 0 2 319.386 1.825 20 30 DDEDLN CCN=C1NC(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S1 ZINC000298758417 410386200 /nfs/dbraw/zinc/38/62/00/410386200.db2.gz WGKPVVQYXDVBJF-LBPRGKRZSA-N 0 2 319.386 1.825 20 30 DDEDLN C=C[C@H](C)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000353305569 410912026 /nfs/dbraw/zinc/91/20/26/410912026.db2.gz NHZVEYBXHXFZCE-NSHDSACASA-N 0 2 301.350 1.757 20 30 DDEDLN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000362827107 418760068 /nfs/dbraw/zinc/76/00/68/418760068.db2.gz RWOSQHKTJLBHDR-RYUDHWBXSA-N 0 2 316.386 1.942 20 30 DDEDLN Cc1ccc(N2CCC(=C([O-])[NH+]=C3C[C@@H](C)ON3)C2=O)cc1 ZINC000372326852 418856376 /nfs/dbraw/zinc/85/63/76/418856376.db2.gz VYHXMQNUKAOZOH-DGCLKSJQSA-N 0 2 301.346 1.586 20 30 DDEDLN Cc1cc(NS(=O)(=O)CCOCC2CC2)nn1CCC#N ZINC000424066431 228224412 /nfs/dbraw/zinc/22/44/12/228224412.db2.gz SQSMBQFYMDRTEK-UHFFFAOYSA-N 0 2 312.395 1.274 20 30 DDEDLN CCc1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)n(C)n1 ZINC000427754856 419727157 /nfs/dbraw/zinc/72/71/57/419727157.db2.gz DBYJMMPXRJHHRT-UHFFFAOYSA-N 0 2 308.338 1.794 20 30 DDEDLN Cc1ccc(C#N)cc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000437667851 420418176 /nfs/dbraw/zinc/41/81/76/420418176.db2.gz QVIBMVFDAPSZMA-UHFFFAOYSA-N 0 2 302.359 1.810 20 30 DDEDLN CCC[C@@H](C#N)NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000524816631 421274866 /nfs/dbraw/zinc/27/48/66/421274866.db2.gz WCSNGGHDMSPEBQ-QMMMGPOBSA-N 0 2 301.306 1.167 20 30 DDEDLN N#CCc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000531653193 421641266 /nfs/dbraw/zinc/64/12/66/421641266.db2.gz ULBSFWMQVIUJFC-UHFFFAOYSA-N 0 2 318.314 1.857 20 30 DDEDLN Cc1nc(C)c(S(=O)(=O)Nc2ncc(C#N)s2)s1 ZINC000610725193 422471687 /nfs/dbraw/zinc/47/16/87/422471687.db2.gz MEPGBWCNMZGZPP-UHFFFAOYSA-N 0 2 300.390 1.889 20 30 DDEDLN N#Cc1cnc(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c(Cl)c1 ZINC000370751609 268310528 /nfs/dbraw/zinc/31/05/28/268310528.db2.gz WYMRHAVPWDVVQG-SECBINFHSA-N 0 2 304.741 1.814 20 30 DDEDLN CN1CCC[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1=O ZINC000330862348 289938198 /nfs/dbraw/zinc/93/81/98/289938198.db2.gz QJIXFLXBZLBXHM-MRVPVSSYSA-N 0 2 302.252 1.735 20 30 DDEDLN Cc1ncc(NS(=O)(=O)c2cncc(C#N)c2)c(C2CC2)n1 ZINC000578809275 308486714 /nfs/dbraw/zinc/48/67/14/308486714.db2.gz FNENGJXJNURTNC-UHFFFAOYSA-N 0 2 315.358 1.730 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1CNC(=O)C1=NN(c2ccccc2)CC1=O ZINC000563710069 334916480 /nfs/dbraw/zinc/91/64/80/334916480.db2.gz XWYJBDCWJPZMRJ-WFASDCNBSA-N 0 2 313.357 1.899 20 30 DDEDLN C[C@@H](C#N)CNC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000547535653 341221205 /nfs/dbraw/zinc/22/12/05/341221205.db2.gz RIKGHXBZTXSEJQ-QMMMGPOBSA-N 0 2 305.363 1.698 20 30 DDEDLN Cn1nnc2c1nccc2C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000338626728 534339371 /nfs/dbraw/zinc/33/93/71/534339371.db2.gz TZXGYUHIHOPGAY-JTQLQIEISA-N 0 2 317.312 1.730 20 30 DDEDLN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000331286950 528622063 /nfs/dbraw/zinc/62/20/63/528622063.db2.gz AFIMQZVNEWPYEO-RYUDHWBXSA-N 0 2 320.397 1.045 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@@H](CC(=O)[O-])C1 ZINC000819091158 597051168 /nfs/dbraw/zinc/05/11/68/597051168.db2.gz PHCSNLDNYQEHJM-NSHDSACASA-N 0 2 314.349 1.431 20 30 DDEDLN COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CC(=O)[O-])CC1 ZINC000737577612 600565947 /nfs/dbraw/zinc/56/59/47/600565947.db2.gz ABNVJTFTLLNTIL-MRXNPFEDSA-N 0 2 316.357 1.959 20 30 DDEDLN CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739404227 602835938 /nfs/dbraw/zinc/83/59/38/602835938.db2.gz PEAOLOKYGNITQK-AGIUHOORSA-N 0 2 310.398 1.067 20 30 DDEDLN C=CCOc1ccc(C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)cc1OC ZINC000819720448 604629993 /nfs/dbraw/zinc/62/99/93/604629993.db2.gz ZEUMKJRQQGPSKL-OAHLLOKOSA-N 0 2 307.346 1.545 20 30 DDEDLN C=CCOc1ccc(C[N@H+]2CCO[C@@H](C(=O)[O-])C2)cc1OC ZINC000819720448 604630000 /nfs/dbraw/zinc/63/00/00/604630000.db2.gz ZEUMKJRQQGPSKL-OAHLLOKOSA-N 0 2 307.346 1.545 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)COCCc1ccccc1 ZINC000122768264 696724918 /nfs/dbraw/zinc/72/49/18/696724918.db2.gz AFKBOCKWQKKCHA-CQSZACIVSA-N 0 2 311.341 1.571 20 30 DDEDLN CN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000745428753 699981842 /nfs/dbraw/zinc/98/18/42/699981842.db2.gz YBAZGVPTGRJIFL-NSHDSACASA-N 0 2 302.359 1.073 20 30 DDEDLN C=CCc1cc(C(=O)NCc2n[nH]c(=O)[nH]2)cc(OC)c1OC ZINC000748006076 700095136 /nfs/dbraw/zinc/09/51/36/700095136.db2.gz CRUILERIQVRMMH-UHFFFAOYSA-N 0 2 318.333 1.186 20 30 DDEDLN C/N=C1/S[C@@H](CC(=O)NCCc2ccccc2F)C(=O)N1C ZINC000128587827 696780509 /nfs/dbraw/zinc/78/05/09/696780509.db2.gz NXZBIJFPCXLZGG-FUYOWACXSA-N 0 2 323.393 1.434 20 30 DDEDLN C#CCCOC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000132130856 696811882 /nfs/dbraw/zinc/81/18/82/696811882.db2.gz LCXFVNOMLWVVFA-UHFFFAOYSA-N 0 2 302.355 1.885 20 30 DDEDLN C#CCOCCC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000186659444 697535885 /nfs/dbraw/zinc/53/58/85/697535885.db2.gz DOHIWGKBEVFVFO-UHFFFAOYSA-N 0 2 314.345 1.040 20 30 DDEDLN C#C[C@H](NC(=O)c1c[nH]c2nc(C)ccc2c1=O)[C@H]1CCCO1 ZINC000776271112 698090174 /nfs/dbraw/zinc/09/01/74/698090174.db2.gz YHYIUQCIIZSODB-UONOGXRCSA-N 0 2 311.341 1.554 20 30 DDEDLN C[C@H](C#N)Oc1ccccc1NC(=O)CC1SC(=N)NC1=O ZINC000781034121 698584750 /nfs/dbraw/zinc/58/47/50/698584750.db2.gz HIEYLGRGUHIRQY-KCJUWKMLSA-N 0 2 318.358 1.472 20 30 DDEDLN N#Cc1ccc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)cc1O ZINC000785410331 699074302 /nfs/dbraw/zinc/07/43/02/699074302.db2.gz XKHYRARLHHTVLL-UHFFFAOYSA-N 0 2 319.324 1.979 20 30 DDEDLN N#Cc1ccc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1O ZINC000785410331 699074305 /nfs/dbraw/zinc/07/43/05/699074305.db2.gz XKHYRARLHHTVLL-UHFFFAOYSA-N 0 2 319.324 1.979 20 30 DDEDLN COCc1ncsc1C(=O)[C@H](C#N)C(=O)Nc1ccccn1 ZINC000793121581 699733971 /nfs/dbraw/zinc/73/39/71/699733971.db2.gz DYKAQIORYWOUAH-VIFPVBQESA-N 0 2 316.342 1.646 20 30 DDEDLN N#CC(C(=O)CN1C(=O)CCc2ccccc21)c1ccncn1 ZINC000760345660 700803683 /nfs/dbraw/zinc/80/36/83/700803683.db2.gz MEESPODXKGUKLO-CYBMUJFWSA-N 0 2 306.325 1.632 20 30 DDEDLN N#C[C@@H](C(=O)CN1C(=O)CCc2ccccc21)c1ccncn1 ZINC000760345660 700803686 /nfs/dbraw/zinc/80/36/86/700803686.db2.gz MEESPODXKGUKLO-CYBMUJFWSA-N 0 2 306.325 1.632 20 30 DDEDLN N#CC(C(=O)CN1C(=O)CSc2ccccc21)c1ccncn1 ZINC000760356548 700804537 /nfs/dbraw/zinc/80/45/37/700804537.db2.gz IGJOMIXYGOZENU-LLVKDONJSA-N 0 2 324.365 1.792 20 30 DDEDLN N#C[C@@H](C(=O)CN1C(=O)CSc2ccccc21)c1ccncn1 ZINC000760356548 700804540 /nfs/dbraw/zinc/80/45/40/700804540.db2.gz IGJOMIXYGOZENU-LLVKDONJSA-N 0 2 324.365 1.792 20 30 DDEDLN CN(C(=O)C(F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000810392818 701763461 /nfs/dbraw/zinc/76/34/61/701763461.db2.gz ACCUULSUPHCUGU-PHDIDXHHSA-N 0 2 324.196 1.508 20 30 DDEDLN CN(C(=O)[C@@H](F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000810392818 701763463 /nfs/dbraw/zinc/76/34/63/701763463.db2.gz ACCUULSUPHCUGU-PHDIDXHHSA-N 0 2 324.196 1.508 20 30 DDEDLN N#Cc1cnc(N2CC(CNC(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000866294506 706667505 /nfs/dbraw/zinc/66/75/05/706667505.db2.gz QVGIVFOWHYEDSW-UHFFFAOYSA-N 0 2 318.686 1.721 20 30 DDEDLN CC(=NNC1=NCCN1)c1cc(Br)c(F)cc1O ZINC000841661852 702523893 /nfs/dbraw/zinc/52/38/93/702523893.db2.gz SRSJKVGPSIWUKG-UHFFFAOYSA-N 0 2 315.146 1.567 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@@H]1OCc2ccccc21 ZINC000847664896 703450004 /nfs/dbraw/zinc/45/00/04/703450004.db2.gz MMGAIZTUCNOMCZ-HIFRSBDPSA-N 0 2 309.325 1.973 20 30 DDEDLN Cc1ccn2ncnc2c1NS(=O)(=O)c1cccc(C#N)c1 ZINC000820800089 704332490 /nfs/dbraw/zinc/33/24/90/704332490.db2.gz WFLFCFZOABJYSU-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN N#CC1(NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)CC1 ZINC000859405497 704892117 /nfs/dbraw/zinc/89/21/17/704892117.db2.gz YFWWZVAFICLGGF-UHFFFAOYSA-N 0 2 301.224 1.244 20 30 DDEDLN N#C[C@@H](C(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1nc2ccccc2o1 ZINC000826379520 705796407 /nfs/dbraw/zinc/79/64/07/705796407.db2.gz UJBXLYQUTKTPQT-VIFPVBQESA-N 0 2 319.284 1.826 20 30 DDEDLN N#CC(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1nc2ccccc2o1 ZINC000826379520 705796410 /nfs/dbraw/zinc/79/64/10/705796410.db2.gz UJBXLYQUTKTPQT-VIFPVBQESA-N 0 2 319.284 1.826 20 30 DDEDLN CC(C)(CCN1CCOCC1)NC(=O)c1ccc(C#N)c(O)c1 ZINC000912951077 713133079 /nfs/dbraw/zinc/13/30/79/713133079.db2.gz FELDMKALBSPKBU-UHFFFAOYSA-N 0 2 317.389 1.495 20 30 DDEDLN C=CCCC[C@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)C(=O)[O-] ZINC000910917055 710118737 /nfs/dbraw/zinc/11/87/37/710118737.db2.gz LJYYUJYNOHGCIX-NEPJUHHUSA-N 0 2 300.424 1.349 20 30 DDEDLN CC(C)(C#N)C(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001143401736 734428859 /nfs/dbraw/zinc/42/88/59/734428859.db2.gz XJVIBIPREYKPFZ-UHFFFAOYSA-N 0 2 324.300 1.461 20 30 DDEDLN CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087306834 736011633 /nfs/dbraw/zinc/01/16/33/736011633.db2.gz OYXGBRIMCHAADR-OIISXLGYSA-N 0 2 314.433 1.581 20 30 DDEDLN CN(CCN(C)c1nccnc1C#N)C(=O)C(F)C(F)(F)F ZINC001105589008 742131745 /nfs/dbraw/zinc/13/17/45/742131745.db2.gz FSQMRUQXMCHWCI-VIFPVBQESA-N 0 2 319.262 1.143 20 30 DDEDLN CN(CCN(C)c1nccnc1C#N)C(=O)[C@H](F)C(F)(F)F ZINC001105589008 742131747 /nfs/dbraw/zinc/13/17/47/742131747.db2.gz FSQMRUQXMCHWCI-VIFPVBQESA-N 0 2 319.262 1.143 20 30 DDEDLN C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001076029441 742498678 /nfs/dbraw/zinc/49/86/78/742498678.db2.gz MOEDIDAWQOIAPN-WMLDXEAASA-N 0 2 321.384 1.047 20 30 DDEDLN N#Cc1cc2cccnc2nc1NC(=O)C(CO)C(F)(F)F ZINC001183279586 743806415 /nfs/dbraw/zinc/80/64/15/743806415.db2.gz PETCTAFZFWOJKL-VIFPVBQESA-N 0 2 310.235 1.611 20 30 DDEDLN N#Cc1cc2cccnc2nc1NC(=O)[C@H](CO)C(F)(F)F ZINC001183279586 743806419 /nfs/dbraw/zinc/80/64/19/743806419.db2.gz PETCTAFZFWOJKL-VIFPVBQESA-N 0 2 310.235 1.611 20 30 DDEDLN C[C@@H](C#N)S(=O)(=O)Nc1cnc2cc(C3CCC3)nn2c1 ZINC001193110681 745981601 /nfs/dbraw/zinc/98/16/01/745981601.db2.gz AUAGVJQBRSORAB-VIFPVBQESA-N 0 2 305.363 1.651 20 30 DDEDLN CCOC(=O)c1cc(NC(=O)c2cccc(C#N)c2O)n(C)n1 ZINC001193643134 746159845 /nfs/dbraw/zinc/15/98/45/746159845.db2.gz XEKKGNSPKONIRB-UHFFFAOYSA-N 0 2 314.301 1.426 20 30 DDEDLN COCCOc1cc(NC(=O)c2cccc(C#N)c2O)ccn1 ZINC001193642247 746160073 /nfs/dbraw/zinc/16/00/73/746160073.db2.gz DNCIVGDVMUZIML-UHFFFAOYSA-N 0 2 313.313 1.936 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)c1O ZINC001193652794 746166818 /nfs/dbraw/zinc/16/68/18/746166818.db2.gz OZCVYKZTSHJLHE-UHFFFAOYSA-N 0 2 322.280 1.871 20 30 DDEDLN CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994267487 746554159 /nfs/dbraw/zinc/55/41/59/746554159.db2.gz KFCDGSDODPKLAO-GDBMZVCRSA-N 0 2 314.433 1.754 20 30 DDEDLN COc1ccc(F)c(S(=O)(=O)Nc2cnc(C#N)nc2)c1 ZINC001196722220 746944463 /nfs/dbraw/zinc/94/44/63/746944463.db2.gz AYPYBJQLTJRHCW-UHFFFAOYSA-N 0 2 308.294 1.297 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)Cc2c(F)cccc2F)CCC1=O ZINC001197591092 747213879 /nfs/dbraw/zinc/21/38/79/747213879.db2.gz WHBOMKBLTLRJIA-SECBINFHSA-N 0 2 314.313 1.209 20 30 DDEDLN C=CC[N@H+]1CCO[C@](C)(CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001108346419 761948809 /nfs/dbraw/zinc/94/88/09/761948809.db2.gz KBQAUHXNVBMJPZ-QGZVFWFLSA-N 0 2 318.421 1.154 20 30 DDEDLN N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001097258723 757025038 /nfs/dbraw/zinc/02/50/38/757025038.db2.gz ZUYWMXLPXIJBCV-NGZCFLSTSA-N 0 2 316.258 1.335 20 30 DDEDLN N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001097258723 757025046 /nfs/dbraw/zinc/02/50/46/757025046.db2.gz ZUYWMXLPXIJBCV-NGZCFLSTSA-N 0 2 316.258 1.335 20 30 DDEDLN C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001084975643 758114873 /nfs/dbraw/zinc/11/48/73/758114873.db2.gz MTJMNSNIAPQHME-INMHGKMJSA-N 0 2 314.433 1.554 20 30 DDEDLN N#CCN1CC[C@]2(C1)CCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001054136034 759211797 /nfs/dbraw/zinc/21/17/97/759211797.db2.gz NVDYHIAQRLMACE-JQWIXIFHSA-N 0 2 307.291 1.725 20 30 DDEDLN N#CCN1CC[C@]2(C1)CCCN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001054136034 759211803 /nfs/dbraw/zinc/21/18/03/759211803.db2.gz NVDYHIAQRLMACE-JQWIXIFHSA-N 0 2 307.291 1.725 20 30 DDEDLN C[C@@H](CNc1nccnc1C#N)NC(=O)C(F)C(F)(F)F ZINC001108739690 762897048 /nfs/dbraw/zinc/89/70/48/762897048.db2.gz NRLOLDRWXNHESH-POYBYMJQSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNc1nccnc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001108739690 762897053 /nfs/dbraw/zinc/89/70/53/762897053.db2.gz NRLOLDRWXNHESH-POYBYMJQSA-N 0 2 305.235 1.165 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CCCOCC1 ZINC001121596131 782582439 /nfs/dbraw/zinc/58/24/39/782582439.db2.gz KNTTWXPVMNOUAL-UHFFFAOYSA-N 0 2 318.381 1.280 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132330443 768757873 /nfs/dbraw/zinc/75/78/73/768757873.db2.gz HKGNNZJNFGIUAQ-NEPJUHHUSA-N 0 2 321.425 1.582 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132330443 768757876 /nfs/dbraw/zinc/75/78/76/768757876.db2.gz HKGNNZJNFGIUAQ-NEPJUHHUSA-N 0 2 321.425 1.582 20 30 DDEDLN N#Cc1cccnc1N1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001096490344 770458809 /nfs/dbraw/zinc/45/88/09/770458809.db2.gz APVWFKADKOOMCB-NXEZZACHSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1cccnc1N1CC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001096490344 770458814 /nfs/dbraw/zinc/45/88/14/770458814.db2.gz APVWFKADKOOMCB-NXEZZACHSA-N 0 2 316.258 1.549 20 30 DDEDLN Cc1nc(NCCNC(=O)C(F)C(F)(F)F)ccc1C#N ZINC001094183039 775547368 /nfs/dbraw/zinc/54/73/68/775547368.db2.gz XMOFLHZHNZCTSG-JTQLQIEISA-N 0 2 304.247 1.690 20 30 DDEDLN Cc1nc(NCCNC(=O)[C@H](F)C(F)(F)F)ccc1C#N ZINC001094183039 775547377 /nfs/dbraw/zinc/54/73/77/775547377.db2.gz XMOFLHZHNZCTSG-JTQLQIEISA-N 0 2 304.247 1.690 20 30 DDEDLN C#C[C@H](Oc1nc(I)cc(=O)[nH]1)C(C)C ZINC001228950949 844412098 /nfs/dbraw/zinc/41/20/98/844412098.db2.gz QRLZXOMGJGQSGK-ZETCQYMHSA-N 0 2 318.114 1.823 20 30 DDEDLN C=CCS(=O)(=O)Nc1nc(Br)cn2ccnc12 ZINC001259922434 856632024 /nfs/dbraw/zinc/63/20/24/856632024.db2.gz HRDJLXNNHPAOIF-UHFFFAOYSA-N 0 2 317.168 1.420 20 30 DDEDLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C#CCOC ZINC001330137579 864098597 /nfs/dbraw/zinc/09/85/97/864098597.db2.gz XTQXXPHATRVHSS-UHFFFAOYSA-N 0 2 319.386 1.785 20 30 DDEDLN C#CC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)C(=O)[O-] ZINC001333348016 866656273 /nfs/dbraw/zinc/65/62/73/866656273.db2.gz WGEOKGFQNNKCBS-GJZGRUSLSA-N 0 2 315.373 1.029 20 30 DDEDLN C#CC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)C(=O)[O-] ZINC001333348016 866656280 /nfs/dbraw/zinc/65/62/80/866656280.db2.gz WGEOKGFQNNKCBS-GJZGRUSLSA-N 0 2 315.373 1.029 20 30 DDEDLN CCOC(=O)[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)C(F)(F)F ZINC001226223552 882289668 /nfs/dbraw/zinc/28/96/68/882289668.db2.gz QWCIKFNYRQFNHT-SECBINFHSA-N 0 2 304.224 1.840 20 30 DDEDLN C#C[C@H](CO)NC(=O)c1cc(Br)c(F)cc1O ZINC001298587023 870634886 /nfs/dbraw/zinc/63/48/86/870634886.db2.gz XDQNLGZFDIFHQM-ZCFIWIBFSA-N 0 2 302.099 1.018 20 30 DDEDLN CCOc1cc(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)on1 ZINC001306906977 871377705 /nfs/dbraw/zinc/37/77/05/871377705.db2.gz KMLKNNXZQAMJQS-UHFFFAOYSA-N 0 2 324.300 1.982 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1c[nH]c2cnccc12 ZINC001344654032 873065094 /nfs/dbraw/zinc/06/50/94/873065094.db2.gz FVKRSOBQZXPZOJ-GFCCVEGCSA-N 0 2 307.313 1.431 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001352093273 876594813 /nfs/dbraw/zinc/59/48/13/876594813.db2.gz HZRLHALHEGNTOH-RKDXNWHRSA-N 0 2 305.773 1.749 20 30 DDEDLN C[C@@H](C#N)C(=O)N[C@@H](CNC(=O)c1[nH]ncc1F)C1CCCC1 ZINC001379586123 877453123 /nfs/dbraw/zinc/45/31/23/877453123.db2.gz OOUCSCROELJZMG-CABZTGNLSA-N 0 2 321.356 1.113 20 30 DDEDLN N#Cc1cc(F)c(NC(=O)[C@H]([NH3+])Cc2c[nH+]c[nH]2)c(Cl)c1 ZINC001218994280 877858750 /nfs/dbraw/zinc/85/87/50/877858750.db2.gz BXSPSZHGVMTFCA-LLVKDONJSA-N 0 2 307.716 1.582 20 30 DDEDLN N#Cc1ccccc1C(F)(F)C(=O)NC1(c2nn[nH]n2)CCC1 ZINC001363276994 885889597 /nfs/dbraw/zinc/88/95/97/885889597.db2.gz IJWAHFHSTXSCQF-UHFFFAOYSA-N 0 2 318.287 1.359 20 30 DDEDLN C[C@H](C#N)C(=O)NCCC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001383909497 886714669 /nfs/dbraw/zinc/71/46/69/886714669.db2.gz ONUQISDLQZESDK-BDAKNGLRSA-N 0 2 323.290 1.449 20 30 DDEDLN C[C@H](C#N)C(=O)NCCC1(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001383909497 886714684 /nfs/dbraw/zinc/71/46/84/886714684.db2.gz ONUQISDLQZESDK-BDAKNGLRSA-N 0 2 323.290 1.449 20 30 DDEDLN C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001384550054 887665596 /nfs/dbraw/zinc/66/55/96/887665596.db2.gz ZENSTFALOAWXIU-RBXMUDONSA-N 0 2 309.263 1.057 20 30 DDEDLN C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001384550054 887665610 /nfs/dbraw/zinc/66/56/10/887665610.db2.gz ZENSTFALOAWXIU-RBXMUDONSA-N 0 2 309.263 1.057 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccnn1[C@@H]1CCOC1 ZINC001365043081 889965262 /nfs/dbraw/zinc/96/52/62/889965262.db2.gz DTKGMDWKZSMMJL-LLVKDONJSA-N 0 2 313.317 1.378 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2cc(F)cc(Br)c2)c1=O ZINC001365258385 890449204 /nfs/dbraw/zinc/44/92/04/890449204.db2.gz BNMDROFICMQYBU-UHFFFAOYSA-N 0 2 324.109 1.358 20 30 DDEDLN C=C(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001278509947 893752325 /nfs/dbraw/zinc/75/23/25/893752325.db2.gz HQJJXNBLAYBQJO-NEPJUHHUSA-N 0 2 307.398 1.336 20 30 DDEDLN C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001278509947 893752331 /nfs/dbraw/zinc/75/23/31/893752331.db2.gz HQJJXNBLAYBQJO-NEPJUHHUSA-N 0 2 307.398 1.336 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccnn2C2COC2)cc1 ZINC001258039583 898029394 /nfs/dbraw/zinc/02/93/94/898029394.db2.gz VRDRCIWVEKPACC-UHFFFAOYSA-N 0 2 304.331 1.127 20 30 DDEDLN N#Cc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)n1 ZINC001259377596 898642622 /nfs/dbraw/zinc/64/26/22/898642622.db2.gz HMDLVZUSXJXDEM-UHFFFAOYSA-N 0 2 316.298 1.601 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)Cc2ccccc2Cl)cn1 ZINC001260689807 899220141 /nfs/dbraw/zinc/22/01/41/899220141.db2.gz YBRHPXYCPLDMFB-UHFFFAOYSA-N 0 2 308.750 1.944 20 30 DDEDLN C#CCC[NH+]1CCN(C(=O)c2ccc(/C=C/C(=O)[O-])o2)CC1 ZINC001262180911 900004293 /nfs/dbraw/zinc/00/42/93/900004293.db2.gz UBPJHDFAOKAJKR-FNORWQNLSA-N 0 2 302.330 1.159 20 30 DDEDLN C=C[C@H](CC)CC(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001284913879 909723111 /nfs/dbraw/zinc/72/31/11/909723111.db2.gz SLHZHYURUKSSDY-LDYMZIIASA-N 0 2 310.291 1.816 20 30 DDEDLN C=C[C@H](CC)CC(=O)N1CC(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001284913879 909723121 /nfs/dbraw/zinc/72/31/21/909723121.db2.gz SLHZHYURUKSSDY-LDYMZIIASA-N 0 2 310.291 1.816 20 30 DDEDLN CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC001285004514 909925786 /nfs/dbraw/zinc/92/57/86/909925786.db2.gz VARAYPMTFYAYSK-JBLDHEPKSA-N 0 2 320.286 1.358 20 30 DDEDLN CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)C(F)(F)F ZINC001285004514 909925795 /nfs/dbraw/zinc/92/57/95/909925795.db2.gz VARAYPMTFYAYSK-JBLDHEPKSA-N 0 2 320.286 1.358 20 30 DDEDLN CC(C)C#CC(=O)N[C@@H]1[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]21 ZINC001295340229 915727542 /nfs/dbraw/zinc/72/75/42/915727542.db2.gz SCJMUENRTWXGQL-LLHIFLOGSA-N 0 2 320.286 1.119 20 30 DDEDLN CC(C)C#CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]21 ZINC001295340229 915727550 /nfs/dbraw/zinc/72/75/50/915727550.db2.gz SCJMUENRTWXGQL-LLHIFLOGSA-N 0 2 320.286 1.119 20 30 DDEDLN COc1cc(C#N)ccc1C(=O)NN1C(=O)c2ccccc2C1=O ZINC001296102604 916236232 /nfs/dbraw/zinc/23/62/32/916236232.db2.gz RKUIPGGSQCTZTB-UHFFFAOYSA-N 0 2 321.292 1.508 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCOC[C@H]2C)cc1C#N ZINC000432555609 295688955 /nfs/dbraw/zinc/68/89/55/295688955.db2.gz HSROHWZZQMRFMJ-LDYMZIIASA-N 0 2 307.375 1.536 20 30 DDEDLN N#Cc1nc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)[nH]c1C#N ZINC000047475551 352498337 /nfs/dbraw/zinc/49/83/37/352498337.db2.gz IRNULYODDWYCHW-JTQLQIEISA-N 0 2 320.312 1.145 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(C3(C#N)CC3)cc2)[nH]c1C#N ZINC000181880453 354270750 /nfs/dbraw/zinc/27/07/50/354270750.db2.gz MQGAERQYHHTISY-UHFFFAOYSA-N 0 2 302.297 1.961 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cnn(CC3CC3)c2)cc1C#N ZINC000589964136 355035292 /nfs/dbraw/zinc/03/52/92/355035292.db2.gz XIYWTDXOCNAENA-UHFFFAOYSA-N 0 2 317.374 1.669 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2COC(C)(C)C2)cc1C#N ZINC000597861582 357362325 /nfs/dbraw/zinc/36/23/25/357362325.db2.gz KHJUFAWVXIHXOJ-SECBINFHSA-N 0 2 307.375 1.678 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@@H](O)C23CCC3)cc1C#N ZINC000598314551 357536845 /nfs/dbraw/zinc/53/68/45/357536845.db2.gz YBRLDMOINXCHOV-WDEREUQCSA-N 0 2 319.386 1.414 20 30 DDEDLN C[C@](C#N)(NC(=O)CN1CCCC[C@@H]1c1n[nH]c(=O)[nH]1)C1CC1 ZINC000329608603 223001135 /nfs/dbraw/zinc/00/11/35/223001135.db2.gz QWELDQHRTHQVLP-IAQYHMDHSA-N 0 2 318.381 1.686 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCCSCC2)cc1C#N ZINC000063760982 407235709 /nfs/dbraw/zinc/23/57/09/407235709.db2.gz ISHXTGZFGKYLRW-UHFFFAOYSA-N 0 2 309.416 1.960 20 30 DDEDLN CC[C@@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)[C@@H]1CCCO1 ZINC000152536107 407651198 /nfs/dbraw/zinc/65/11/98/407651198.db2.gz DJMIACJUCMMXTL-NEPJUHHUSA-N 0 2 321.402 1.656 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N/C[C@H]2COC3(CCOCC3)O2)c1 ZINC000271981842 407744367 /nfs/dbraw/zinc/74/43/67/407744367.db2.gz ZCJGKKOYOZBLEB-MJOIQJIUSA-N 0 2 322.317 1.641 20 30 DDEDLN Cn1cc(CNC(=O)C(F)(F)C(F)F)c(C(F)(F)F)n1 ZINC000269591140 408354944 /nfs/dbraw/zinc/35/49/44/408354944.db2.gz BZZABJZNQSMBTF-UHFFFAOYSA-N 0 2 307.169 1.956 20 30 DDEDLN N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)nc1 ZINC000293839833 409190891 /nfs/dbraw/zinc/19/08/91/409190891.db2.gz WKTYWUONKPGKEY-KOLCDFICSA-N 0 2 317.242 1.833 20 30 DDEDLN N#Cc1ccc(O[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)nc1 ZINC000293839833 409190894 /nfs/dbraw/zinc/19/08/94/409190894.db2.gz WKTYWUONKPGKEY-KOLCDFICSA-N 0 2 317.242 1.833 20 30 DDEDLN CC1(C#N)CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000280606314 409377729 /nfs/dbraw/zinc/37/77/29/409377729.db2.gz ZAMMOZRFURGEHU-UHFFFAOYSA-N 0 2 300.293 1.703 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1ncc(CC(=O)OCC)s1 ZINC000296542795 409609797 /nfs/dbraw/zinc/60/97/97/409609797.db2.gz FKLDGUHXVRYFRI-UHFFFAOYSA-N 0 2 318.420 1.957 20 30 DDEDLN N#C[C@H](C(=O)c1ccnc(N2CCCCC2)n1)c1ccncn1 ZINC000354472507 409881178 /nfs/dbraw/zinc/88/11/78/409881178.db2.gz UMFACVAONJMSEN-LBPRGKRZSA-N 0 2 308.345 1.747 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1C#N ZINC000357249715 409953144 /nfs/dbraw/zinc/95/31/44/409953144.db2.gz XWZZVDMJRIBMAM-ZDUSSCGKSA-N 0 2 304.313 1.782 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cc(F)ccc2-n2cccn2)c1C#N ZINC000357266571 409953693 /nfs/dbraw/zinc/95/36/93/409953693.db2.gz XWEHQMVZBORGGH-UHFFFAOYSA-N 0 2 310.292 2.167 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@@H](c2ccccc2)n2cccn2)c1C#N ZINC000357230042 409949630 /nfs/dbraw/zinc/94/96/30/409949630.db2.gz JSQUDYJHBBXEFV-CQSZACIVSA-N 0 2 306.329 2.014 20 30 DDEDLN O=C(NCCc1cn2ccccc2[nH+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329281900 410211166 /nfs/dbraw/zinc/21/11/66/410211166.db2.gz FEWHCBGBKXJRHJ-CQSZACIVSA-N 0 2 313.405 1.617 20 30 DDEDLN CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCC[N@H+](C)C1CC1)C2 ZINC000329281043 410210524 /nfs/dbraw/zinc/21/05/24/410210524.db2.gz MJAMTWSXGBMIAP-UHFFFAOYSA-N 0 2 319.453 1.910 20 30 DDEDLN Cc1cc(N=C([O-])[C@@H]2COCC[N@@H+]2C2CCCC2)cn(C)c1=O ZINC000329554185 410358110 /nfs/dbraw/zinc/35/81/10/410358110.db2.gz PXUKHHSZGCRBKH-HNNXBMFYSA-N 0 2 319.405 1.925 20 30 DDEDLN Cc1cc(N=C([O-])[C@@H]2COCC[N@H+]2C2CCCC2)cn(C)c1=O ZINC000329554185 410358114 /nfs/dbraw/zinc/35/81/14/410358114.db2.gz PXUKHHSZGCRBKH-HNNXBMFYSA-N 0 2 319.405 1.925 20 30 DDEDLN CC/N=C1/NC(=O)C(CC(=O)Nc2ccc(N(C)C)cc2)S1 ZINC000298794622 410403389 /nfs/dbraw/zinc/40/33/89/410403389.db2.gz BNKIKSDAGCMVSA-GFCCVEGCSA-N 0 2 320.418 1.689 20 30 DDEDLN CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(N(C)C)cc2)S1 ZINC000298794622 410403392 /nfs/dbraw/zinc/40/33/92/410403392.db2.gz BNKIKSDAGCMVSA-GFCCVEGCSA-N 0 2 320.418 1.689 20 30 DDEDLN COCc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cc1 ZINC000352857772 410680162 /nfs/dbraw/zinc/68/01/62/410680162.db2.gz JQWXDDFIOQDQAX-UHFFFAOYSA-N 0 2 303.343 1.900 20 30 DDEDLN COC(=O)c1cc(S(=O)(=O)Nc2cc(C#N)ccn2)cs1 ZINC000352879446 410685842 /nfs/dbraw/zinc/68/58/42/410685842.db2.gz WXMKEPMHFAWYTH-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000359794770 410885294 /nfs/dbraw/zinc/88/52/94/410885294.db2.gz CHOOSGGHHLFTHE-ZDUSSCGKSA-N 0 2 315.333 1.102 20 30 DDEDLN C=CCN(CCOC)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000361080862 418579319 /nfs/dbraw/zinc/57/93/19/418579319.db2.gz UTZQGSDABPLVIB-UHFFFAOYSA-N 0 2 318.333 1.019 20 30 DDEDLN C=C[C@@](C)(O)CC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000290709843 418578052 /nfs/dbraw/zinc/57/80/52/418578052.db2.gz KFMJGRCBAXSOJI-MRXNPFEDSA-N 0 2 316.361 1.327 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1nc(C)c(C)o1 ZINC000362120317 418749512 /nfs/dbraw/zinc/74/95/12/418749512.db2.gz VYKZWORMKJQTEY-UHFFFAOYSA-N 0 2 307.331 1.973 20 30 DDEDLN Cc1cn2ccnc(C(=O)[C@H](C#N)c3cc(C)nc(C)n3)c2n1 ZINC000433106964 229152670 /nfs/dbraw/zinc/15/26/70/229152670.db2.gz WZWOREHVDGLSFB-GFCCVEGCSA-N 0 2 306.329 1.935 20 30 DDEDLN Cc1cn2ccnc(C(=O)C(C#N)c3cc(C)nc(C)n3)c2n1 ZINC000433106964 229152672 /nfs/dbraw/zinc/15/26/72/229152672.db2.gz WZWOREHVDGLSFB-GFCCVEGCSA-N 0 2 306.329 1.935 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)s1 ZINC000435478509 229391113 /nfs/dbraw/zinc/39/11/13/229391113.db2.gz URLITLIHSYBXRI-UHFFFAOYSA-N 0 2 319.367 1.664 20 30 DDEDLN N#C[C@@H](C(=O)c1cn(Cc2ccccn2)nn1)c1ccccn1 ZINC000442654548 420695154 /nfs/dbraw/zinc/69/51/54/420695154.db2.gz PSUBOXWPVKJIPO-CYBMUJFWSA-N 0 2 304.313 1.606 20 30 DDEDLN N#CC(C(=O)c1cn(Cc2ccccn2)nn1)c1ccccn1 ZINC000442654548 420695157 /nfs/dbraw/zinc/69/51/57/420695157.db2.gz PSUBOXWPVKJIPO-CYBMUJFWSA-N 0 2 304.313 1.606 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2ccc(=O)[nH]c2)cc1C#N ZINC000349775331 269816576 /nfs/dbraw/zinc/81/65/76/269816576.db2.gz IXDQMXQJTHMFKC-UHFFFAOYSA-N 0 2 316.342 1.411 20 30 DDEDLN Cc1cc(=O)[nH]c2cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)ccc12 ZINC000347910856 267351253 /nfs/dbraw/zinc/35/12/53/267351253.db2.gz NKUSPPRSYTUFOP-UHFFFAOYSA-N 0 2 318.296 1.968 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)o1 ZINC000377559267 268209505 /nfs/dbraw/zinc/20/95/05/268209505.db2.gz BMZLTVXSPBWOCE-UHFFFAOYSA-N 0 2 311.344 1.481 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)o1 ZINC000357472814 268209894 /nfs/dbraw/zinc/20/98/94/268209894.db2.gz KVNISLKSVADAPX-UHFFFAOYSA-N 0 2 323.721 1.648 20 30 DDEDLN Cn1c(=O)[nH]c(NCCCSc2ccccc2)c(C#N)c1=O ZINC001120796790 782148247 /nfs/dbraw/zinc/14/82/47/782148247.db2.gz FNJIXIZPVFAXIP-UHFFFAOYSA-N 0 2 316.386 1.540 20 30 DDEDLN C#C[C@H](NS(=O)(=O)NCC(F)(F)F)c1ccc(F)cc1 ZINC000491728929 527412537 /nfs/dbraw/zinc/41/25/37/527412537.db2.gz MTQYAWSBWUWJNW-JTQLQIEISA-N 0 2 310.272 1.486 20 30 DDEDLN C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001120844074 782180380 /nfs/dbraw/zinc/18/03/80/782180380.db2.gz FARKNKJZHZXHJV-OIBJUYFYSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001120844074 782180386 /nfs/dbraw/zinc/18/03/86/782180386.db2.gz FARKNKJZHZXHJV-OIBJUYFYSA-N 0 2 319.262 1.507 20 30 DDEDLN COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000818500536 597078280 /nfs/dbraw/zinc/07/82/80/597078280.db2.gz PRAOZWTTYZZCII-CZUORRHYSA-N 0 2 316.357 1.959 20 30 DDEDLN COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000818500536 597078283 /nfs/dbraw/zinc/07/82/83/597078283.db2.gz PRAOZWTTYZZCII-CZUORRHYSA-N 0 2 316.357 1.959 20 30 DDEDLN C[C@](C#N)(CC(=O)[O-])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000819841579 597639826 /nfs/dbraw/zinc/63/98/26/597639826.db2.gz BIAYFMIQZKUVPX-MRXNPFEDSA-N 0 2 301.346 1.123 20 30 DDEDLN C=CCn1c(C)cc(C(=O)C[NH+]2CCC(O)(C(=O)[O-])CC2)c1C ZINC000833379518 604727257 /nfs/dbraw/zinc/72/72/57/604727257.db2.gz DUVSVWFKUCEHCF-UHFFFAOYSA-N 0 2 320.389 1.385 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2ccc(F)cc2Cl)cn1 ZINC000747407288 700068488 /nfs/dbraw/zinc/06/84/88/700068488.db2.gz PTUKLIYQMUNVMA-UHFFFAOYSA-N 0 2 314.729 2.000 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)NCC#N)cc2[nH]c1=S ZINC000104351604 696619918 /nfs/dbraw/zinc/61/99/18/696619918.db2.gz ZEPNMCBMLKSJQA-UHFFFAOYSA-N 0 2 300.343 1.125 20 30 DDEDLN N#Cc1ccc(CNC(=O)C2=NN(c3ccccc3)CC2=O)nc1 ZINC000782018992 698674320 /nfs/dbraw/zinc/67/43/20/698674320.db2.gz AJGVZVUKVXAVNB-UHFFFAOYSA-N 0 2 319.324 1.775 20 30 DDEDLN C#CCCCS(=O)(=O)Nc1nc(CC(=O)OCC)cs1 ZINC000710917785 699255479 /nfs/dbraw/zinc/25/54/79/699255479.db2.gz QJTUKBJONPCYLX-UHFFFAOYSA-N 0 2 316.404 1.404 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2n[nH]c(C)c2C)cc1C#N ZINC000728210654 699441570 /nfs/dbraw/zinc/44/15/70/699441570.db2.gz JTRQJVSFWMOECP-UHFFFAOYSA-N 0 2 303.347 1.973 20 30 DDEDLN COC[C@H](C)/N=C1/NC(=O)[C@@H](CC(=O)NCCC(C)C)S1 ZINC000732795843 699571141 /nfs/dbraw/zinc/57/11/41/699571141.db2.gz AIJXDENSJJKMOU-WDEREUQCSA-N 0 2 315.439 1.161 20 30 DDEDLN CNC(=O)CC1SC(=Nc2ccsc2)N(C2CC2)C1=O ZINC000790737881 699594774 /nfs/dbraw/zinc/59/47/74/699594774.db2.gz AYKAOPPBXJMWMJ-SNVBAGLBSA-N 0 2 309.416 1.978 20 30 DDEDLN CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(C2CC2)C1=O ZINC000790737881 699594777 /nfs/dbraw/zinc/59/47/77/699594777.db2.gz AYKAOPPBXJMWMJ-SNVBAGLBSA-N 0 2 309.416 1.978 20 30 DDEDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCCO[C@H](C)C#N ZINC000801863328 700348067 /nfs/dbraw/zinc/34/80/67/700348067.db2.gz YVKCXUSGCJXWLU-BDAKNGLRSA-N 0 2 310.272 1.161 20 30 DDEDLN C[C@H](OC(=O)c1cc(F)c(O)c(F)c1)C(=O)N(C)CCC#N ZINC000759547924 700758157 /nfs/dbraw/zinc/75/81/57/700758157.db2.gz JEVUFYNWCXFZMJ-QMMMGPOBSA-N 0 2 312.272 1.588 20 30 DDEDLN N#CC(C(=O)Cn1c(=O)cnc2ccccc21)c1ccncn1 ZINC000760351745 700804354 /nfs/dbraw/zinc/80/43/54/700804354.db2.gz IAUSHALZZWMGOX-NSHDSACASA-N 0 2 305.297 1.063 20 30 DDEDLN N#C[C@H](C(=O)Cn1c(=O)cnc2ccccc21)c1ccncn1 ZINC000760351745 700804355 /nfs/dbraw/zinc/80/43/55/700804355.db2.gz IAUSHALZZWMGOX-NSHDSACASA-N 0 2 305.297 1.063 20 30 DDEDLN CNc1ccc(C#N)cc1NC(=O)CC1SC(=N)NC1=O ZINC000803303630 701100713 /nfs/dbraw/zinc/10/07/13/701100713.db2.gz QZWJLRJYHBKDDF-SNVBAGLBSA-N 0 2 303.347 1.095 20 30 DDEDLN C#Cc1ccccc1CC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000843874608 702936376 /nfs/dbraw/zinc/93/63/76/702936376.db2.gz FCPCDCZXUVEECV-UHFFFAOYSA-N 0 2 310.357 1.440 20 30 DDEDLN C[C@H](C#N)CN(C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000858711412 704746874 /nfs/dbraw/zinc/74/68/74/704746874.db2.gz LSLGEUHPGOQHIV-MRVPVSSYSA-N 0 2 317.267 1.690 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCN(C)c2ccccc21 ZINC000892863612 710515007 /nfs/dbraw/zinc/51/50/07/710515007.db2.gz NYEJCEOFNPAVCC-KBPBESRZSA-N 0 2 322.368 1.935 20 30 DDEDLN C=C(Cl)C[C@H](NC(=O)NCCCCn1cc[nH+]c1)C(=O)[O-] ZINC000908861553 712872247 /nfs/dbraw/zinc/87/22/47/712872247.db2.gz FPRCJGCYJHPKPO-NSHDSACASA-N 0 2 314.773 1.558 20 30 DDEDLN C#Cc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000934929389 714931777 /nfs/dbraw/zinc/93/17/77/714931777.db2.gz XTUWYSZABRTSHW-GFCCVEGCSA-N 0 2 311.345 1.903 20 30 DDEDLN C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000968925342 719874789 /nfs/dbraw/zinc/87/47/89/719874789.db2.gz AMBXUOUBFPEXFK-JKSUJKDBSA-N 0 2 314.433 1.440 20 30 DDEDLN C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001076228803 742610591 /nfs/dbraw/zinc/61/05/91/742610591.db2.gz LDFVIHBRSBNJRJ-OFQRWUPVSA-N 0 2 314.433 1.938 20 30 DDEDLN C=C(C)C[NH+]1CC(OC2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001105733997 743768581 /nfs/dbraw/zinc/76/85/81/743768581.db2.gz UZZZFMHKWIVROS-UHFFFAOYSA-N 0 2 323.481 1.596 20 30 DDEDLN CC[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001103340965 743922690 /nfs/dbraw/zinc/92/26/90/743922690.db2.gz QIDODDHOIQLFJX-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001103340965 743922691 /nfs/dbraw/zinc/92/26/91/743922691.db2.gz QIDODDHOIQLFJX-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2coc(-c3cccc(F)c3)n2)c1=O ZINC001189567879 744925774 /nfs/dbraw/zinc/92/57/74/744925774.db2.gz YKVRVVJYZOWZHH-UHFFFAOYSA-N 0 2 312.260 1.251 20 30 DDEDLN COC(=O)c1cc(NS(=O)(=O)[C@H](C)C#N)cnc1Cl ZINC001193110645 745981668 /nfs/dbraw/zinc/98/16/68/745981668.db2.gz AFKQULXVZMNHQC-ZCFIWIBFSA-N 0 2 303.727 1.175 20 30 DDEDLN Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)C(F)C(F)(F)F)n1 ZINC001108170927 753345946 /nfs/dbraw/zinc/34/59/46/753345946.db2.gz SAZZBLQWNZSWPS-VXNVDRBHSA-N 0 2 319.262 1.474 20 30 DDEDLN Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F)n1 ZINC001108170927 753345955 /nfs/dbraw/zinc/34/59/55/753345955.db2.gz SAZZBLQWNZSWPS-VXNVDRBHSA-N 0 2 319.262 1.474 20 30 DDEDLN C[C@@H](CN(C)c1ncccc1C#N)NC(=O)C(F)C(F)(F)F ZINC001109274419 763537022 /nfs/dbraw/zinc/53/70/22/763537022.db2.gz DZEAFGWLSUGDIU-WCBMZHEXSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CN(C)c1ncccc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001109274419 763537028 /nfs/dbraw/zinc/53/70/28/763537028.db2.gz DZEAFGWLSUGDIU-WCBMZHEXSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001098327587 764303282 /nfs/dbraw/zinc/30/32/82/764303282.db2.gz LWRKEXLQDAYAGK-HZGVNTEJSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001098327587 764303285 /nfs/dbraw/zinc/30/32/85/764303285.db2.gz LWRKEXLQDAYAGK-HZGVNTEJSA-N 0 2 305.235 1.165 20 30 DDEDLN CC(C)(C#N)CC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC001412451887 854575251 /nfs/dbraw/zinc/57/52/51/854575251.db2.gz CTINVZYCWGHUBE-GFCCVEGCSA-N 0 2 313.361 1.850 20 30 DDEDLN CSc1ncc(NS(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC001258045416 855252102 /nfs/dbraw/zinc/25/21/02/855252102.db2.gz KMDGWWJUJVVWIX-UHFFFAOYSA-N 0 2 306.372 1.871 20 30 DDEDLN CO[C@@H]1CCn2cc(C(=O)C(C#N)c3cccc(F)n3)nc2C1 ZINC001122736111 858954268 /nfs/dbraw/zinc/95/42/68/858954268.db2.gz QAARORLOJVTAFX-MNOVXSKESA-N 0 2 314.320 1.868 20 30 DDEDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1CCC#N ZINC001138013108 859999704 /nfs/dbraw/zinc/99/97/04/859999704.db2.gz GHUWMCSRCWAXHJ-UHFFFAOYSA-N 0 2 315.289 1.971 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc(CC(N)=O)cc1 ZINC001362029237 882870744 /nfs/dbraw/zinc/87/07/44/882870744.db2.gz MSVQICFBWVWZJH-UHFFFAOYSA-N 0 2 310.313 1.247 20 30 DDEDLN C[C@@H]1[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCOC1(C)C ZINC001364355689 888446383 /nfs/dbraw/zinc/44/63/83/888446383.db2.gz YSXHKSGWCCFFFC-JTQLQIEISA-N 0 2 301.350 1.306 20 30 DDEDLN C[C@@H]1[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCOC1(C)C ZINC001364355689 888446386 /nfs/dbraw/zinc/44/63/86/888446386.db2.gz YSXHKSGWCCFFFC-JTQLQIEISA-N 0 2 301.350 1.306 20 30 DDEDLN Cn1c(=O)[nH]c(N2CCc3cc(C(C)(C)C)ccc32)c(C#N)c1=O ZINC001365223494 890385328 /nfs/dbraw/zinc/38/53/28/890385328.db2.gz PVMNOZGMNDZNOP-UHFFFAOYSA-N 0 2 324.384 1.937 20 30 DDEDLN C=CCn1cccc1C(=O)NCCNC(=O)C(F)C(F)(F)F ZINC001292844647 914042487 /nfs/dbraw/zinc/04/24/87/914042487.db2.gz QHEYHKITEFXJQV-JTQLQIEISA-N 0 2 321.274 1.421 20 30 DDEDLN C=CCn1cccc1C(=O)NCCNC(=O)[C@H](F)C(F)(F)F ZINC001292844647 914042508 /nfs/dbraw/zinc/04/25/08/914042508.db2.gz QHEYHKITEFXJQV-JTQLQIEISA-N 0 2 321.274 1.421 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ncccc2CCO)cc1 ZINC001258053265 898033987 /nfs/dbraw/zinc/03/39/87/898033987.db2.gz ASGCDYKTTFDUET-UHFFFAOYSA-N 0 2 303.343 1.289 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ccc(C#N)nc2)c(OC)c1 ZINC001258952624 898380344 /nfs/dbraw/zinc/38/03/44/898380344.db2.gz DKOPONGOZZHUEC-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN C#Cc1nccnc1NS(=O)(=O)CCc1ccc(F)cc1 ZINC001259754849 898782107 /nfs/dbraw/zinc/78/21/07/898782107.db2.gz IQSHAHCMWOUSKH-UHFFFAOYSA-N 0 2 305.334 1.581 20 30 DDEDLN CC[C@H](C)S(=O)(=O)Nc1c(C#N)cnc2c(C#N)cnn21 ZINC001260725358 899229292 /nfs/dbraw/zinc/22/92/92/899229292.db2.gz CHRCSIGBVRCPNQ-QMMMGPOBSA-N 0 2 304.335 1.013 20 30 DDEDLN C=CCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001265650741 902254331 /nfs/dbraw/zinc/25/43/31/902254331.db2.gz DLOVLRGOCYYKMP-GFCCVEGCSA-N 0 2 307.398 1.337 20 30 DDEDLN C=CCCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001265650741 902254345 /nfs/dbraw/zinc/25/43/45/902254345.db2.gz DLOVLRGOCYYKMP-GFCCVEGCSA-N 0 2 307.398 1.337 20 30 DDEDLN CCN(CCCNC(=O)C#CC1CC1)C(=O)C(F)C(F)(F)F ZINC001283718006 907845213 /nfs/dbraw/zinc/84/52/13/907845213.db2.gz HOOPVKVDDQEZCJ-GFCCVEGCSA-N 0 2 322.302 1.655 20 30 DDEDLN CCN(CCCNC(=O)C#CC1CC1)C(=O)[C@@H](F)C(F)(F)F ZINC001283718006 907845223 /nfs/dbraw/zinc/84/52/23/907845223.db2.gz HOOPVKVDDQEZCJ-GFCCVEGCSA-N 0 2 322.302 1.655 20 30 DDEDLN C=CC(C)(C)C(=O)N1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001284971726 909858955 /nfs/dbraw/zinc/85/89/55/909858955.db2.gz JCSILRKXTKXCBJ-VIFPVBQESA-N 0 2 310.291 1.674 20 30 DDEDLN C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001284971726 909858965 /nfs/dbraw/zinc/85/89/65/909858965.db2.gz JCSILRKXTKXCBJ-VIFPVBQESA-N 0 2 310.291 1.674 20 30 DDEDLN CCOC(=O)CCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000065309831 352950823 /nfs/dbraw/zinc/95/08/23/352950823.db2.gz YOOJLPGHEJYGBI-UHFFFAOYSA-N 0 2 309.347 1.064 20 30 DDEDLN C[C@@H](C#N)CN(C)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000084385082 353720683 /nfs/dbraw/zinc/72/06/83/353720683.db2.gz CMXIBZFJTJHKCV-JTQLQIEISA-N 0 2 302.309 1.949 20 30 DDEDLN N#CC1(NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)CCCCC1 ZINC000597034926 357045360 /nfs/dbraw/zinc/04/53/60/357045360.db2.gz UWMHDBMAFIYCNN-UHFFFAOYSA-N 0 2 312.329 1.986 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1noc(C2CC2)n1 ZINC000180783121 199208682 /nfs/dbraw/zinc/20/86/82/199208682.db2.gz HSDPAOALRCGHAC-UHFFFAOYSA-N 0 2 304.331 1.928 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)CC1(OC)CCC1 ZINC000601977624 358762740 /nfs/dbraw/zinc/76/27/40/358762740.db2.gz NYRUROMXGVBBLO-UHFFFAOYSA-N 0 2 310.375 1.878 20 30 DDEDLN CCNC(=O)c1cc(NS(=O)(=O)[C@H](C#N)CC)c(C)s1 ZINC000601977829 358763028 /nfs/dbraw/zinc/76/30/28/358763028.db2.gz JKXNOUPGJWQPKU-VIFPVBQESA-N 0 2 315.420 1.850 20 30 DDEDLN N#Cc1cccc(NC(=O)c2cc(S(N)(=O)=O)ccc2O)c1 ZINC000609160706 360268711 /nfs/dbraw/zinc/26/87/11/360268711.db2.gz ZQYRERHUUKCMDP-UHFFFAOYSA-N 0 2 317.326 1.164 20 30 DDEDLN N#CCCn1ccc(NS(=O)(=O)c2ccc3c(c2)COC3)n1 ZINC000344352825 223332468 /nfs/dbraw/zinc/33/24/68/223332468.db2.gz BHHICUQQSGBJKP-UHFFFAOYSA-N 0 2 318.358 1.628 20 30 DDEDLN CCc1ncc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cn1 ZINC000427281853 269680897 /nfs/dbraw/zinc/68/08/97/269680897.db2.gz QREHMVVALAGRRE-UHFFFAOYSA-N 0 2 303.347 1.415 20 30 DDEDLN CCn1cc(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000130333907 407677957 /nfs/dbraw/zinc/67/79/57/407677957.db2.gz NUKZZAJEUDYYRE-UHFFFAOYSA-N 0 2 321.318 1.484 20 30 DDEDLN COc1cc(NS(=O)(=O)c2ccc(C#N)cc2C)ncn1 ZINC000179091334 407718704 /nfs/dbraw/zinc/71/87/04/407718704.db2.gz JHHJPJUFKGRBDZ-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN C[C@H]1CC(C(=O)NS(=O)(=O)c2cncc(C#N)c2)C[C@H](C)C1 ZINC000408489182 164347968 /nfs/dbraw/zinc/34/79/68/164347968.db2.gz QJDCMZKLAIEEGG-GHMZBOCLSA-N 0 2 321.402 1.830 20 30 DDEDLN COC[C@](C)(NS(=O)(=O)c1ccc(C#N)o1)C(F)(F)F ZINC000342550379 409715947 /nfs/dbraw/zinc/71/59/47/409715947.db2.gz BBZJPFINWBYRES-VIFPVBQESA-N 0 2 312.269 1.397 20 30 DDEDLN COc1cc(CNS(=O)(=O)NCC(F)(F)F)ccc1C#N ZINC000352710151 410674792 /nfs/dbraw/zinc/67/47/92/410674792.db2.gz QMFULDKLMSNGIQ-UHFFFAOYSA-N 0 2 323.296 1.053 20 30 DDEDLN COCc1ccccc1S(=O)(=O)Nc1cc(C#N)ccn1 ZINC000352878339 410683775 /nfs/dbraw/zinc/68/37/75/410683775.db2.gz RYHAAYJHWDBHMB-UHFFFAOYSA-N 0 2 303.343 1.900 20 30 DDEDLN C[C@@H](Oc1ccccc1C#N)C(=O)N=c1[nH][nH]c(C2CC2)c1C#N ZINC000359723789 410838726 /nfs/dbraw/zinc/83/87/26/410838726.db2.gz JSRTUFDQFMMKGI-SNVBAGLBSA-N 0 2 321.340 2.436 20 30 DDEDLN Cc1n[nH]c(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)n1 ZINC000367713274 418625361 /nfs/dbraw/zinc/62/53/61/418625361.db2.gz RILXWPAHZDYMNT-NSHDSACASA-N 0 2 314.324 1.589 20 30 DDEDLN Cc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1-c1cccc(C#N)c1 ZINC000372473140 418874961 /nfs/dbraw/zinc/87/49/61/418874961.db2.gz MSNNXLQRZIJACP-CHWSQXEVSA-N 0 2 311.301 1.656 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)nnc1C ZINC000427789848 419734167 /nfs/dbraw/zinc/73/41/67/419734167.db2.gz QAFLNUDMDLPQEL-UHFFFAOYSA-N 0 2 306.322 1.905 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)/C=C\C2CCCC2)c1 ZINC000493819442 420948231 /nfs/dbraw/zinc/94/82/31/420948231.db2.gz JWDNVRSEOSZFIJ-WAYWQWQTSA-N 0 2 305.359 1.505 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CCCC23CC3)c1 ZINC000529022045 421526382 /nfs/dbraw/zinc/52/63/82/421526382.db2.gz QQTPNRDLQCVEDE-GFCCVEGCSA-N 0 2 305.359 1.338 20 30 DDEDLN C=CC(C)(C)CCNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000628317291 422130508 /nfs/dbraw/zinc/13/05/08/422130508.db2.gz CYHWWNJMLJVCFH-UHFFFAOYSA-N 0 2 302.334 1.768 20 30 DDEDLN N#Cc1nc(NC(=O)CCc2cccc([N+](=O)[O-])c2)[nH]c1C#N ZINC000125202031 281203689 /nfs/dbraw/zinc/20/36/89/281203689.db2.gz TVCWWTCECKCADA-UHFFFAOYSA-N 0 2 310.273 1.633 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cc(C)nn2CCC#N)cn1 ZINC000567456925 333645384 /nfs/dbraw/zinc/64/53/84/333645384.db2.gz JSZMKTOMTQMDPP-UHFFFAOYSA-N 0 2 321.362 1.310 20 30 DDEDLN CCN1CCN(C(=O)N=c2cn[n-]s2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330270475 529136246 /nfs/dbraw/zinc/13/62/46/529136246.db2.gz UGNQUXYUERIHBC-SECBINFHSA-N 0 2 307.383 1.186 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1ccccc1-n1c(C)c[nH]c1=O ZINC000416936702 529270810 /nfs/dbraw/zinc/27/08/10/529270810.db2.gz IHMIGAREYFTJPZ-NSHDSACASA-N 0 2 320.374 1.930 20 30 DDEDLN N#Cc1ccc([C@H]([NH2+]CC(=O)NC2CCCCC2)C(=O)[O-])cc1 ZINC000739104966 600596949 /nfs/dbraw/zinc/59/69/49/600596949.db2.gz DYSWXEPWEASFBR-INIZCTEOSA-N 0 2 315.373 1.722 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000825353829 604600625 /nfs/dbraw/zinc/60/06/25/604600625.db2.gz XXZZFXYWJOTANQ-WFASDCNBSA-N 0 2 319.361 1.294 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000825353829 604600628 /nfs/dbraw/zinc/60/06/28/604600628.db2.gz XXZZFXYWJOTANQ-WFASDCNBSA-N 0 2 319.361 1.294 20 30 DDEDLN C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCN(C)C(=O)[O-] ZINC000833788622 605524774 /nfs/dbraw/zinc/52/47/74/605524774.db2.gz BJHZECIQFKJPMO-LLVKDONJSA-N 0 2 304.350 1.427 20 30 DDEDLN C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCN(C)C(=O)[O-] ZINC000833788622 605524776 /nfs/dbraw/zinc/52/47/76/605524776.db2.gz BJHZECIQFKJPMO-LLVKDONJSA-N 0 2 304.350 1.427 20 30 DDEDLN Cc1ccc(O)c(C=Nn2c(C)cc(C)c(-c3nn[nH]n3)c2=O)c1 ZINC000826291549 607885443 /nfs/dbraw/zinc/88/54/43/607885443.db2.gz LALZIYFPVVXEEM-UHFFFAOYSA-N 0 2 324.344 1.541 20 30 DDEDLN CCCCCCCS(=O)(=O)Nc1ccc(C(=O)OC)nn1 ZINC000799647986 700156115 /nfs/dbraw/zinc/15/61/15/700156115.db2.gz ONASYWAKEUJJMR-UHFFFAOYSA-N 0 2 315.395 1.975 20 30 DDEDLN C#CCOc1ccccc1NC(=O)CC1SC(=N)NC1=O ZINC000775940620 698054460 /nfs/dbraw/zinc/05/44/60/698054460.db2.gz RGHFFGHQKJDILM-NSHDSACASA-N 0 2 303.343 1.194 20 30 DDEDLN CCOCCCNC(=O)C(C#N)=C([O-])c1cn2ccccc2[nH+]1 ZINC000729067439 699465724 /nfs/dbraw/zinc/46/57/24/699465724.db2.gz GVNVQFJFPNNZEK-GFCCVEGCSA-N 0 2 314.345 1.200 20 30 DDEDLN C[C@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770863819 701298135 /nfs/dbraw/zinc/29/81/35/701298135.db2.gz VZCQAZSMVRAQTB-UWVGGRQHSA-N 0 2 320.349 1.225 20 30 DDEDLN CN(C(=O)C(F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000810392820 701763403 /nfs/dbraw/zinc/76/34/03/701763403.db2.gz ACCUULSUPHCUGU-RITPCOANSA-N 0 2 324.196 1.508 20 30 DDEDLN CN(C(=O)[C@H](F)C(F)(F)F)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000810392820 701763404 /nfs/dbraw/zinc/76/34/04/701763404.db2.gz ACCUULSUPHCUGU-RITPCOANSA-N 0 2 324.196 1.508 20 30 DDEDLN CC(C)(C#N)CCS(=O)(=O)Nc1cnn(-c2ccccc2)n1 ZINC000844660041 703052283 /nfs/dbraw/zinc/05/22/83/703052283.db2.gz KZVAVADVWCYENA-UHFFFAOYSA-N 0 2 319.390 1.949 20 30 DDEDLN C#CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947333479 719125456 /nfs/dbraw/zinc/12/54/56/719125456.db2.gz FNXFQBQELPAINS-HUUCEWRRSA-N 0 2 314.433 1.364 20 30 DDEDLN N#Cc1cnc(N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cn1 ZINC001059097763 739934018 /nfs/dbraw/zinc/93/40/18/739934018.db2.gz OUMVBLJWXWLOBR-OIBJUYFYSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1cnc(N[C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)cn1 ZINC001059097763 739934024 /nfs/dbraw/zinc/93/40/24/739934024.db2.gz OUMVBLJWXWLOBR-OIBJUYFYSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)c2cnc(Cl)nc2)ccc1O ZINC001185047538 744150598 /nfs/dbraw/zinc/15/05/98/744150598.db2.gz IRCDWMNZBGCGTR-UHFFFAOYSA-N 0 2 310.722 1.508 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)Cc2ccc(F)c(F)c2)CCC1=O ZINC001189297868 744861703 /nfs/dbraw/zinc/86/17/03/744861703.db2.gz XCNGHVMLWFCRNC-JTQLQIEISA-N 0 2 314.313 1.209 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190524927 745240088 /nfs/dbraw/zinc/24/00/88/745240088.db2.gz JTLSKTMOAJOHTP-CYBMUJFWSA-N 0 2 308.359 1.298 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(C#N)nc2)c1 ZINC001193644463 746161088 /nfs/dbraw/zinc/16/10/88/746161088.db2.gz HNTDWTXBFXMLFZ-UHFFFAOYSA-N 0 2 314.326 1.634 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cc(F)c(C#N)c(F)c2)n1C ZINC001198406973 747481321 /nfs/dbraw/zinc/48/13/21/747481321.db2.gz TYVKVBFQFWNUJZ-UHFFFAOYSA-N 0 2 312.301 1.679 20 30 DDEDLN COc1nc(Cl)ccc1S(=O)(=O)Nc1ccnc(C#N)c1 ZINC001198660213 747555994 /nfs/dbraw/zinc/55/59/94/747555994.db2.gz XWWCZAXTNUNPMW-UHFFFAOYSA-N 0 2 324.749 1.233 20 30 DDEDLN COC(=O)n1ncc(C#N)c1NC(=O)c1noc(Cl)c1C ZINC001199677569 747948942 /nfs/dbraw/zinc/94/89/42/747948942.db2.gz YOHRXCRJAPKSMS-UHFFFAOYSA-N 0 2 309.669 1.571 20 30 DDEDLN Cc1cc(N[C@H](C)CNC(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001098327150 762034589 /nfs/dbraw/zinc/03/45/89/762034589.db2.gz BWLOKDBALYJDHY-LDYMZIIASA-N 0 2 318.274 1.501 20 30 DDEDLN Cc1cc(N[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F)c(C#N)cn1 ZINC001098327150 762034595 /nfs/dbraw/zinc/03/45/95/762034595.db2.gz BWLOKDBALYJDHY-LDYMZIIASA-N 0 2 318.274 1.501 20 30 DDEDLN C=C1CCC(C(=O)NC2CN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC000999111937 752536687 /nfs/dbraw/zinc/53/66/87/752536687.db2.gz ANNMTDUCBMGUHA-NSHDSACASA-N 0 2 322.302 1.960 20 30 DDEDLN C=C1CCC(C(=O)NC2CN(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC000999111937 752536691 /nfs/dbraw/zinc/53/66/91/752536691.db2.gz ANNMTDUCBMGUHA-NSHDSACASA-N 0 2 322.302 1.960 20 30 DDEDLN N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001097258498 757025635 /nfs/dbraw/zinc/02/56/35/757025635.db2.gz PHDDNWZGBWUABY-OOZYFLPDSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001097258498 757025637 /nfs/dbraw/zinc/02/56/37/757025637.db2.gz PHDDNWZGBWUABY-OOZYFLPDSA-N 0 2 317.246 1.308 20 30 DDEDLN C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)CO2 ZINC001053822093 758851823 /nfs/dbraw/zinc/85/18/23/758851823.db2.gz GAXCKQFWVPPCQC-HOTGVXAUSA-N 0 2 321.465 1.396 20 30 DDEDLN C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001109276090 763538472 /nfs/dbraw/zinc/53/84/72/763538472.db2.gz YGRPAIBHBLKIOD-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H](F)C(F)(F)F ZINC001109276090 763538475 /nfs/dbraw/zinc/53/84/75/763538475.db2.gz YGRPAIBHBLKIOD-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(Cl)cc(N)[nH+]1 ZINC001171068529 772218969 /nfs/dbraw/zinc/21/89/69/772218969.db2.gz ZWGNNESQPTVBRS-NSHDSACASA-N 0 2 312.801 1.956 20 30 DDEDLN CN(CCNc1cncc(C#N)n1)C(=O)[C@H](F)C(F)(F)F ZINC001102003327 777786661 /nfs/dbraw/zinc/78/66/61/777786661.db2.gz UAYCPTFWZAOWGY-VIFPVBQESA-N 0 2 305.235 1.119 20 30 DDEDLN CN(CCNc1cncc(C#N)n1)C(=O)C(F)C(F)(F)F ZINC001102003327 777786651 /nfs/dbraw/zinc/78/66/51/777786651.db2.gz UAYCPTFWZAOWGY-VIFPVBQESA-N 0 2 305.235 1.119 20 30 DDEDLN C#CC[N@@H+](Cc1cn(C)nc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001119539002 781501208 /nfs/dbraw/zinc/50/12/08/781501208.db2.gz LCKDALCOSOJVND-UHFFFAOYSA-N 0 2 301.321 1.893 20 30 DDEDLN C#CC[N@H+](Cc1cn(C)nc1C(=O)[O-])Cc1ccc(F)cc1 ZINC001119539002 781501211 /nfs/dbraw/zinc/50/12/11/781501211.db2.gz LCKDALCOSOJVND-UHFFFAOYSA-N 0 2 301.321 1.893 20 30 DDEDLN CN(CCCNC(=O)CCc1c[nH]c[nH+]1)c1ncccc1C#N ZINC001095767912 855333026 /nfs/dbraw/zinc/33/30/26/855333026.db2.gz FJSYJOJMYPMOSS-UHFFFAOYSA-N 0 2 312.377 1.252 20 30 DDEDLN CN(CCCNC(=O)CCc1c[nH+]c[nH]1)c1ncccc1C#N ZINC001095767912 855333029 /nfs/dbraw/zinc/33/30/29/855333029.db2.gz FJSYJOJMYPMOSS-UHFFFAOYSA-N 0 2 312.377 1.252 20 30 DDEDLN N#Cc1cccc(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC001413505563 856902594 /nfs/dbraw/zinc/90/25/94/856902594.db2.gz JYXWEKZQXVXQAE-LLVKDONJSA-N 0 2 312.333 1.793 20 30 DDEDLN CC#CC[NH+]1CCOC2(CCN(C(=O)C[N@H+](C)C(C)C)CC2)C1 ZINC001328492167 863005887 /nfs/dbraw/zinc/00/58/87/863005887.db2.gz OHSGIXMCXNJUEU-UHFFFAOYSA-N 0 2 321.465 1.043 20 30 DDEDLN C#C[C@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139323804 860363265 /nfs/dbraw/zinc/36/32/65/860363265.db2.gz SSUHZHKYLYDVLE-AWEZNQCLSA-N 0 2 304.463 1.740 20 30 DDEDLN C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)C(=O)C(F)C(F)(F)F ZINC001334266378 867439107 /nfs/dbraw/zinc/43/91/07/867439107.db2.gz WKMLHXAHFHTCMB-GXSJLCMTSA-N 0 2 324.318 1.899 20 30 DDEDLN C[C@@H](CNC(=O)C#CC(C)(C)C)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001334266378 867439114 /nfs/dbraw/zinc/43/91/14/867439114.db2.gz WKMLHXAHFHTCMB-GXSJLCMTSA-N 0 2 324.318 1.899 20 30 DDEDLN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)C(=O)C(F)C(F)(F)F ZINC001334266407 867439653 /nfs/dbraw/zinc/43/96/53/867439653.db2.gz WKMLHXAHFHTCMB-MWLCHTKSSA-N 0 2 324.318 1.899 20 30 DDEDLN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001334266407 867439659 /nfs/dbraw/zinc/43/96/59/867439659.db2.gz WKMLHXAHFHTCMB-MWLCHTKSSA-N 0 2 324.318 1.899 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC001361693633 882173745 /nfs/dbraw/zinc/17/37/45/882173745.db2.gz HMBQYOVHZWOWCR-UHFFFAOYSA-N 0 2 311.345 1.710 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccn(CCF)n2)cc1C#N ZINC001361719802 882225534 /nfs/dbraw/zinc/22/55/34/882225534.db2.gz SFCCDBHCTIVIPJ-UHFFFAOYSA-N 0 2 321.337 1.799 20 30 DDEDLN C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2n[nH]c(=O)[n-]2)CCC1 ZINC001317511289 870956327 /nfs/dbraw/zinc/95/63/27/870956327.db2.gz YDRSBGBBERMJFD-LBPRGKRZSA-N 0 2 319.409 1.337 20 30 DDEDLN C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2Cc2n[nH]c(=O)[n-]2)CCC1 ZINC001317511289 870956339 /nfs/dbraw/zinc/95/63/39/870956339.db2.gz YDRSBGBBERMJFD-LBPRGKRZSA-N 0 2 319.409 1.337 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CC(C)(OC)C1 ZINC001340331070 871040017 /nfs/dbraw/zinc/04/00/17/871040017.db2.gz IDCQJBMQUWPXLV-UHFFFAOYSA-N 0 2 318.381 1.278 20 30 DDEDLN C#C[C@@H](Oc1[nH]c(=O)nnc1Br)c1ccncc1 ZINC001227066287 882809099 /nfs/dbraw/zinc/80/90/99/882809099.db2.gz HGOSAZRLJVSSME-MRVPVSSYSA-N 0 2 307.107 1.488 20 30 DDEDLN C=CCOCC(COCC=C)Oc1[nH]c(=O)nc2ncsc21 ZINC001227606524 883100854 /nfs/dbraw/zinc/10/08/54/883100854.db2.gz BPZOGXHCSRDMMW-UHFFFAOYSA-N 0 2 323.374 1.945 20 30 DDEDLN C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001379759188 877934677 /nfs/dbraw/zinc/93/46/77/877934677.db2.gz AZZWLJXSQLLFCX-VIFPVBQESA-N 0 2 324.768 1.731 20 30 DDEDLN C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001379759188 877934692 /nfs/dbraw/zinc/93/46/92/877934692.db2.gz AZZWLJXSQLLFCX-VIFPVBQESA-N 0 2 324.768 1.731 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001385439927 889113657 /nfs/dbraw/zinc/11/36/57/889113657.db2.gz FGTTWTYTXPOULA-IONNQARKSA-N 0 2 309.263 1.154 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001385439927 889113661 /nfs/dbraw/zinc/11/36/61/889113661.db2.gz FGTTWTYTXPOULA-IONNQARKSA-N 0 2 309.263 1.154 20 30 DDEDLN CCOC(=O)C(C)(C)ONC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC001261271042 899442830 /nfs/dbraw/zinc/44/28/30/899442830.db2.gz SLSOSUVSFREFQW-UHFFFAOYSA-N 0 2 316.357 1.979 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)NC(=O)c1c[nH]c(C#N)c1 ZINC001372907461 908551301 /nfs/dbraw/zinc/55/13/01/908551301.db2.gz MCVNUOMKNOTMBQ-IMTBSYHQSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)NC(=O)c1c[nH]c(C#N)c1 ZINC001372907461 908551304 /nfs/dbraw/zinc/55/13/04/908551304.db2.gz MCVNUOMKNOTMBQ-IMTBSYHQSA-N 0 2 320.246 1.021 20 30 DDEDLN O=C(C#CC1CC1)NC[C@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001285856808 911314332 /nfs/dbraw/zinc/31/43/32/911314332.db2.gz RZKQAKBKTPMBTQ-KOLCDFICSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(C#CC1CC1)NC[C@H]1CCN1C(=O)[C@H](F)C(F)(F)F ZINC001285856808 911314353 /nfs/dbraw/zinc/31/43/53/911314353.db2.gz RZKQAKBKTPMBTQ-KOLCDFICSA-N 0 2 306.259 1.017 20 30 DDEDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(C#N)[nH]1 ZINC000154561946 290673292 /nfs/dbraw/zinc/67/32/92/290673292.db2.gz MYANRQNURUKODQ-UHFFFAOYSA-N 0 2 313.342 1.457 20 30 DDEDLN CC(C)C/N=C1\NC(=O)[C@@H](CC(=O)NCc2ccccc2)S1 ZINC000021883892 352174690 /nfs/dbraw/zinc/17/46/90/352174690.db2.gz WLRZYNIODYFSJN-CYBMUJFWSA-N 0 2 319.430 1.937 20 30 DDEDLN C=CCCC[C@H](C)NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000179790586 354263671 /nfs/dbraw/zinc/26/36/71/354263671.db2.gz HGBYWWYNPNYAMZ-JTQLQIEISA-N 0 2 316.361 1.807 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)c1c(C)cnn1C ZINC000586671690 354855547 /nfs/dbraw/zinc/85/55/47/354855547.db2.gz VNRZINWNVUGNHP-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN N#Cc1nc(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)sc1Cl ZINC000596225981 356823191 /nfs/dbraw/zinc/82/31/91/356823191.db2.gz LSIZVIATBRPJGE-ZCFIWIBFSA-N 0 2 310.770 1.876 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCOC2(C)C)cc1C#N ZINC000598453722 357589693 /nfs/dbraw/zinc/58/96/93/357589693.db2.gz IKCLAMCLTQZOBL-SNVBAGLBSA-N 0 2 321.402 1.926 20 30 DDEDLN N#CCCN1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000602204267 358881446 /nfs/dbraw/zinc/88/14/46/358881446.db2.gz JOWUNXOUECJVND-UHFFFAOYSA-N 0 2 311.744 1.856 20 30 DDEDLN CC(C)(C)Cc1nnc(NS(=O)(=O)c2ccc(C#N)nc2)o1 ZINC000194870140 201304308 /nfs/dbraw/zinc/30/43/08/201304308.db2.gz MDSTTYTXQDDBCN-UHFFFAOYSA-N 0 2 321.362 1.726 20 30 DDEDLN N#Cc1cccnc1N1CCN(c2[nH+]cccc2C(=O)[O-])CC1 ZINC000619516333 364046740 /nfs/dbraw/zinc/04/67/40/364046740.db2.gz VYSXFDQEVINEPV-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN N#Cc1nc(NC(=O)c2cnc([C@@H]3CCCO3)s2)[nH]c1C#N ZINC000340575179 251120948 /nfs/dbraw/zinc/12/09/48/251120948.db2.gz GHPVUKJHCUOJCF-VIFPVBQESA-N 0 2 314.330 1.713 20 30 DDEDLN N#Cc1ccnc(N2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)c1 ZINC000289985007 221361811 /nfs/dbraw/zinc/36/18/11/221361811.db2.gz YDFSLTGXQJDSEI-NSHDSACASA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1ccnc(N2CCN(C(=O)C(F)C(F)(F)F)CC2)c1 ZINC000289985007 221361814 /nfs/dbraw/zinc/36/18/14/221361814.db2.gz YDFSLTGXQJDSEI-NSHDSACASA-N 0 2 316.258 1.502 20 30 DDEDLN C=CCCCCCN(C)C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000128752779 407569764 /nfs/dbraw/zinc/56/97/64/407569764.db2.gz LQRXUDIMIHQIHN-UHFFFAOYSA-N 0 2 316.361 1.430 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2cncc(C)c2)cc1C#N ZINC000124824835 407370629 /nfs/dbraw/zinc/37/06/29/407370629.db2.gz BNLZQRIVFYAYLK-UHFFFAOYSA-N 0 2 314.370 1.602 20 30 DDEDLN N#Cc1nc(NC(=O)CCCc2nc(C3CC3)no2)[nH]c1C#N ZINC000154960774 408107703 /nfs/dbraw/zinc/10/77/03/408107703.db2.gz CBXKQCMUYFYDAZ-UHFFFAOYSA-N 0 2 311.305 1.375 20 30 DDEDLN Cc1cnn(C)c1S(=O)(=O)Nc1ccccc1O[C@H](C)C#N ZINC000285272766 409405788 /nfs/dbraw/zinc/40/57/88/409405788.db2.gz YMCFJNASLGGLEO-LLVKDONJSA-N 0 2 320.374 1.820 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2ncccc2Br)c1C#N ZINC000357246316 409951372 /nfs/dbraw/zinc/95/13/72/409951372.db2.gz SGRHRJKOMNPMNO-UHFFFAOYSA-N 0 2 306.123 2.000 20 30 DDEDLN N#Cc1ccsc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000329059970 410079370 /nfs/dbraw/zinc/07/93/70/410079370.db2.gz JFPLLNADHWGAJQ-VIFPVBQESA-N 0 2 303.347 1.463 20 30 DDEDLN COc1ccc2c(c1)[nH]cc(C(=O)N1CCOC[C@@H]1C#N)c2=O ZINC000298061722 410095757 /nfs/dbraw/zinc/09/57/57/410095757.db2.gz IABZDQCBOIOOHQ-JTQLQIEISA-N 0 2 313.313 1.314 20 30 DDEDLN CC(C)(C)n1cnc(=NC(=O)N2CCC[C@H]2C(=O)NC2CC2)[nH]1 ZINC000329567557 410362691 /nfs/dbraw/zinc/36/26/91/410362691.db2.gz PFCNSFQZLQORMJ-NSHDSACASA-N 0 2 320.397 2.148 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)C2CCCC2)cc1C#N ZINC000359614002 410772932 /nfs/dbraw/zinc/77/29/32/410772932.db2.gz IJCGJACWYCHYAV-LBPRGKRZSA-N 0 2 321.402 1.662 20 30 DDEDLN CCCN(CC#N)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000265803329 222356828 /nfs/dbraw/zinc/35/68/28/222356828.db2.gz KUNZSMDKOMUKIA-UHFFFAOYSA-N 0 2 301.306 1.120 20 30 DDEDLN C=C(C)[C@@H]1OCC[C@H]1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000362827105 418759852 /nfs/dbraw/zinc/75/98/52/418759852.db2.gz RWOSQHKTJLBHDR-NEPJUHHUSA-N 0 2 316.386 1.942 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2nnc(C(C)(C)C)o2)cc1C#N ZINC000427788375 419734650 /nfs/dbraw/zinc/73/46/50/419734650.db2.gz LAVXRTNGHFIBEF-UHFFFAOYSA-N 0 2 321.362 1.743 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)c(C)c1C ZINC000437400545 420404745 /nfs/dbraw/zinc/40/47/45/420404745.db2.gz MRNBZSINKVBOAC-UHFFFAOYSA-N 0 2 317.370 2.380 20 30 DDEDLN COC(=O)c1nscc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000447338212 420768052 /nfs/dbraw/zinc/76/80/52/420768052.db2.gz AFIWKLGQQDQATL-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN Cc1c[nH+]ccc1/C=C/C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000492979202 420726003 /nfs/dbraw/zinc/72/60/03/420726003.db2.gz BYYWECNOJICQEJ-SNAWJCMRSA-N 0 2 307.375 1.399 20 30 DDEDLN CC[C@@H](C)[C@@H](O)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000349783073 266365309 /nfs/dbraw/zinc/36/53/09/266365309.db2.gz JCCXQIXNGXFJCN-KCJUWKMLSA-N 0 2 309.391 1.518 20 30 DDEDLN CO[C@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)C1CC1 ZINC000358156238 266770039 /nfs/dbraw/zinc/77/00/39/266770039.db2.gz LXKHLIOFHISJKQ-LLVKDONJSA-N 0 2 307.375 1.536 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])ccc1C#N ZINC000359411312 267356599 /nfs/dbraw/zinc/35/65/99/267356599.db2.gz DIWUQJVOUKMKMG-UHFFFAOYSA-N 0 2 318.314 1.393 20 30 DDEDLN COc1ccc2c(c1)[C@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)CC2 ZINC000278320776 295273540 /nfs/dbraw/zinc/27/35/40/295273540.db2.gz YUPZFDJSSSFLPT-LLVKDONJSA-N 0 2 307.313 1.830 20 30 DDEDLN CC(C)(C)c1cccc(OCCn2c(=O)[nH]cc(C#N)c2=O)c1 ZINC000566221325 308049560 /nfs/dbraw/zinc/04/95/60/308049560.db2.gz ZZCDYANVSBSMTN-UHFFFAOYSA-N 0 2 313.357 1.785 20 30 DDEDLN N#CCCN(CCC#N)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000320691478 599759839 /nfs/dbraw/zinc/75/98/39/599759839.db2.gz WLQOOQWFHTXDCG-HNNXBMFYSA-N 0 2 314.345 1.058 20 30 DDEDLN CC(C)(C#N)c1ccccc1C[N@@H+]1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000826081571 604668071 /nfs/dbraw/zinc/66/80/71/604668071.db2.gz YUDOPSHHSYRSQD-CQSZACIVSA-N 0 2 315.373 1.263 20 30 DDEDLN CC(C)(C#N)c1ccccc1C[N@H+]1CCNC(=O)[C@H]1CC(=O)[O-] ZINC000826081571 604668073 /nfs/dbraw/zinc/66/80/73/604668073.db2.gz YUDOPSHHSYRSQD-CQSZACIVSA-N 0 2 315.373 1.263 20 30 DDEDLN Cc1nc(-c2nn[nH]n2)c(N=NCc2cccc(Cl)c2O)o1 ZINC000822424191 606601062 /nfs/dbraw/zinc/60/10/62/606601062.db2.gz SWYOBWZAIPLQJO-UHFFFAOYSA-N 0 2 319.712 1.968 20 30 DDEDLN Cc1csc([C@@H](C#N)C(=O)CC2(CS(C)(=O)=O)CC2)n1 ZINC000747105152 700055515 /nfs/dbraw/zinc/05/55/15/700055515.db2.gz NWRDTPRPBXSKTN-JTQLQIEISA-N 0 2 312.416 1.843 20 30 DDEDLN C#CCC[C@H](O)CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000799079014 700115380 /nfs/dbraw/zinc/11/53/80/700115380.db2.gz JDAPFTHJLKHZON-ZDUSSCGKSA-N 0 2 317.320 1.221 20 30 DDEDLN C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)C[C@@H]1CCCO1 ZINC000183128293 697483721 /nfs/dbraw/zinc/48/37/21/697483721.db2.gz YREQQFYOPCAGJN-RYUDHWBXSA-N 0 2 310.375 1.898 20 30 DDEDLN C#CCNC(=O)c1ccccc1NS(=O)(=O)N(C)C(C)C ZINC000267111554 698520040 /nfs/dbraw/zinc/52/00/40/698520040.db2.gz YRGJQLNOQWFQDF-UHFFFAOYSA-N 0 2 309.391 1.047 20 30 DDEDLN CC(C)C/N=C1/NC(=O)C(CC(=O)Nc2cccc(O)c2)S1 ZINC000731357878 699527491 /nfs/dbraw/zinc/52/74/91/699527491.db2.gz UDLQIKDRHWQJTA-GFCCVEGCSA-N 0 2 321.402 1.964 20 30 DDEDLN CCc1cccc(OCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c1 ZINC000770865918 701298320 /nfs/dbraw/zinc/29/83/20/701298320.db2.gz JEOQVKIPQALKGU-AWEZNQCLSA-N 0 2 311.341 1.953 20 30 DDEDLN O=C(NCc1cnn(CC(F)(F)F)c1)C(F)C(F)(F)F ZINC000810572042 701791915 /nfs/dbraw/zinc/79/19/15/701791915.db2.gz ZUVYWKQDJQKSJE-ZCFIWIBFSA-N 0 2 307.169 1.962 20 30 DDEDLN O=C(NCc1cnn(CC(F)(F)F)c1)[C@@H](F)C(F)(F)F ZINC000810572042 701791917 /nfs/dbraw/zinc/79/19/17/701791917.db2.gz ZUVYWKQDJQKSJE-ZCFIWIBFSA-N 0 2 307.169 1.962 20 30 DDEDLN CN(C)c1cc(C#N)cc(C(=O)NCCc2n[nH]c(=S)o2)c1 ZINC000841425142 702445635 /nfs/dbraw/zinc/44/56/35/702445635.db2.gz ZJXASKXTAHGYPP-UHFFFAOYSA-N 0 2 317.374 1.268 20 30 DDEDLN COCCn1c(=O)cc(O)nc1SCc1nc(C#N)cs1 ZINC000842017857 702656457 /nfs/dbraw/zinc/65/64/57/702656457.db2.gz TUBBCKUKMQZQGE-UHFFFAOYSA-N 0 2 324.387 1.216 20 30 DDEDLN C#CCCCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870666243 704099447 /nfs/dbraw/zinc/09/94/47/704099447.db2.gz AINRJGXURFRVIV-UHFFFAOYSA-N 0 2 300.406 1.966 20 30 DDEDLN O=C(NCC[S@](=O)CC(F)(F)F)C(F)C(F)(F)F ZINC000855267688 704476078 /nfs/dbraw/zinc/47/60/78/704476078.db2.gz DPCKKKLXHWHVDQ-XUWHUGODSA-N 0 2 303.199 1.314 20 30 DDEDLN O=C(NCC[S@](=O)CC(F)(F)F)[C@H](F)C(F)(F)F ZINC000855267688 704476079 /nfs/dbraw/zinc/47/60/79/704476079.db2.gz DPCKKKLXHWHVDQ-XUWHUGODSA-N 0 2 303.199 1.314 20 30 DDEDLN C=C[C@@H](C)ONC(=O)Cc1occ(C)c1C(=O)NO[C@H](C)C=C ZINC000824233628 705405490 /nfs/dbraw/zinc/40/54/90/705405490.db2.gz WESOULQKLFRJFI-VXGBXAGGSA-N 0 2 322.361 1.989 20 30 DDEDLN C#CCCOc1ccc(C(=O)NCCCc2n[nH]c(=O)[nH]2)cc1 ZINC000826542991 705810415 /nfs/dbraw/zinc/81/04/15/705810415.db2.gz GQZWNWJQZLSWSJ-UHFFFAOYSA-N 0 2 314.345 1.275 20 30 DDEDLN C=C(Cl)C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(=O)[O-] ZINC000864185852 706092377 /nfs/dbraw/zinc/09/23/77/706092377.db2.gz DIXCFXJVDJADTP-NSHDSACASA-N 0 2 311.769 1.474 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1csc(C2CC2)n1 ZINC000873512554 707881112 /nfs/dbraw/zinc/88/11/12/707881112.db2.gz YAOFETVSVQRFHJ-LLVKDONJSA-N 0 2 314.370 1.888 20 30 DDEDLN C=C[C@](C)(O)CC(=O)Nc1nccc(Br)c1O ZINC000913025288 713146401 /nfs/dbraw/zinc/14/64/01/713146401.db2.gz LREXPBGUMXEGPR-NSHDSACASA-N 0 2 301.140 1.815 20 30 DDEDLN Cc1ccc(C/N=C2/NC(=O)[C@H](CC(=O)NC3CC3)S2)cc1 ZINC000914582461 713397755 /nfs/dbraw/zinc/39/77/55/713397755.db2.gz ZPUOWRPOBXVMQK-ZDUSSCGKSA-N 0 2 317.414 1.751 20 30 DDEDLN C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001027897428 738785468 /nfs/dbraw/zinc/78/54/68/738785468.db2.gz NGMSMMCUFBWEOU-XJKSGUPXSA-N 0 2 317.437 1.557 20 30 DDEDLN C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001027469409 738323485 /nfs/dbraw/zinc/32/34/85/738323485.db2.gz ZRKICYPKNIKCCM-GJZGRUSLSA-N 0 2 300.406 1.002 20 30 DDEDLN C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001027471900 738325561 /nfs/dbraw/zinc/32/55/61/738325561.db2.gz WRXTXDDALBWMOJ-CABCVRRESA-N 0 2 314.433 1.379 20 30 DDEDLN CN(CCN(C)c1ncccc1C#N)C(=O)C(F)C(F)(F)F ZINC001105589010 742131610 /nfs/dbraw/zinc/13/16/10/742131610.db2.gz FTLWSHSUCROTIG-SNVBAGLBSA-N 0 2 318.274 1.748 20 30 DDEDLN CN(CCN(C)c1ncccc1C#N)C(=O)[C@@H](F)C(F)(F)F ZINC001105589010 742131614 /nfs/dbraw/zinc/13/16/14/742131614.db2.gz FTLWSHSUCROTIG-SNVBAGLBSA-N 0 2 318.274 1.748 20 30 DDEDLN COc1cc(OC)nc(C(=O)Nc2c(C#N)ccc(F)c2F)n1 ZINC001189231011 744848613 /nfs/dbraw/zinc/84/86/13/744848613.db2.gz QIEJHOQNRQNICP-UHFFFAOYSA-N 0 2 320.255 1.896 20 30 DDEDLN Cc1nc(Cl)c(N)c(=N)n1C(=O)c1cccc(C#N)c1O ZINC001193642635 746159710 /nfs/dbraw/zinc/15/97/10/746159710.db2.gz KUIVKGGOOQOOOL-UHFFFAOYSA-N 0 2 303.709 1.172 20 30 DDEDLN C#Cc1ccc(NS(=O)(=O)c2cc(OC)ccc2C#N)cn1 ZINC001193653846 746167277 /nfs/dbraw/zinc/16/72/77/746167277.db2.gz MLVIVPDWAKOLJO-UHFFFAOYSA-N 0 2 313.338 1.744 20 30 DDEDLN C=CC[NH+]1CCN(C(=S)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC001197095907 747049370 /nfs/dbraw/zinc/04/93/70/747049370.db2.gz OBGKMWFSJHQEEC-UHFFFAOYSA-N 0 2 305.403 1.885 20 30 DDEDLN N#Cc1ccc(NC/C=C/CNC(=O)C(F)C(F)(F)F)nc1 ZINC001107561293 750139541 /nfs/dbraw/zinc/13/95/41/750139541.db2.gz KASHZSLEGOYTSM-FMBMQGQPSA-N 0 2 316.258 1.938 20 30 DDEDLN N#Cc1ccc(NC/C=C/CNC(=O)[C@@H](F)C(F)(F)F)nc1 ZINC001107561293 750139545 /nfs/dbraw/zinc/13/95/45/750139545.db2.gz KASHZSLEGOYTSM-FMBMQGQPSA-N 0 2 316.258 1.938 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1 ZINC001110933294 750240550 /nfs/dbraw/zinc/24/05/50/750240550.db2.gz IXDSEUSOEQECLR-LOWDOPEQSA-N 0 2 319.409 1.334 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001098327176 762064582 /nfs/dbraw/zinc/06/45/82/762064582.db2.gz CFYPUAJUMLVDSG-XPUUQOCRSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001098327176 762064591 /nfs/dbraw/zinc/06/45/91/762064591.db2.gz CFYPUAJUMLVDSG-XPUUQOCRSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001109274404 763537252 /nfs/dbraw/zinc/53/72/52/763537252.db2.gz DXOAEQXERPLFSU-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H](F)C(F)(F)F ZINC001109274404 763537254 /nfs/dbraw/zinc/53/72/54/763537254.db2.gz DXOAEQXERPLFSU-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccncc1C#N ZINC001113934849 766426051 /nfs/dbraw/zinc/42/60/51/766426051.db2.gz RPTOFNWFSYAJTQ-GZMMTYOYSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1ccncc1C#N ZINC001113934849 766426054 /nfs/dbraw/zinc/42/60/54/766426054.db2.gz RPTOFNWFSYAJTQ-GZMMTYOYSA-N 0 2 318.274 1.795 20 30 DDEDLN CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001070841332 768751766 /nfs/dbraw/zinc/75/17/66/768751766.db2.gz PNDZBLJTWFNGIL-ZYHUDNBSSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001070841332 768751772 /nfs/dbraw/zinc/75/17/72/768751772.db2.gz PNDZBLJTWFNGIL-ZYHUDNBSSA-N 0 2 322.302 1.653 20 30 DDEDLN CN(CCNc1ncc(C#N)cc1F)C(=O)C(F)C(F)(F)F ZINC001102003289 777787024 /nfs/dbraw/zinc/78/70/24/777787024.db2.gz RXMMEHDESRPFTK-SECBINFHSA-N 0 2 322.237 1.863 20 30 DDEDLN CN(CCNc1ncc(C#N)cc1F)C(=O)[C@@H](F)C(F)(F)F ZINC001102003289 777787032 /nfs/dbraw/zinc/78/70/32/777787032.db2.gz RXMMEHDESRPFTK-SECBINFHSA-N 0 2 322.237 1.863 20 30 DDEDLN C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001180279874 779702812 /nfs/dbraw/zinc/70/28/12/779702812.db2.gz NJTPTDLAQFHZCG-WMZOPIPTSA-N 0 2 322.412 1.514 20 30 DDEDLN C=CCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)CO2 ZINC001327403243 862143860 /nfs/dbraw/zinc/14/38/60/862143860.db2.gz BRPUOSPTPKXAOJ-CVEARBPZSA-N 0 2 321.465 1.396 20 30 DDEDLN C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CCO[C@@H](C)C1 ZINC001122490641 858848733 /nfs/dbraw/zinc/84/87/33/858848733.db2.gz PDRNUSZERDMGJH-VIFPVBQESA-N 0 2 323.788 1.518 20 30 DDEDLN C=CCOCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001329476349 863689604 /nfs/dbraw/zinc/68/96/04/863689604.db2.gz ZHWURURYXGHZSS-GJZGRUSLSA-N 0 2 320.437 1.085 20 30 DDEDLN CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001332111448 865585652 /nfs/dbraw/zinc/58/56/52/865585652.db2.gz NALOBQZADILDAF-SOLBZPMBSA-N 0 2 314.433 1.971 20 30 DDEDLN Cn1cc(N2CC[C@H](/N=C/c3cc([N+](=O)[O-])ccc3O)C2)cn1 ZINC001322956219 866215036 /nfs/dbraw/zinc/21/50/36/866215036.db2.gz ZLENISFSHYOYDY-QFULYMJESA-N 0 2 315.333 1.732 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N[C@]1(C)CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001324642364 867424987 /nfs/dbraw/zinc/42/49/87/867424987.db2.gz TYQUBSMCNUQOFZ-XHDPSFHLSA-N 0 2 307.398 1.193 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N[C@]1(C)CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001324642364 867424990 /nfs/dbraw/zinc/42/49/90/867424990.db2.gz TYQUBSMCNUQOFZ-XHDPSFHLSA-N 0 2 307.398 1.193 20 30 DDEDLN C#CCCCC(=O)N[C@H](CC)CNC(=O)[C@H](F)C(F)(F)F ZINC001297422713 870042357 /nfs/dbraw/zinc/04/23/57/870042357.db2.gz WCXLUCLWMNQNAS-KOLCDFICSA-N 0 2 310.291 1.701 20 30 DDEDLN C#CCCCC(=O)N[C@@H](CC)CNC(=O)C(F)C(F)(F)F ZINC001297422715 870032013 /nfs/dbraw/zinc/03/20/13/870032013.db2.gz WCXLUCLWMNQNAS-ONGXEEELSA-N 0 2 310.291 1.701 20 30 DDEDLN C#CCCCC(=O)N[C@@H](CC)CNC(=O)[C@H](F)C(F)(F)F ZINC001297422715 870032028 /nfs/dbraw/zinc/03/20/28/870032028.db2.gz WCXLUCLWMNQNAS-ONGXEEELSA-N 0 2 310.291 1.701 20 30 DDEDLN C#CCCCC(=O)N[C@H](CC)CNC(=O)C(F)C(F)(F)F ZINC001297422713 870042354 /nfs/dbraw/zinc/04/23/54/870042354.db2.gz WCXLUCLWMNQNAS-KOLCDFICSA-N 0 2 310.291 1.701 20 30 DDEDLN C=CCCC(=O)N1CCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001297657800 870126592 /nfs/dbraw/zinc/12/65/92/870126592.db2.gz BCMQUPVXLCXSSM-KOLCDFICSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)N1CCC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001297657800 870126594 /nfs/dbraw/zinc/12/65/94/870126594.db2.gz BCMQUPVXLCXSSM-KOLCDFICSA-N 0 2 310.291 1.960 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CC12CCSCC2 ZINC001343619901 872688607 /nfs/dbraw/zinc/68/86/07/872688607.db2.gz XWSDLATZITXVRR-MNOVXSKESA-N 0 2 303.387 1.845 20 30 DDEDLN CCC1=C(Oc2[nH]c(=O)nnc2Br)C(=O)[C@@H](C)O1 ZINC001227064427 882804368 /nfs/dbraw/zinc/80/43/68/882804368.db2.gz PBZIKRBBRSFJOH-SCSAIBSYSA-N 0 2 316.111 1.328 20 30 DDEDLN C=C1O[C@@H](C)C(=O)C1Oc1[nH]c(=O)ncc1Br ZINC001227139022 882871558 /nfs/dbraw/zinc/87/15/58/882871558.db2.gz XSEXOXNKTRTLHO-BYPYZUCNSA-N 0 2 301.096 1.543 20 30 DDEDLN C=CCCC(=O)NC[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001356279183 878958372 /nfs/dbraw/zinc/95/83/72/878958372.db2.gz YJBPKMWSRHWPES-MWLCHTKSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)NC[C@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001356279183 878958376 /nfs/dbraw/zinc/95/83/76/878958376.db2.gz YJBPKMWSRHWPES-MWLCHTKSSA-N 0 2 310.291 1.960 20 30 DDEDLN Cn1c(=O)[nH]c(N[C@H]2CSc3ccccc32)c(C#N)c1=O ZINC001413875853 879741232 /nfs/dbraw/zinc/74/12/32/879741232.db2.gz BAVCBKGFDBGKBF-JTQLQIEISA-N 0 2 300.343 1.204 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC(N(C)C(=O)C(F)C(F)(F)F)C2)C1 ZINC001358735569 880830186 /nfs/dbraw/zinc/83/01/86/880830186.db2.gz UVVUTQGXSRIIBL-JTQLQIEISA-N 0 2 322.302 1.912 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC(N(C)C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001358735569 880830205 /nfs/dbraw/zinc/83/02/05/880830205.db2.gz UVVUTQGXSRIIBL-JTQLQIEISA-N 0 2 322.302 1.912 20 30 DDEDLN C=C[C@@H](Oc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)C(=O)OC ZINC001229623933 884083585 /nfs/dbraw/zinc/08/35/85/884083585.db2.gz LULONKDURIJTCK-NEPJUHHUSA-N 0 2 321.354 1.687 20 30 DDEDLN CC[C@@H](C)n1nc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)cc1C ZINC001364556491 888919827 /nfs/dbraw/zinc/91/98/27/888919827.db2.gz DRCJKOQMEJOSAB-MRVPVSSYSA-N 0 2 302.338 1.165 20 30 DDEDLN N#Cc1c[n-]n2c1nc(C[N@@H+]1CCO[C@H](C(F)F)CC1)cc2=O ZINC001365318054 890575829 /nfs/dbraw/zinc/57/58/29/890575829.db2.gz SSRYEJAOLQHNCS-NSHDSACASA-N 0 2 323.303 1.163 20 30 DDEDLN N#Cc1c[n-]n2c1nc(C[N@H+]1CCO[C@H](C(F)F)CC1)cc2=O ZINC001365318054 890575837 /nfs/dbraw/zinc/57/58/37/890575837.db2.gz SSRYEJAOLQHNCS-NSHDSACASA-N 0 2 323.303 1.163 20 30 DDEDLN Cc1cc(F)cc(C#N)c1S(=O)(=O)Nc1nnn(C(C)C)n1 ZINC001365739169 891429418 /nfs/dbraw/zinc/42/94/18/891429418.db2.gz DCOLUYIPDIKUBI-UHFFFAOYSA-N 0 2 324.341 1.374 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1cccc2ccccc21 ZINC001250625068 894343689 /nfs/dbraw/zinc/34/36/89/894343689.db2.gz ZFQGRUOXKQIDJO-CYBMUJFWSA-N 0 2 318.354 1.573 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1cnc2c(c1)COCC2 ZINC001258185090 898095208 /nfs/dbraw/zinc/09/52/08/898095208.db2.gz JQHUKPMLDFLAJV-UHFFFAOYSA-N 0 2 315.354 1.827 20 30 DDEDLN C=CCCC(=O)N[C@@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001299515726 898254471 /nfs/dbraw/zinc/25/44/71/898254471.db2.gz RMPYQFNWXQNWFU-PWSUYJOCSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)N[C@@]1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001299515726 898254489 /nfs/dbraw/zinc/25/44/89/898254489.db2.gz RMPYQFNWXQNWFU-PWSUYJOCSA-N 0 2 310.291 1.960 20 30 DDEDLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C#N)n2)cc1 ZINC001260233893 899104392 /nfs/dbraw/zinc/10/43/92/899104392.db2.gz TYCQOXXFTUTZQD-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN O=C(CC(F)(F)F)N1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001396742399 914362676 /nfs/dbraw/zinc/36/26/76/914362676.db2.gz ZFOCGMGHCJHXAD-VDTYLAMSSA-N 0 2 324.196 1.556 20 30 DDEDLN O=C(CC(F)(F)F)N1CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001396742399 914362692 /nfs/dbraw/zinc/36/26/92/914362692.db2.gz ZFOCGMGHCJHXAD-VDTYLAMSSA-N 0 2 324.196 1.556 20 30 DDEDLN COCCn1cc(NS(=O)(=O)c2ccc(C#N)cc2C)cn1 ZINC000076936164 185057807 /nfs/dbraw/zinc/05/78/07/185057807.db2.gz RWRMVWDIMFEXKT-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN CC[C@@]1(CO)CCCN1C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000331313098 529560244 /nfs/dbraw/zinc/56/02/44/529560244.db2.gz WBBNFULJKFTHDJ-HNNXBMFYSA-N 0 2 321.402 1.758 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000088475556 185252623 /nfs/dbraw/zinc/25/26/23/185252623.db2.gz ILZMHRKKEBDPNY-JTQLQIEISA-N 0 2 302.377 1.134 20 30 DDEDLN CSC[C@@H]1CCCN1C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000157760651 290733036 /nfs/dbraw/zinc/73/30/36/290733036.db2.gz JEHLWTAVSBNHOP-JTQLQIEISA-N 0 2 323.443 1.936 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cn(C)nc2C)n1 ZINC000073091855 353236988 /nfs/dbraw/zinc/23/69/88/353236988.db2.gz WMLLOAGAVBGUCP-VIFPVBQESA-N 0 2 318.358 1.852 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cn(C)nc2C)n1 ZINC000073091855 353236989 /nfs/dbraw/zinc/23/69/89/353236989.db2.gz WMLLOAGAVBGUCP-VIFPVBQESA-N 0 2 318.358 1.852 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nc3n(n2)CCCC3)cc1F ZINC000590745068 355160831 /nfs/dbraw/zinc/16/08/31/355160831.db2.gz FRVJDZNTXBHTNF-UHFFFAOYSA-N 0 2 321.337 1.426 20 30 DDEDLN Cc1[nH]ncc1CCCNS(=O)(=O)c1ccsc1C#N ZINC000593595874 355937366 /nfs/dbraw/zinc/93/73/66/355937366.db2.gz JZTUJLYBLCZGBK-UHFFFAOYSA-N 0 2 310.404 1.562 20 30 DDEDLN CC[C@@H](C#N)C(=O)N[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 ZINC000593443831 355886798 /nfs/dbraw/zinc/88/67/98/355886798.db2.gz ISTKPKRIEOEIJT-JQWIXIFHSA-N 0 2 317.345 1.943 20 30 DDEDLN Cc1nn(-c2ccc(C#N)cc2)c(=NC(=O)c2ccccc2O)[nH]1 ZINC000610232891 360392749 /nfs/dbraw/zinc/39/27/49/360392749.db2.gz PYDXDRWAHVRZHS-UHFFFAOYSA-N 0 2 319.324 1.827 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)NCC(F)(F)Br)o1 ZINC000288459229 220156679 /nfs/dbraw/zinc/15/66/79/220156679.db2.gz ABZGCZVBZCXLNR-UHFFFAOYSA-N 0 2 315.095 1.417 20 30 DDEDLN COC[C@@H](C)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000101761731 193840709 /nfs/dbraw/zinc/84/07/09/193840709.db2.gz PGYHRTPHYCIEGF-GFCCVEGCSA-N 0 2 320.368 1.564 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(CC(C)=O)C(C)C)cc1C#N ZINC000633224945 422814603 /nfs/dbraw/zinc/81/46/03/422814603.db2.gz LWFIPAYPAXTQHQ-UHFFFAOYSA-N 0 2 307.375 1.820 20 30 DDEDLN Cc1n[nH]c(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)n1 ZINC000103256208 407335421 /nfs/dbraw/zinc/33/54/21/407335421.db2.gz LGHWKIVNNLOENH-UHFFFAOYSA-N 0 2 324.348 1.216 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(F)cn1 ZINC000185615233 407464001 /nfs/dbraw/zinc/46/40/01/407464001.db2.gz OLWRPDPNYFLOPO-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN N#C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)C1CC1 ZINC000181059550 407951500 /nfs/dbraw/zinc/95/15/00/407951500.db2.gz PNNHEDFKWDAWDC-LBPRGKRZSA-N 0 2 300.293 1.749 20 30 DDEDLN C=CCN1CC[C@@H](N(C)C(=O)c2cc(F)c(O)c(F)c2)C1=O ZINC000281802987 408932717 /nfs/dbraw/zinc/93/27/17/408932717.db2.gz TUYMHVWHVQRAAW-GFCCVEGCSA-N 0 2 310.300 1.529 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)CF)cc2[nH]c1=S ZINC000288430500 409167744 /nfs/dbraw/zinc/16/77/44/409167744.db2.gz XZGYVVBNROFVDY-SECBINFHSA-N 0 2 321.377 1.959 20 30 DDEDLN CC(C)c1nn(C)cc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000314221998 164013856 /nfs/dbraw/zinc/01/38/56/164013856.db2.gz PBYGOQYFQCRBQZ-UHFFFAOYSA-N 0 2 305.363 1.611 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](O)C2(C)C)cc1C#N ZINC000408240665 164272241 /nfs/dbraw/zinc/27/22/41/164272241.db2.gz OPRQBTUKEQDWJN-SNVBAGLBSA-N 0 2 307.375 1.366 20 30 DDEDLN C[C@@H]1CCCC[C@H]1CC(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408489431 164347872 /nfs/dbraw/zinc/34/78/72/164347872.db2.gz SKGXVKIDWOKDAX-YPMHNXCESA-N 0 2 321.402 1.975 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)c1 ZINC000357331645 409977805 /nfs/dbraw/zinc/97/78/05/409977805.db2.gz SQDQVUXJFLOQQP-UHFFFAOYSA-N 0 2 316.298 1.601 20 30 DDEDLN COC(=O)c1ccncc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000350742214 409990006 /nfs/dbraw/zinc/99/00/06/409990006.db2.gz USHBHQWBXRSOGG-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN Cc1nc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[nH]2)ccc1C#N ZINC000329184963 410151141 /nfs/dbraw/zinc/15/11/41/410151141.db2.gz PIIBWUCONWYRHC-LBPRGKRZSA-N 0 2 312.333 1.453 20 30 DDEDLN CN=c1[nH]nc(CC(=O)Nc2cc(C#N)ccc2NC)s1 ZINC000355641864 410621568 /nfs/dbraw/zinc/62/15/68/410621568.db2.gz IFOASUZXKAYYLB-UHFFFAOYSA-N 0 2 302.363 1.674 20 30 DDEDLN CC(C)CCc1nnc(NS(=O)(=O)c2cncc(C#N)c2)o1 ZINC000290953039 222026730 /nfs/dbraw/zinc/02/67/30/222026730.db2.gz NFTVMSYAGXLKTH-UHFFFAOYSA-N 0 2 321.362 1.726 20 30 DDEDLN Cc1ccc(N2CCC(=C([O-])[NH+]=C3C[C@@H](C)ON3)C2=O)cc1C ZINC000371274374 418773275 /nfs/dbraw/zinc/77/32/75/418773275.db2.gz DYEMGEUGLWJZIV-OCCSQVGLSA-N 0 2 315.373 1.895 20 30 DDEDLN Cc1nnc(N2CCN(c3ncccc3C#N)CC2)c(C#N)c1C ZINC000298164989 228391017 /nfs/dbraw/zinc/39/10/17/228391017.db2.gz VCBYCTMXJOYFEH-UHFFFAOYSA-N 0 2 319.372 1.558 20 30 DDEDLN CC[C@]1(O)CCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000428746290 419925430 /nfs/dbraw/zinc/92/54/30/419925430.db2.gz SFZWEDKBFCPRGX-AWEZNQCLSA-N 0 2 307.375 1.368 20 30 DDEDLN C=CCn1cccc1C(=O)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000420113059 420120253 /nfs/dbraw/zinc/12/02/53/420120253.db2.gz DVBCNHLDKZHZAW-NSHDSACASA-N 0 2 301.350 1.865 20 30 DDEDLN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000437502259 420408051 /nfs/dbraw/zinc/40/80/51/420408051.db2.gz UZLOHBLGGDPMQL-QMTHXVAHSA-N 0 2 316.361 1.385 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC(OC(F)F)C2)cc1C#N ZINC000437616185 420415176 /nfs/dbraw/zinc/41/51/76/420415176.db2.gz UOYHVGJRGPCQJB-UHFFFAOYSA-N 0 2 315.301 1.444 20 30 DDEDLN CC1(c2nc(=NC(=O)c3ccc(C#N)c(O)c3)s[nH]2)CC1 ZINC000529699704 421553043 /nfs/dbraw/zinc/55/30/43/421553043.db2.gz VDGNXXIJIKYHPZ-UHFFFAOYSA-N 0 2 300.343 1.841 20 30 DDEDLN Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1=O ZINC000574714023 422163448 /nfs/dbraw/zinc/16/34/48/422163448.db2.gz SGIBICSDEQSLIO-IHRRRGAJSA-N 0 2 301.394 1.193 20 30 DDEDLN N#Cc1nc(NC(=O)c2cncc(C(F)(F)F)c2)[nH]c1C#N ZINC000347918381 269991435 /nfs/dbraw/zinc/99/14/35/269991435.db2.gz UQVQSRFWXITAOC-UHFFFAOYSA-N 0 2 306.207 1.819 20 30 DDEDLN CCN(CC(C)(C)O)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000349779664 266109308 /nfs/dbraw/zinc/10/93/08/266109308.db2.gz TVFZLFHLXGHVBJ-UHFFFAOYSA-N 0 2 309.391 1.614 20 30 DDEDLN N#Cc1nc(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)[nH]c1C#N ZINC000343011208 268324119 /nfs/dbraw/zinc/32/41/19/268324119.db2.gz XVPBOKXQALXZPW-UHFFFAOYSA-N 0 2 321.256 1.795 20 30 DDEDLN C=CCCCCCNC(=O)Cc1c(C)nc2cc[nH]n2c1=O ZINC000580324813 333168953 /nfs/dbraw/zinc/16/89/53/333168953.db2.gz GGCRALIATIAZGL-UHFFFAOYSA-N 0 2 302.378 1.736 20 30 DDEDLN Cn1cc(C(=O)C(C#N)c2ccncn2)c(-c2cccnc2)n1 ZINC000680617002 486243548 /nfs/dbraw/zinc/24/35/48/486243548.db2.gz AFIYQUVDRHLFQF-GFCCVEGCSA-N 0 2 304.313 1.762 20 30 DDEDLN Cn1cc(C(=O)[C@H](C#N)c2ccncn2)c(-c2cccnc2)n1 ZINC000680617002 486243551 /nfs/dbraw/zinc/24/35/51/486243551.db2.gz AFIYQUVDRHLFQF-GFCCVEGCSA-N 0 2 304.313 1.762 20 30 DDEDLN CCO[C@@H]1C[C@@]([NH2+]Cc2nc(C#N)cs2)(C(=O)[O-])C1(C)C ZINC000417574812 527883705 /nfs/dbraw/zinc/88/37/05/527883705.db2.gz FARMQUZDGCQXCC-QMTHXVAHSA-N 0 2 309.391 1.763 20 30 DDEDLN CN(C(=O)[O-])C1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000737941060 602783775 /nfs/dbraw/zinc/78/37/75/602783775.db2.gz XUQDBMIFMKFIMO-AWEZNQCLSA-N 0 2 316.361 1.159 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@H]1CC(=O)[O-] ZINC000833066128 604469100 /nfs/dbraw/zinc/46/91/00/604469100.db2.gz OVHZDPKEKCUSRC-JTQLQIEISA-N 0 2 300.322 1.183 20 30 DDEDLN CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000833505099 604767249 /nfs/dbraw/zinc/76/72/49/604767249.db2.gz HGRGAHXRSBIYCN-AWEZNQCLSA-N 0 2 316.361 1.516 20 30 DDEDLN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000833505099 604767250 /nfs/dbraw/zinc/76/72/50/604767250.db2.gz HGRGAHXRSBIYCN-AWEZNQCLSA-N 0 2 316.361 1.516 20 30 DDEDLN C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C[C@H](C(=O)[O-])CC1=O ZINC000833374574 605170284 /nfs/dbraw/zinc/17/02/84/605170284.db2.gz RFBGYGCLCMPGMW-CQSZACIVSA-N 0 2 318.373 1.574 20 30 DDEDLN C=CC[N@H+](Cc1ccc(OC)cc1)CN1C[C@H](C(=O)[O-])CC1=O ZINC000833374574 605170288 /nfs/dbraw/zinc/17/02/88/605170288.db2.gz RFBGYGCLCMPGMW-CQSZACIVSA-N 0 2 318.373 1.574 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1 ZINC000833965602 605684513 /nfs/dbraw/zinc/68/45/13/605684513.db2.gz CCYODYRLGAWPCI-YPMHNXCESA-N 0 2 302.334 1.107 20 30 DDEDLN N#C[C@H]1CN(C(=O)[O-])C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000833967043 605686904 /nfs/dbraw/zinc/68/69/04/605686904.db2.gz PFCGSTLZZYVNEF-DZGCQCFKSA-N 0 2 311.345 1.464 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCCOc1cccnc1 ZINC000122910263 696726517 /nfs/dbraw/zinc/72/65/17/696726517.db2.gz VPSACNVUNNUPBI-ZDUSSCGKSA-N 0 2 312.329 1.566 20 30 DDEDLN CCc1noc(CC)c1CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000123127507 696728823 /nfs/dbraw/zinc/72/88/23/696728823.db2.gz VBRFKPNNTUGXAA-LLVKDONJSA-N 0 2 314.345 1.667 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCc1ccc(C#N)cc1 ZINC000122975878 696727220 /nfs/dbraw/zinc/72/72/20/696727220.db2.gz JIFINNYADZAASD-AWEZNQCLSA-N 0 2 306.325 1.816 20 30 DDEDLN C[C@H](Oc1ccccc1C#N)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000123211948 696729691 /nfs/dbraw/zinc/72/96/91/696729691.db2.gz KAONUEGOEIIIPD-AAEUAGOBSA-N 0 2 322.324 1.651 20 30 DDEDLN CC(=O)c1ccc(S(=O)(=O)Nc2cnn(CC#N)c2)cc1 ZINC000747407638 700068465 /nfs/dbraw/zinc/06/84/65/700068465.db2.gz RTTBSOFGBKREPA-UHFFFAOYSA-N 0 2 304.331 1.410 20 30 DDEDLN O=C(CS(=O)(=O)c1ccc(Cl)cc1)N=C1NCCS1 ZINC000048823452 696217915 /nfs/dbraw/zinc/21/79/15/696217915.db2.gz BNKJOSFXIAGFJU-UHFFFAOYSA-N 0 2 318.807 1.333 20 30 DDEDLN CCNC(=O)N1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000155056563 696941762 /nfs/dbraw/zinc/94/17/62/696941762.db2.gz JTADPJDUWGHGMS-AXLKIAQESA-N 0 2 306.322 1.523 20 30 DDEDLN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C(F)F)C1=O ZINC000194361677 697706484 /nfs/dbraw/zinc/70/64/84/697706484.db2.gz LWJQDTDJSYJFFZ-CYBMUJFWSA-N 0 2 305.325 1.954 20 30 DDEDLN Cc1ccc2c(n1)[nH]cc(C(=O)NCc1ccc(C#N)cn1)c2=O ZINC000782030633 698676795 /nfs/dbraw/zinc/67/67/95/698676795.db2.gz TXDCSXKNFZUPHR-UHFFFAOYSA-N 0 2 319.324 1.841 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCC(=O)c2cccn21 ZINC000789453168 699386976 /nfs/dbraw/zinc/38/69/76/699386976.db2.gz MWYQPIHDUYMRRK-PWSUYJOCSA-N 0 2 310.313 1.331 20 30 DDEDLN Cn1ncc2c1nc(N=NCCc1ccc(F)cc1)[nH]c2=O ZINC000769819074 701257961 /nfs/dbraw/zinc/25/79/61/701257961.db2.gz LTKJQDLPIBBMEW-UHFFFAOYSA-N 0 2 300.297 1.848 20 30 DDEDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCCOCCC#N ZINC000815241767 701829332 /nfs/dbraw/zinc/82/93/32/701829332.db2.gz YTFRICDJQFGTFD-VIFPVBQESA-N 0 2 310.272 1.163 20 30 DDEDLN CC(C)Oc1ccc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)cc1 ZINC000842613887 702742070 /nfs/dbraw/zinc/74/20/70/702742070.db2.gz BBRZTOWZEDMHDA-UHFFFAOYSA-N 0 2 313.313 1.078 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@@H]1OCc2ccccc21 ZINC000847664898 703449941 /nfs/dbraw/zinc/44/99/41/703449941.db2.gz MMGAIZTUCNOMCZ-ZFWWWQNUSA-N 0 2 309.325 1.973 20 30 DDEDLN CO[C@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C1CCCCC1 ZINC000850899799 703763058 /nfs/dbraw/zinc/76/30/58/703763058.db2.gz WNMNTFHYRVYARW-WFASDCNBSA-N 0 2 303.362 1.907 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@H]1Cc2ccccc2O1 ZINC000870242394 703970522 /nfs/dbraw/zinc/97/05/22/703970522.db2.gz BTLYCWUBWSQFLF-OLZOCXBDSA-N 0 2 309.325 1.705 20 30 DDEDLN N#CCN(C(=O)c1ccc(CNC(=O)C(F)(F)F)o1)C1CC1 ZINC000858755612 704753169 /nfs/dbraw/zinc/75/31/69/704753169.db2.gz YWQXMVBQPFPSHS-UHFFFAOYSA-N 0 2 315.251 1.586 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)C2CC(OC)C2)n1 ZINC000860504775 705206680 /nfs/dbraw/zinc/20/66/80/705206680.db2.gz NJXOOHMFQLQPQP-UDNWOFFPSA-N 0 2 308.359 1.921 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)C2CC(OC)C2)n1 ZINC000860504775 705206682 /nfs/dbraw/zinc/20/66/82/705206682.db2.gz NJXOOHMFQLQPQP-UDNWOFFPSA-N 0 2 308.359 1.921 20 30 DDEDLN C=CCOC[C@@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(=O)[O-] ZINC000909770044 709610157 /nfs/dbraw/zinc/61/01/57/709610157.db2.gz DQTVAYTZCVQPLF-OLZOCXBDSA-N 0 2 309.366 1.242 20 30 DDEDLN CC[C@]1(C)NC(=O)N(N=Cc2cc([N+](=O)[O-])ccc2O)C1=O ZINC000916329273 713451180 /nfs/dbraw/zinc/45/11/80/713451180.db2.gz BTFZIPZSOBOYNR-ZDUSSCGKSA-N 0 2 306.278 1.355 20 30 DDEDLN C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC000969165668 719984797 /nfs/dbraw/zinc/98/47/97/719984797.db2.gz ALJHWXOLWRKHFV-AXTSPUMRSA-N 0 2 321.274 1.248 20 30 DDEDLN C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(F)(F)F ZINC000969165668 719984798 /nfs/dbraw/zinc/98/47/98/719984798.db2.gz ALJHWXOLWRKHFV-AXTSPUMRSA-N 0 2 321.274 1.248 20 30 DDEDLN CCCCO[C@@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1(C)C ZINC001120901140 782220640 /nfs/dbraw/zinc/22/06/40/782220640.db2.gz ICHOJZPMGBWIIZ-VXGBXAGGSA-N 0 2 320.393 1.341 20 30 DDEDLN N#Cc1c(O[C@@H]2C[NH2+]CC2(F)F)[n-]c(=O)cc1C(F)(F)F ZINC001218230520 736263604 /nfs/dbraw/zinc/26/36/04/736263604.db2.gz AAZOIOCXWRXTJD-SSDOTTSWSA-N 0 2 309.194 1.664 20 30 DDEDLN C=CCC1(S(=O)(=O)Nc2ncsc2C(=O)OC)CC1 ZINC001190772962 745325713 /nfs/dbraw/zinc/32/57/13/745325713.db2.gz NUZJOOIYGRWPJW-UHFFFAOYSA-N 0 2 302.377 1.780 20 30 DDEDLN CCc1ccc(OC)c(S(=O)(=O)Nc2cnn(C)c2C#N)c1 ZINC001192776312 745888604 /nfs/dbraw/zinc/88/86/04/745888604.db2.gz YIEKMBRXMYEUIE-UHFFFAOYSA-N 0 2 320.374 1.664 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2cncc(C#N)c2)c1 ZINC001193641471 746158879 /nfs/dbraw/zinc/15/88/79/746158879.db2.gz ZUFYMOZUPYYNSU-UHFFFAOYSA-N 0 2 314.326 1.634 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1c(C)cccc1Cl ZINC001195328354 746567540 /nfs/dbraw/zinc/56/75/40/746567540.db2.gz PGBFZYRJYTXAMR-SNVBAGLBSA-N 0 2 316.766 1.382 20 30 DDEDLN CCOc1cnc(NS(=O)(=O)c2ccc(C)c(C#N)c2)cn1 ZINC001201294691 748467472 /nfs/dbraw/zinc/46/74/72/748467472.db2.gz DGFKDEDGLUWDMP-UHFFFAOYSA-N 0 2 318.358 1.856 20 30 DDEDLN CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1[nH]nc(C)c1[O-])CC2 ZINC001035176880 751264987 /nfs/dbraw/zinc/26/49/87/751264987.db2.gz SDGPNEWWFLCJIL-UHFFFAOYSA-N 0 2 316.405 1.375 20 30 DDEDLN CC#CC[N@H+]1CCC2(C1)CCN(C(=O)c1[nH]nc(C)c1[O-])CC2 ZINC001035176880 751264989 /nfs/dbraw/zinc/26/49/89/751264989.db2.gz SDGPNEWWFLCJIL-UHFFFAOYSA-N 0 2 316.405 1.375 20 30 DDEDLN N#CCN1CCC[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001040216832 762443137 /nfs/dbraw/zinc/44/31/37/762443137.db2.gz QGEMUGCJNMFBJR-CMPLNLGQSA-N 0 2 307.291 1.725 20 30 DDEDLN N#CCN1CCC[C@@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001040216832 762443139 /nfs/dbraw/zinc/44/31/39/762443139.db2.gz QGEMUGCJNMFBJR-CMPLNLGQSA-N 0 2 307.291 1.725 20 30 DDEDLN C=CCC1(C(=O)N2CCN(Cc3n[nH]c(=O)[nH]3)CC2)CCCC1 ZINC001113744415 766084569 /nfs/dbraw/zinc/08/45/69/766084569.db2.gz FTFKGMIDTDROSL-UHFFFAOYSA-N 0 2 319.409 1.291 20 30 DDEDLN O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001070841877 768752318 /nfs/dbraw/zinc/75/23/18/768752318.db2.gz YDCPBTPWFPWBTB-PWSUYJOCSA-N 0 2 320.286 1.407 20 30 DDEDLN O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001070841877 768752324 /nfs/dbraw/zinc/75/23/24/768752324.db2.gz YDCPBTPWFPWBTB-PWSUYJOCSA-N 0 2 320.286 1.407 20 30 DDEDLN C=C(Cl)C[N@@H+]1C[C@H]2CN(C(=O)c3cc(CC)[nH]n3)C[C@H]2C1 ZINC001048684991 769695717 /nfs/dbraw/zinc/69/57/17/769695717.db2.gz KHZJZDKVEVYRGN-TXEJJXNPSA-N 0 2 308.813 1.728 20 30 DDEDLN Cc1cc(C#N)nc(NCCCNC(=O)C(F)C(F)(F)F)n1 ZINC001094846539 776501747 /nfs/dbraw/zinc/50/17/47/776501747.db2.gz UYLOEFDXNGSMCA-SECBINFHSA-N 0 2 319.262 1.475 20 30 DDEDLN Cc1cc(C#N)nc(NCCCNC(=O)[C@@H](F)C(F)(F)F)n1 ZINC001094846539 776501751 /nfs/dbraw/zinc/50/17/51/776501751.db2.gz UYLOEFDXNGSMCA-SECBINFHSA-N 0 2 319.262 1.475 20 30 DDEDLN CN(CCNc1nccnc1C#N)C(=O)C(F)C(F)(F)F ZINC001102003247 777787063 /nfs/dbraw/zinc/78/70/63/777787063.db2.gz QFRCLUXQGBZHRG-MRVPVSSYSA-N 0 2 305.235 1.119 20 30 DDEDLN CN(CCNc1nccnc1C#N)C(=O)[C@@H](F)C(F)(F)F ZINC001102003247 777787068 /nfs/dbraw/zinc/78/70/68/777787068.db2.gz QFRCLUXQGBZHRG-MRVPVSSYSA-N 0 2 305.235 1.119 20 30 DDEDLN COC(=O)[C@@]1(C)COCCN1C(=O)[C@H](C#N)Cc1cccs1 ZINC001177912025 778781073 /nfs/dbraw/zinc/78/10/73/778781073.db2.gz KVLHDZWUGQOMLP-XHDPSFHLSA-N 0 2 322.386 1.221 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2cccnc2OC)cc1C#N ZINC001194711877 851224069 /nfs/dbraw/zinc/22/40/69/851224069.db2.gz QINIGSDPCIZTEJ-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN CO[C@H]1CCn2cc(C(=O)C(C#N)c3cccc(F)n3)nc2C1 ZINC001122736115 858954597 /nfs/dbraw/zinc/95/45/97/858954597.db2.gz QAARORLOJVTAFX-WDEREUQCSA-N 0 2 314.320 1.868 20 30 DDEDLN COC(=O)C1(C#N)CCN(Cc2c(O)cc(F)cc2F)CC1 ZINC001140585283 860658712 /nfs/dbraw/zinc/65/87/12/860658712.db2.gz CXYHFEYTFYNKQC-UHFFFAOYSA-N 0 2 310.300 1.949 20 30 DDEDLN CC#CC[N@H+](C)CCN(C(=O)CCCn1cc[nH+]c1)C(C)C ZINC001332741047 866109152 /nfs/dbraw/zinc/10/91/52/866109152.db2.gz RYLAGQSJZABSOD-UHFFFAOYSA-N 0 2 304.438 1.855 20 30 DDEDLN C=CCN(CCOC)c1nnc(-c2n[nH]c(Cl)n2)n1CC ZINC001340799954 871358614 /nfs/dbraw/zinc/35/86/14/871358614.db2.gz LIIAMOFGXGYKNA-UHFFFAOYSA-N 0 2 311.777 1.375 20 30 DDEDLN C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)C(=O)NCC(F)(F)F ZINC001317946867 871645247 /nfs/dbraw/zinc/64/52/47/871645247.db2.gz YBUYHBARBQTWTG-FHBHROPXSA-N 0 2 319.239 1.786 20 30 DDEDLN C=C1CCN(c2nnc(-c3n[nH]c(Cl)n3)n2CCOC)CC1 ZINC001341697203 871779725 /nfs/dbraw/zinc/77/97/25/871779725.db2.gz YJKYUWZMIPGVOI-UHFFFAOYSA-N 0 2 323.788 1.519 20 30 DDEDLN CCOC(=O)C(C)(C)ONC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001347897429 874302063 /nfs/dbraw/zinc/30/20/63/874302063.db2.gz KSQMZETYJWJPOK-UHFFFAOYSA-N 0 2 316.357 1.979 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@H](OC)C1 ZINC001356152267 878891998 /nfs/dbraw/zinc/89/19/98/878891998.db2.gz AMJSFUKDMSUWNY-QMMMGPOBSA-N 0 2 309.761 1.128 20 30 DDEDLN Cn1c(=O)[nH]c(N[C@@H]2COc3ccc(Cl)cc32)c(C#N)c1=O ZINC001364560622 888926612 /nfs/dbraw/zinc/92/66/12/888926612.db2.gz RTLRFNNKTOADCJ-SNVBAGLBSA-N 0 2 318.720 1.144 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccc(C)c(Cl)c1 ZINC001259137491 898488190 /nfs/dbraw/zinc/48/81/90/898488190.db2.gz VNORKGBOCMJILO-LLVKDONJSA-N 0 2 316.766 1.382 20 30 DDEDLN Cn1cnc(C(=O)[C@@H](C#N)C(=O)C2(c3ccccc3)CC2)cc1=O ZINC001263528744 900634238 /nfs/dbraw/zinc/63/42/38/900634238.db2.gz MWIHGIKTZAWQGD-CYBMUJFWSA-N 0 2 321.336 1.404 20 30 DDEDLN O=C(C#CC1CC1)N[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001293880841 914748656 /nfs/dbraw/zinc/74/86/56/914748656.db2.gz YDCPBTPWFPWBTB-JQWIXIFHSA-N 0 2 320.286 1.407 20 30 DDEDLN O=C(C#CC1CC1)N[C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001293880841 914748673 /nfs/dbraw/zinc/74/86/73/914748673.db2.gz YDCPBTPWFPWBTB-JQWIXIFHSA-N 0 2 320.286 1.407 20 30 DDEDLN CCN(CCCNC(=O)C#CC1CC1)C(=O)C(F)C(F)(F)F ZINC001283718007 907843125 /nfs/dbraw/zinc/84/31/25/907843125.db2.gz HOOPVKVDDQEZCJ-LBPRGKRZSA-N 0 2 322.302 1.655 20 30 DDEDLN CCN(CCCNC(=O)C#CC1CC1)C(=O)[C@H](F)C(F)(F)F ZINC001283718007 907843148 /nfs/dbraw/zinc/84/31/48/907843148.db2.gz HOOPVKVDDQEZCJ-LBPRGKRZSA-N 0 2 322.302 1.655 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)N1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001284931350 909755321 /nfs/dbraw/zinc/75/53/21/909755321.db2.gz HXRCBZBOJCBKKX-NSHDSACASA-N 0 2 304.394 1.190 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)NC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001284941441 909779865 /nfs/dbraw/zinc/77/98/65/909779865.db2.gz RGTICRRUQCLBKA-SKDRFNHKSA-N 0 2 310.291 1.816 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)NC1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001284941441 909779871 /nfs/dbraw/zinc/77/98/71/909779871.db2.gz RGTICRRUQCLBKA-SKDRFNHKSA-N 0 2 310.291 1.816 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCC[C@H]2O)cc1C#N ZINC000128138849 295672475 /nfs/dbraw/zinc/67/24/75/295672475.db2.gz JWKJSUGIWHSKFT-GHMZBOCLSA-N 0 2 307.375 1.002 20 30 DDEDLN C/N=C1\NC(=O)C(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])S1 ZINC000007883214 352128171 /nfs/dbraw/zinc/12/81/71/352128171.db2.gz OUBOYDPJPLVOGI-SNVBAGLBSA-N 0 2 322.346 1.449 20 30 DDEDLN C/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])S1 ZINC000007883214 352128176 /nfs/dbraw/zinc/12/81/76/352128176.db2.gz OUBOYDPJPLVOGI-SNVBAGLBSA-N 0 2 322.346 1.449 20 30 DDEDLN CNc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1[N+](=O)[O-] ZINC000026274756 352207079 /nfs/dbraw/zinc/20/70/79/352207079.db2.gz PCOIKDJKZJRNIQ-UHFFFAOYSA-N 0 2 311.261 1.355 20 30 DDEDLN N#Cc1nc(NC(=O)Cc2cc3ccccc3[nH]c2=O)[nH]c1C#N ZINC000047088087 352480482 /nfs/dbraw/zinc/48/04/82/352480482.db2.gz YKZSOVUYBVOBBT-UHFFFAOYSA-N 0 2 318.296 1.176 20 30 DDEDLN COC(=O)[C@H](C)CN(C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000068083274 353086901 /nfs/dbraw/zinc/08/69/01/353086901.db2.gz QTVJVNOSCKOREY-MRVPVSSYSA-N 0 2 323.374 1.262 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1scc(C(=O)OC)c1C ZINC000591339126 355292583 /nfs/dbraw/zinc/29/25/83/355292583.db2.gz CSXIOHVNYHCQCP-MRVPVSSYSA-N 0 2 302.377 1.887 20 30 DDEDLN C[C@H](C#N)CN(C(=O)c1cccc(-c2nc(=O)o[nH]2)c1)C1CC1 ZINC000597438514 357175848 /nfs/dbraw/zinc/17/58/48/357175848.db2.gz SMJBPGCNBVIUPP-SNVBAGLBSA-N 0 2 312.329 1.794 20 30 DDEDLN C[C@@H](CC#N)n1[nH]c(CN2C(=O)c3ccccc3C2=O)cc1=O ZINC000601936132 358744787 /nfs/dbraw/zinc/74/47/87/358744787.db2.gz PXGUYDBMAVDXQD-JTQLQIEISA-N 0 2 310.313 1.173 20 30 DDEDLN N#Cc1ccc(N2CCN(c3[nH+]cccc3C(=O)[O-])CC2)nc1 ZINC000604270303 359732323 /nfs/dbraw/zinc/73/23/23/359732323.db2.gz LFHRONMJMOPXKL-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN CC(C)C[C@H](C#N)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000608824852 360249363 /nfs/dbraw/zinc/24/93/63/360249363.db2.gz DGLLZFWKSGYRBD-SECBINFHSA-N 0 2 301.306 1.104 20 30 DDEDLN Cc1cc(C(=O)N[C@H](C#N)CC(C)C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000610114722 360383054 /nfs/dbraw/zinc/38/30/54/360383054.db2.gz YFPSWILGYQZYRU-VIFPVBQESA-N 0 2 315.333 1.413 20 30 DDEDLN CO[C@H](C)CS(=O)(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000193325712 201031096 /nfs/dbraw/zinc/03/10/96/201031096.db2.gz GAVQLBFJBGPIOV-MRVPVSSYSA-N 0 2 320.317 1.936 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(-n3cccn3)cc2)[nH]c1C#N ZINC000026271890 248183015 /nfs/dbraw/zinc/18/30/15/248183015.db2.gz OECDLVUHDMJOMS-UHFFFAOYSA-N 0 2 303.285 1.591 20 30 DDEDLN N#Cc1nc(NC(=O)CCc2nc(-c3ccco3)no2)[nH]c1C#N ZINC000026266881 248183955 /nfs/dbraw/zinc/18/39/55/248183955.db2.gz JKSBSBCVHYZRTE-UHFFFAOYSA-N 0 2 323.272 1.367 20 30 DDEDLN CCCC(=O)N1CCC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)C1 ZINC000056291267 184009273 /nfs/dbraw/zinc/00/92/73/184009273.db2.gz USXMHYSQFRRLKW-SNVBAGLBSA-N 0 2 314.349 1.130 20 30 DDEDLN COc1cccc2[nH]cc(CC(=O)Nc3nc(C#N)c(C#N)[nH]3)c21 ZINC000181220226 407967915 /nfs/dbraw/zinc/96/79/15/407967915.db2.gz DOOUTYVJFZDIPR-UHFFFAOYSA-N 0 2 320.312 1.824 20 30 DDEDLN Cn1cc(-c2[nH]ncc2C(=O)NCC2CCC(C#N)CC2)cn1 ZINC000282267162 409022392 /nfs/dbraw/zinc/02/23/92/409022392.db2.gz KGAVCVJZVZCDHG-UHFFFAOYSA-N 0 2 312.377 1.870 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@@H]2CCCOC2)cc1C#N ZINC000356978449 409765630 /nfs/dbraw/zinc/76/56/30/409765630.db2.gz KHMGCWLIAQVUHE-NXEZZACHSA-N 0 2 321.402 1.926 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCC2(O)CCC2)cc1C#N ZINC000357086606 409862252 /nfs/dbraw/zinc/86/22/52/409862252.db2.gz KIYCIUWSEZOGNA-UHFFFAOYSA-N 0 2 307.375 1.416 20 30 DDEDLN N#Cc1ccc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)o1 ZINC000347067213 410331676 /nfs/dbraw/zinc/33/16/76/410331676.db2.gz KQSHCTUVCXLJGJ-UHFFFAOYSA-N 0 2 323.312 1.778 20 30 DDEDLN N#Cc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1F ZINC000352026969 410427002 /nfs/dbraw/zinc/42/70/02/410427002.db2.gz MDRFQKFQQDFTCL-RQOWECAXSA-N 0 2 302.221 1.977 20 30 DDEDLN CC(C)(C(=O)N=c1ccc(=O)[nH][nH]1)c1cc(F)cc(C#N)c1 ZINC000343740282 410658895 /nfs/dbraw/zinc/65/88/95/410658895.db2.gz SJBWWOQDRDCKTP-UHFFFAOYSA-N 0 2 300.293 2.109 20 30 DDEDLN C=CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc1Cl ZINC000414959371 419893536 /nfs/dbraw/zinc/89/35/36/419893536.db2.gz FFIZGSXSBJETPQ-AWEZNQCLSA-N 0 2 309.841 1.898 20 30 DDEDLN C=CC(C)(C)CNC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000456117735 421103007 /nfs/dbraw/zinc/10/30/07/421103007.db2.gz PCUXMSQXCQGZFU-UHFFFAOYSA-N 0 2 302.334 1.686 20 30 DDEDLN N#CCc1ccnc(NS(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000532162597 421650177 /nfs/dbraw/zinc/65/01/77/421650177.db2.gz DZOLYCMALVBCAY-UHFFFAOYSA-N 0 2 315.354 1.979 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2C[C@@H](C)O)cc1C#N ZINC000344650964 272079854 /nfs/dbraw/zinc/07/98/54/272079854.db2.gz BKCJUWUYEKAEFB-KOLCDFICSA-N 0 2 321.402 1.756 20 30 DDEDLN COc1cc(C)c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1OC ZINC000125205300 281203647 /nfs/dbraw/zinc/20/36/47/281203647.db2.gz PCAFCYBIPRISLV-UHFFFAOYSA-N 0 2 311.301 1.731 20 30 DDEDLN CSc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cn1 ZINC000555136503 303711168 /nfs/dbraw/zinc/71/11/68/303711168.db2.gz IJAPBIPHIPSZJQ-UHFFFAOYSA-N 0 2 306.372 1.871 20 30 DDEDLN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC000573836684 308253079 /nfs/dbraw/zinc/25/30/79/308253079.db2.gz IMHYQUUNYSHKIQ-UHFFFAOYSA-N 0 2 323.353 1.845 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N(C[C@@H](C)C#N)C2CC2)c1 ZINC000424773725 533814309 /nfs/dbraw/zinc/81/43/09/533814309.db2.gz QGANZZNPWPMFJA-AMXDTQDGSA-N 0 2 320.414 1.953 20 30 DDEDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000330616358 534280830 /nfs/dbraw/zinc/28/08/30/534280830.db2.gz DRGBTEJRMXJZLY-VIFPVBQESA-N 0 2 307.306 1.616 20 30 DDEDLN C=C(C)CN(CC)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000445926678 526511638 /nfs/dbraw/zinc/51/16/38/526511638.db2.gz TXGMPLGOILKKMD-UHFFFAOYSA-N 0 2 310.423 1.621 20 30 DDEDLN C=CCOc1ccc(CC(=O)NCCCc2n[nH]c(=O)[nH]2)cc1 ZINC000450006208 526858626 /nfs/dbraw/zinc/85/86/26/526858626.db2.gz RCKCUCMDVJWVAY-UHFFFAOYSA-N 0 2 316.361 1.367 20 30 DDEDLN C=CCC[C@@H](CO)NC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000412398526 527433487 /nfs/dbraw/zinc/43/34/87/527433487.db2.gz GOVGKMJMHJUOPW-NSHDSACASA-N 0 2 301.346 1.701 20 30 DDEDLN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC(=O)[O-] ZINC000819882743 598043658 /nfs/dbraw/zinc/04/36/58/598043658.db2.gz IGQZDGWJKYPEOP-LLVKDONJSA-N 0 2 307.325 1.477 20 30 DDEDLN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC(=O)[O-] ZINC000819882743 598043661 /nfs/dbraw/zinc/04/36/61/598043661.db2.gz IGQZDGWJKYPEOP-LLVKDONJSA-N 0 2 307.325 1.477 20 30 DDEDLN CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000736348977 599758746 /nfs/dbraw/zinc/75/87/46/599758746.db2.gz FDLWMBALQXIWBM-GOEBONIOSA-N 0 2 303.362 1.456 20 30 DDEDLN C[N@H+](CC(=O)N(CCC#N)c1ccccc1)C(C)(C)C(=O)[O-] ZINC000737384893 600134492 /nfs/dbraw/zinc/13/44/92/600134492.db2.gz LSTCYZYJSXEKSN-UHFFFAOYSA-N 0 2 303.362 1.728 20 30 DDEDLN C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C(C)(C)C(=O)[O-] ZINC000737384893 600134495 /nfs/dbraw/zinc/13/44/95/600134495.db2.gz LSTCYZYJSXEKSN-UHFFFAOYSA-N 0 2 303.362 1.728 20 30 DDEDLN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000738620848 602823065 /nfs/dbraw/zinc/82/30/65/602823065.db2.gz ZEGZENWATRIAFE-SWLSCSKDSA-N 0 2 310.398 1.115 20 30 DDEDLN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000738620848 602823068 /nfs/dbraw/zinc/82/30/68/602823068.db2.gz ZEGZENWATRIAFE-SWLSCSKDSA-N 0 2 310.398 1.115 20 30 DDEDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)Cc1ccc(F)cc1C#N ZINC000739685770 602871117 /nfs/dbraw/zinc/87/11/17/602871117.db2.gz XYEGJBGEMNVGEU-UHFFFAOYSA-N 0 2 320.368 1.425 20 30 DDEDLN C[C@H](OCc1ccccc1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000122939161 696726909 /nfs/dbraw/zinc/72/69/09/696726909.db2.gz AEXHWVLOVHNSSB-GXTWGEPZSA-N 0 2 311.341 1.917 20 30 DDEDLN C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C(C)(C)C1 ZINC000977462960 696174140 /nfs/dbraw/zinc/17/41/40/696174140.db2.gz DUIMVMQKTKJHJE-GFCCVEGCSA-N 0 2 314.345 1.002 20 30 DDEDLN C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C(C)(C)C1 ZINC000977462960 696174143 /nfs/dbraw/zinc/17/41/43/696174143.db2.gz DUIMVMQKTKJHJE-GFCCVEGCSA-N 0 2 314.345 1.002 20 30 DDEDLN COCCNC(=O)C(C#N)=C(O)c1ccc(-c2ccccc2)[nH]1 ZINC000171796895 697362242 /nfs/dbraw/zinc/36/22/42/697362242.db2.gz DZOBBZUNZDMIFU-ZDUSSCGKSA-N 0 2 311.341 1.767 20 30 DDEDLN Cc1csc(CCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)n1 ZINC000774144936 697848604 /nfs/dbraw/zinc/84/86/04/697848604.db2.gz YUYCJDYOEJCIRV-JTQLQIEISA-N 0 2 302.359 1.709 20 30 DDEDLN COC(=O)[C@@H]1CCC[C@@H](C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000245903708 698340149 /nfs/dbraw/zinc/34/01/49/698340149.db2.gz AKHJROQOEAZMHV-UTUOFQBUSA-N 0 2 317.345 1.291 20 30 DDEDLN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C[C@H]1SC(=N)NC1=O ZINC000787841648 699248421 /nfs/dbraw/zinc/24/84/21/699248421.db2.gz APXVOYXCGHIHLJ-VXGBXAGGSA-N 0 2 314.370 1.218 20 30 DDEDLN CCOC(=O)C1(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CCC1 ZINC000789399696 699384023 /nfs/dbraw/zinc/38/40/23/699384023.db2.gz OSPGFWFKBGRWSF-LLVKDONJSA-N 0 2 317.345 1.435 20 30 DDEDLN O=c1[nH]ncc(NN=Cc2cc([N+](=O)[O-])ccc2O)c1Cl ZINC000730568268 699512955 /nfs/dbraw/zinc/51/29/55/699512955.db2.gz SBVJNVWLTWPDIZ-UHFFFAOYSA-N 0 2 309.669 1.895 20 30 DDEDLN N#CC(C(=O)Cn1ccccc1=O)c1cnc2ccccc2n1 ZINC000792110094 699676020 /nfs/dbraw/zinc/67/60/20/699676020.db2.gz XILGKZHRHIELCE-GFCCVEGCSA-N 0 2 304.309 1.668 20 30 DDEDLN C#C[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000794059066 699793022 /nfs/dbraw/zinc/79/30/22/699793022.db2.gz BRVKXJWYCWDISI-MNOVXSKESA-N 0 2 321.789 1.687 20 30 DDEDLN C#CCOc1cccc(NC(=O)CC2SC(=N)NC2=O)c1 ZINC000742649759 699885005 /nfs/dbraw/zinc/88/50/05/699885005.db2.gz GXMRDEHADPLBMY-NSHDSACASA-N 0 2 303.343 1.194 20 30 DDEDLN C=CCN(CC(=O)OCC)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000753987394 700474346 /nfs/dbraw/zinc/47/43/46/700474346.db2.gz QQVYNSYYNSQSII-UHFFFAOYSA-N 0 2 308.290 1.492 20 30 DDEDLN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000766047344 701035459 /nfs/dbraw/zinc/03/54/59/701035459.db2.gz LVBFXPZOWNTFOF-UHFFFAOYSA-N 0 2 317.326 1.662 20 30 DDEDLN C[C@@H](NC(=O)C1CCCC1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770866578 701298303 /nfs/dbraw/zinc/29/83/03/701298303.db2.gz UUCUJZDDICYKPB-PWSUYJOCSA-N 0 2 316.361 1.007 20 30 DDEDLN Cc1csc([C@@H](C#N)C(=O)[C@H]2CCc3nnn(C)c3C2)n1 ZINC000810519828 701782280 /nfs/dbraw/zinc/78/22/80/701782280.db2.gz MJPSXAARWPPSCQ-UWVGGRQHSA-N 0 2 301.375 1.561 20 30 DDEDLN Cn1nc(C(F)(F)F)cc1CNC(=O)C(F)C(F)(F)F ZINC000831033017 706624103 /nfs/dbraw/zinc/62/41/03/706624103.db2.gz RTXQYRGSVVXIAL-ZCFIWIBFSA-N 0 2 307.169 1.956 20 30 DDEDLN Cn1nc(C(F)(F)F)cc1CNC(=O)[C@@H](F)C(F)(F)F ZINC000831033017 706624106 /nfs/dbraw/zinc/62/41/06/706624106.db2.gz RTXQYRGSVVXIAL-ZCFIWIBFSA-N 0 2 307.169 1.956 20 30 DDEDLN N#CC(C(=O)CN1CCCCC1=O)c1cnc2ccccc2n1 ZINC000816045685 701999414 /nfs/dbraw/zinc/99/94/14/701999414.db2.gz TYVXUXLNOFTNHF-LBPRGKRZSA-N 0 2 308.341 1.819 20 30 DDEDLN CCc1ccc(C#CC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000843875516 702936503 /nfs/dbraw/zinc/93/65/03/702936503.db2.gz PCFQRQOKEMRLHX-UHFFFAOYSA-N 0 2 324.384 1.830 20 30 DDEDLN C=C(Br)C[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000846282796 703261258 /nfs/dbraw/zinc/26/12/58/703261258.db2.gz BYDPXURYPJJTOK-SECBINFHSA-N 0 2 315.171 1.522 20 30 DDEDLN C=C(Br)C[N@@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000846282796 703261259 /nfs/dbraw/zinc/26/12/59/703261259.db2.gz BYDPXURYPJJTOK-SECBINFHSA-N 0 2 315.171 1.522 20 30 DDEDLN CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(F)C(F)(F)F ZINC000846331598 703265652 /nfs/dbraw/zinc/26/56/52/703265652.db2.gz BXUYCNAVWRUGLO-QWRGUYRKSA-N 0 2 304.243 1.950 20 30 DDEDLN CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H](F)C(F)(F)F ZINC000846331598 703265654 /nfs/dbraw/zinc/26/56/54/703265654.db2.gz BXUYCNAVWRUGLO-QWRGUYRKSA-N 0 2 304.243 1.950 20 30 DDEDLN CCCCCCNC(=O)C(C#N)=C([O-])c1c[nH+]c2n1CCC2 ZINC000850753173 703749860 /nfs/dbraw/zinc/74/98/60/703749860.db2.gz ZAXWFMFGYXVZAE-GFCCVEGCSA-N 0 2 302.378 1.848 20 30 DDEDLN O=C(NC[C@H](n1cncn1)C(F)(F)F)[C@H](F)C(F)(F)F ZINC000870324939 703999319 /nfs/dbraw/zinc/99/93/19/703999319.db2.gz CDCVHGYHZYKONK-WHFBIAKZSA-N 0 2 308.157 1.398 20 30 DDEDLN O=C(NC[C@H](n1cncn1)C(F)(F)F)C(F)C(F)(F)F ZINC000870324939 703999315 /nfs/dbraw/zinc/99/93/15/703999315.db2.gz CDCVHGYHZYKONK-WHFBIAKZSA-N 0 2 308.157 1.398 20 30 DDEDLN C#C[C@@H](CO)NC(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000854775550 704450600 /nfs/dbraw/zinc/45/06/00/704450600.db2.gz NJPUVQALYGUMOG-ZDUSSCGKSA-N 0 2 313.357 1.425 20 30 DDEDLN CCc1nn(C)cc1S(=O)(=O)Nc1cccc(C#N)c1C ZINC000882709761 707756717 /nfs/dbraw/zinc/75/67/17/707756717.db2.gz XVSWUOWDQQIOKS-UHFFFAOYSA-N 0 2 304.375 1.963 20 30 DDEDLN Cc1nnc([S-])n(N=Cc2ccc(-n3cc[nH+]c3)cc2)c1=O ZINC000917027141 713478733 /nfs/dbraw/zinc/47/87/33/713478733.db2.gz XPUJKGUXSNEPMK-UHFFFAOYSA-N 0 2 312.358 1.303 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000941291710 717147924 /nfs/dbraw/zinc/14/79/24/717147924.db2.gz UCZRUMBAEWRFII-DTWKUNHWSA-N 0 2 309.263 1.107 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000941291710 717147925 /nfs/dbraw/zinc/14/79/25/717147925.db2.gz UCZRUMBAEWRFII-DTWKUNHWSA-N 0 2 309.263 1.107 20 30 DDEDLN N#Cc1ncccc1OS(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC001211746717 739361221 /nfs/dbraw/zinc/36/12/21/739361221.db2.gz UJRNKJFVJPHOCX-UHFFFAOYSA-N 0 2 318.236 1.463 20 30 DDEDLN C#CCC[NH+]1CC(OC2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001105733996 743768390 /nfs/dbraw/zinc/76/83/90/743768390.db2.gz UYRYKEHFYMBPDS-UHFFFAOYSA-N 0 2 321.465 1.043 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185543562 744252466 /nfs/dbraw/zinc/25/24/66/744252466.db2.gz IMNVFPSDZZMIJB-NSHDSACASA-N 0 2 316.766 1.382 20 30 DDEDLN C=CCn1cnc2c1ncnc2NS(=O)(=O)C1(CC=C)CC1 ZINC001190774074 745326460 /nfs/dbraw/zinc/32/64/60/745326460.db2.gz WBSPDFAQAKEPNC-UHFFFAOYSA-N 0 2 319.390 1.863 20 30 DDEDLN Cc1cc(Cl)ncc1S(=O)(=O)Nc1cn(C)nc1C#N ZINC001192321427 745752922 /nfs/dbraw/zinc/75/29/22/745752922.db2.gz KIBIODURSBWHRR-UHFFFAOYSA-N 0 2 311.754 1.449 20 30 DDEDLN CCOc1cc(NS(=O)(=O)CC#N)cnc1Br ZINC001192939217 745940138 /nfs/dbraw/zinc/94/01/38/745940138.db2.gz LSQVGKRUYFVOSL-UHFFFAOYSA-N 0 2 320.168 1.508 20 30 DDEDLN COC(=O)c1onc(C)c1NC(=O)c1cccc(C#N)c1O ZINC001193642718 746160442 /nfs/dbraw/zinc/16/04/42/746160442.db2.gz OBWLMXRDWXCBJO-UHFFFAOYSA-N 0 2 301.258 1.599 20 30 DDEDLN CCOC(=O)CS(=O)(=O)Nc1cc(Cl)cc(C#N)c1 ZINC001195975223 746744386 /nfs/dbraw/zinc/74/43/86/746744386.db2.gz YPWSBQAECUVPJR-UHFFFAOYSA-N 0 2 302.739 1.516 20 30 DDEDLN N#Cc1cncc(NC/C=C/CNC(=O)C(F)C(F)(F)F)n1 ZINC001107561605 750139240 /nfs/dbraw/zinc/13/92/40/750139240.db2.gz NSIBRDXSDYDUPI-YOLVWIGZSA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1cncc(NC/C=C/CNC(=O)[C@H](F)C(F)(F)F)n1 ZINC001107561605 750139246 /nfs/dbraw/zinc/13/92/46/750139246.db2.gz NSIBRDXSDYDUPI-YOLVWIGZSA-N 0 2 317.246 1.333 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)c3[nH]nc(C)c3[O-])CC[C@@H]21 ZINC001036691437 753411161 /nfs/dbraw/zinc/41/11/61/753411161.db2.gz OYIAOUVNOPOYJN-RYUDHWBXSA-N 0 2 324.812 1.713 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3[nH]nc(C)c3[O-])CC[C@@H]21 ZINC001036691437 753411166 /nfs/dbraw/zinc/41/11/66/753411166.db2.gz OYIAOUVNOPOYJN-RYUDHWBXSA-N 0 2 324.812 1.713 20 30 DDEDLN N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001097258497 757025682 /nfs/dbraw/zinc/02/56/82/757025682.db2.gz PHDDNWZGBWUABY-BKPPORCPSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1nccnc1N[C@H]1C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001097258497 757025690 /nfs/dbraw/zinc/02/56/90/757025690.db2.gz PHDDNWZGBWUABY-BKPPORCPSA-N 0 2 317.246 1.308 20 30 DDEDLN C[C@@H](CNc1ncc(C#N)cc1F)NC(=O)C(F)C(F)(F)F ZINC001108739545 762897586 /nfs/dbraw/zinc/89/75/86/762897586.db2.gz HFMQOJNFMQFZPL-IMTBSYHQSA-N 0 2 322.237 1.909 20 30 DDEDLN C[C@@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H](F)C(F)(F)F ZINC001108739545 762897592 /nfs/dbraw/zinc/89/75/92/762897592.db2.gz HFMQOJNFMQFZPL-IMTBSYHQSA-N 0 2 322.237 1.909 20 30 DDEDLN C=CCCC(=O)N1CCC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001070538006 768560506 /nfs/dbraw/zinc/56/05/06/768560506.db2.gz XDLOPXDTIZWACM-KOLCDFICSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)N1CCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001070538006 768560512 /nfs/dbraw/zinc/56/05/12/768560512.db2.gz XDLOPXDTIZWACM-KOLCDFICSA-N 0 2 310.291 1.960 20 30 DDEDLN CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446068 770844736 /nfs/dbraw/zinc/84/47/36/770844736.db2.gz GRHVNUHMXOLCJB-HUUCEWRRSA-N 0 2 300.406 1.431 20 30 DDEDLN C=CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001274575748 852408368 /nfs/dbraw/zinc/40/83/68/852408368.db2.gz IHQUDZMDBFZOLC-MRXNPFEDSA-N 0 2 302.378 1.245 20 30 DDEDLN N#Cc1ccccc1C[NH+]1CC[C@@H](OCC[P@](=O)([O-])O)C1 ZINC001224603433 881466314 /nfs/dbraw/zinc/46/63/14/881466314.db2.gz YIMWGCKHIYFGKD-CQSZACIVSA-N 0 2 310.290 1.327 20 30 DDEDLN N#Cc1ccccc1C[NH+]1CC[C@@H](OCC[P@@](=O)([O-])O)C1 ZINC001224603433 881466325 /nfs/dbraw/zinc/46/63/25/881466325.db2.gz YIMWGCKHIYFGKD-CQSZACIVSA-N 0 2 310.290 1.327 20 30 DDEDLN N#Cc1ccccc1C[N@H+]1CC[C@@H](OCCP(=O)([O-])O)C1 ZINC001224603433 881466329 /nfs/dbraw/zinc/46/63/29/881466329.db2.gz YIMWGCKHIYFGKD-CQSZACIVSA-N 0 2 310.290 1.327 20 30 DDEDLN N#Cc1ccccc1C[N@@H+]1CC[C@@H](OCCP(=O)([O-])O)C1 ZINC001224603433 881466336 /nfs/dbraw/zinc/46/63/36/881466336.db2.gz YIMWGCKHIYFGKD-CQSZACIVSA-N 0 2 310.290 1.327 20 30 DDEDLN Cn1c(=O)[nH]c(NCCCCOc2ccccc2)c(C#N)c1=O ZINC001336452739 868950809 /nfs/dbraw/zinc/95/08/09/868950809.db2.gz FGJORGKCFNDEQK-UHFFFAOYSA-N 0 2 314.345 1.216 20 30 DDEDLN C=CCN(C)CCN(CC)S(=O)(=O)c1cc(O)cc(F)c1 ZINC001309664136 871587407 /nfs/dbraw/zinc/58/74/07/871587407.db2.gz FAJSQLGICDOVMQ-UHFFFAOYSA-N 0 2 316.398 1.660 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N(C)CCOCC ZINC001355887660 878764930 /nfs/dbraw/zinc/76/49/30/878764930.db2.gz DDEWBOUJFMIUAG-UHFFFAOYSA-N 0 2 320.397 1.526 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2)n(CCF)n1 ZINC001258053795 898038774 /nfs/dbraw/zinc/03/87/74/898038774.db2.gz PNAULJBUBGMJFH-UHFFFAOYSA-N 0 2 308.338 1.834 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1cc(Cl)ncc1CO ZINC001258208455 898107906 /nfs/dbraw/zinc/10/79/06/898107906.db2.gz QHBCERZXCJUEOP-UHFFFAOYSA-N 0 2 323.761 1.900 20 30 DDEDLN COc1ncc(NS(=O)(=O)c2ccccc2C#N)c(C)n1 ZINC001258208490 898108370 /nfs/dbraw/zinc/10/83/70/898108370.db2.gz RVBTUOXQQSROTM-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN C=CCS(=O)(=O)Nc1nc(SC)sc1C(=O)OC ZINC001259922225 898934040 /nfs/dbraw/zinc/93/40/40/898934040.db2.gz SSLQQAFTHSRLHZ-UHFFFAOYSA-N 0 2 308.406 1.579 20 30 DDEDLN COCCS(=O)(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC001259971307 898995428 /nfs/dbraw/zinc/99/54/28/898995428.db2.gz LLHKLHYYUHDZFP-UHFFFAOYSA-N 0 2 308.281 1.965 20 30 DDEDLN CC(C)C#CC(=O)N1CC[C@H](N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001283377664 907251611 /nfs/dbraw/zinc/25/16/11/907251611.db2.gz NCHPNZQWEXICAV-CMPLNLGQSA-N 0 2 322.302 1.606 20 30 DDEDLN CC(C)C#CC(=O)N1CC[C@H](N(C)C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001283377664 907251634 /nfs/dbraw/zinc/25/16/34/907251634.db2.gz NCHPNZQWEXICAV-CMPLNLGQSA-N 0 2 322.302 1.606 20 30 DDEDLN C=C(Cl)C[N@H+](CC)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001372452949 907343728 /nfs/dbraw/zinc/34/37/28/907343728.db2.gz QTLUUNASQQIWJX-UHFFFAOYSA-N 0 2 324.768 1.733 20 30 DDEDLN C=C(Cl)C[N@@H+](CC)CCNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001372452949 907343748 /nfs/dbraw/zinc/34/37/48/907343748.db2.gz QTLUUNASQQIWJX-UHFFFAOYSA-N 0 2 324.768 1.733 20 30 DDEDLN CC(C)C#CC(=O)N(C)CCCNC(=O)C(F)C(F)(F)F ZINC001283563820 907601897 /nfs/dbraw/zinc/60/18/97/907601897.db2.gz UMKSOKXHHZBTCL-NSHDSACASA-N 0 2 310.291 1.511 20 30 DDEDLN CC(C)C#CC(=O)N(C)CCCNC(=O)[C@H](F)C(F)(F)F ZINC001283563820 907601916 /nfs/dbraw/zinc/60/19/16/907601916.db2.gz UMKSOKXHHZBTCL-NSHDSACASA-N 0 2 310.291 1.511 20 30 DDEDLN CC#CCCCC(=O)N(C)CCN(C)C(=O)C(F)C(F)(F)F ZINC001285380473 910444744 /nfs/dbraw/zinc/44/47/44/910444744.db2.gz WJVKNLNYTLPKLH-GFCCVEGCSA-N 0 2 324.318 1.997 20 30 DDEDLN CC#CCCCC(=O)N(C)CCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001285380473 910444757 /nfs/dbraw/zinc/44/47/57/910444757.db2.gz WJVKNLNYTLPKLH-GFCCVEGCSA-N 0 2 324.318 1.997 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1ccccc1N1CCOC1=O ZINC000491921077 529589453 /nfs/dbraw/zinc/58/94/53/529589453.db2.gz ZKEUNEUOHKNRDQ-SNVBAGLBSA-N 0 2 309.347 1.687 20 30 DDEDLN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1=NC(=O)CN1 ZINC000050222838 352565139 /nfs/dbraw/zinc/56/51/39/352565139.db2.gz UBWRSBZKSBBBHT-UHFFFAOYSA-N 0 2 315.308 1.419 20 30 DDEDLN CSc1ccncc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000589585618 355002838 /nfs/dbraw/zinc/00/28/38/355002838.db2.gz HHDPCLWYKYCYEO-UHFFFAOYSA-N 0 2 306.372 1.871 20 30 DDEDLN N#Cc1ccc(N2CCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)nc1 ZINC000592427130 355579582 /nfs/dbraw/zinc/57/95/82/355579582.db2.gz JYGFIBBSJKBZRJ-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN Cc1cc(C(=O)N[C@@H](C#N)CC(C)C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000610114720 360383235 /nfs/dbraw/zinc/38/32/35/360383235.db2.gz YFPSWILGYQZYRU-SECBINFHSA-N 0 2 315.333 1.413 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C[C@@H]2CCOC2)cc1C#N ZINC000610748661 360525099 /nfs/dbraw/zinc/52/50/99/360525099.db2.gz YPVAXCRLRWYUBR-UWVGGRQHSA-N 0 2 321.402 1.926 20 30 DDEDLN C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1 ZINC000057116986 184027510 /nfs/dbraw/zinc/02/75/10/184027510.db2.gz BGLWGPBIYIPPJZ-UHFFFAOYSA-N 0 2 321.362 1.518 20 30 DDEDLN CC(C)[C@H]1C[C@@H](CC(=O)Nc2nc(C#N)c(C#N)[nH]2)CCO1 ZINC000272916938 210303957 /nfs/dbraw/zinc/30/39/57/210303957.db2.gz SLDXQOZUGLIYBM-GXFFZTMASA-N 0 2 301.350 1.933 20 30 DDEDLN CCc1nc(NS(=O)(=O)c2ccc(C#N)cc2OC)no1 ZINC000185692420 407479000 /nfs/dbraw/zinc/47/90/00/407479000.db2.gz MXDFUGSXEJEBFC-UHFFFAOYSA-N 0 2 308.319 1.313 20 30 DDEDLN CN(C)c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)nc1 ZINC000116602495 407762972 /nfs/dbraw/zinc/76/29/72/407762972.db2.gz OAHBBNZKJVUKDV-UHFFFAOYSA-N 0 2 303.347 1.215 20 30 DDEDLN C#CCOc1cccc(NS(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC000133352306 407832491 /nfs/dbraw/zinc/83/24/91/407832491.db2.gz ICSFSNXDFYSYOP-UHFFFAOYSA-N 0 2 319.386 1.850 20 30 DDEDLN N#CCCn1ccc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000117740745 407852669 /nfs/dbraw/zinc/85/26/69/407852669.db2.gz MVWGWYVIHKOMRB-UHFFFAOYSA-N 0 2 301.331 1.469 20 30 DDEDLN Cc1cc(O)c(C(=O)C=Cc2cnn(CC(C)C)c2)c(=O)o1 ZINC000180694571 407912291 /nfs/dbraw/zinc/91/22/91/407912291.db2.gz ATLCQXKHIPTTCA-RGDDUWESSA-N 0 2 302.330 1.767 20 30 DDEDLN CNC(=O)C[C@H]1S/C(=N\c2cccc3c2CCCC3)NC1=O ZINC000175063779 408043848 /nfs/dbraw/zinc/04/38/48/408043848.db2.gz UVRLSCWFXIAEDB-CYBMUJFWSA-N 0 2 317.414 1.921 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)c1c(C)nn(C)c1C ZINC000317626403 409869338 /nfs/dbraw/zinc/86/93/38/409869338.db2.gz NUPGDDNFHWODGF-UHFFFAOYSA-N 0 2 320.374 1.718 20 30 DDEDLN Cc1nc2ccc(NS(=O)(=O)c3cncc(C#N)c3)cn2n1 ZINC000357370932 410001297 /nfs/dbraw/zinc/00/12/97/410001297.db2.gz MWVLUXSBYFUMKS-UHFFFAOYSA-N 0 2 314.330 1.105 20 30 DDEDLN COc1nn(C)cc1NS(=O)(=O)c1cccc(C)c1C#N ZINC000352299175 410607614 /nfs/dbraw/zinc/60/76/14/410607614.db2.gz JSJKGIBCSJMQOP-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)C1=Cc2ccccc2OC1 ZINC000359716042 410831290 /nfs/dbraw/zinc/83/12/90/410831290.db2.gz LGPAHYNLFUQKTH-UHFFFAOYSA-N 0 2 306.325 2.573 20 30 DDEDLN CN1CCC[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1=O ZINC000330862349 410903142 /nfs/dbraw/zinc/90/31/42/410903142.db2.gz QJIXFLXBZLBXHM-QMMMGPOBSA-N 0 2 302.252 1.735 20 30 DDEDLN C=CCOc1cccc(NS(=O)(=O)c2ccnn2COC)c1 ZINC000360134733 411066064 /nfs/dbraw/zinc/06/60/64/411066064.db2.gz XRFRPKQPGHEWGK-UHFFFAOYSA-N 0 2 323.374 1.853 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCOCC3(CC3)C2)cc1C#N ZINC000360892117 418541978 /nfs/dbraw/zinc/54/19/78/418541978.db2.gz YEXZCKFVMNTSQC-UHFFFAOYSA-N 0 2 319.386 1.633 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1ncc2c(c1C#N)COCC2 ZINC000421238100 419534220 /nfs/dbraw/zinc/53/42/20/419534220.db2.gz XGPLIYQGBCOHEE-UHFFFAOYSA-N 0 2 307.375 1.734 20 30 DDEDLN C=CC[C@H](CO)NC(=O)c1cc(F)cc(Br)c1O ZINC000436484054 420333592 /nfs/dbraw/zinc/33/35/92/420333592.db2.gz DCRZSKSMMUDHKI-MRVPVSSYSA-N 0 2 318.142 1.961 20 30 DDEDLN CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000439506839 420519269 /nfs/dbraw/zinc/51/92/69/420519269.db2.gz SDEIAMZHWAJAKM-PSLIRLAXSA-N 0 2 323.418 1.908 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000564879971 421593872 /nfs/dbraw/zinc/59/38/72/421593872.db2.gz YURUPTGCJHGYSS-FZMZJTMJSA-N 0 2 313.357 1.965 20 30 DDEDLN C=CCCn1cc(C[N@@H+]2CCc3occc3[C@@H]2C(=O)[O-])nn1 ZINC000629366329 422633737 /nfs/dbraw/zinc/63/37/37/422633737.db2.gz ROBDGOFOESGBJM-CQSZACIVSA-N 0 2 302.334 1.631 20 30 DDEDLN C=CCCn1cc(C[N@H+]2CCc3occc3[C@@H]2C(=O)[O-])nn1 ZINC000629366329 422633741 /nfs/dbraw/zinc/63/37/41/422633741.db2.gz ROBDGOFOESGBJM-CQSZACIVSA-N 0 2 302.334 1.631 20 30 DDEDLN C=CCN1CC[C@H]([N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])C1=O ZINC000662233443 424494000 /nfs/dbraw/zinc/49/40/00/424494000.db2.gz DQONTYFVHVGWFN-GJZGRUSLSA-N 0 2 300.358 1.457 20 30 DDEDLN C=CCN1CC[C@H]([N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])C1=O ZINC000662233443 424494011 /nfs/dbraw/zinc/49/40/11/424494011.db2.gz DQONTYFVHVGWFN-GJZGRUSLSA-N 0 2 300.358 1.457 20 30 DDEDLN C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370711594 267053390 /nfs/dbraw/zinc/05/33/90/267053390.db2.gz XPLHHHDZMADZDH-RHSMWYFYSA-N 0 2 302.422 1.609 20 30 DDEDLN N#Cc1ccc2ncc(C[NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2c1 ZINC000369480619 268225040 /nfs/dbraw/zinc/22/50/40/268225040.db2.gz QBYYAFJSFFGRGH-GDBMZVCRSA-N 0 2 311.389 1.159 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1 ZINC000579543318 308538468 /nfs/dbraw/zinc/53/84/68/308538468.db2.gz WBMCNKWKKXBSFY-CYBMUJFWSA-N 0 2 318.358 1.934 20 30 DDEDLN CC(C)C(=O)Nc1cc(C(=O)[C@H](C#N)c2ccncn2)ccn1 ZINC000345994857 335368265 /nfs/dbraw/zinc/36/82/65/335368265.db2.gz PHOGRPDCWJSYCM-GFCCVEGCSA-N 0 2 309.329 1.956 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736078988 600250231 /nfs/dbraw/zinc/25/02/31/600250231.db2.gz FCORHQMZPAKFCP-ZDUSSCGKSA-N 0 2 305.309 1.952 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(F)c(NC(=O)[O-])c1 ZINC000736078988 600250232 /nfs/dbraw/zinc/25/02/32/600250232.db2.gz FCORHQMZPAKFCP-ZDUSSCGKSA-N 0 2 305.309 1.952 20 30 DDEDLN C=CCN(CC=C)C(=O)CO[NH+]=C(N)c1cccc(C(=O)[O-])c1 ZINC000825682296 600804790 /nfs/dbraw/zinc/80/47/90/600804790.db2.gz WPFSYZFXHMJKEI-UHFFFAOYSA-N 0 2 317.345 1.432 20 30 DDEDLN CN(C(=O)[O-])C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000737940355 602536081 /nfs/dbraw/zinc/53/60/81/602536081.db2.gz VEUNORJALJJMAK-UHFFFAOYSA-N 0 2 316.361 1.571 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000833968146 605683660 /nfs/dbraw/zinc/68/36/60/605683660.db2.gz UNERLYVIILFQEN-HIFRSBDPSA-N 0 2 311.345 1.464 20 30 DDEDLN C#CC[N@@H+]1C[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C(C)(C)C1 ZINC000977462990 696174321 /nfs/dbraw/zinc/17/43/21/696174321.db2.gz DUIMVMQKTKJHJE-LBPRGKRZSA-N 0 2 314.345 1.002 20 30 DDEDLN C#CC[N@H+]1C[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C(C)(C)C1 ZINC000977462990 696174323 /nfs/dbraw/zinc/17/43/23/696174323.db2.gz DUIMVMQKTKJHJE-LBPRGKRZSA-N 0 2 314.345 1.002 20 30 DDEDLN CC(=NNCCCN1CCOCC1)c1cc(F)cc(F)c1O ZINC000799488789 700145677 /nfs/dbraw/zinc/14/56/77/700145677.db2.gz LHMCKQRTYRLYCC-UHFFFAOYSA-N 0 2 313.348 1.706 20 30 DDEDLN N#Cc1c(F)cccc1C(=O)OCCCNC(=O)C(F)(F)F ZINC000778374877 698269813 /nfs/dbraw/zinc/26/98/13/698269813.db2.gz VUWXEABCPKOVIS-UHFFFAOYSA-N 0 2 318.226 1.923 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2cccc3ncccc32)cn1 ZINC000726520294 699365450 /nfs/dbraw/zinc/36/54/50/699365450.db2.gz BIXBJUIOOOPQTK-UHFFFAOYSA-N 0 2 313.342 1.756 20 30 DDEDLN COc1ncc(C(=O)C(C#N)c2cnc3ccccc3n2)cn1 ZINC000792111135 699676070 /nfs/dbraw/zinc/67/60/70/699676070.db2.gz RJGFEMHQSFFZIK-NSHDSACASA-N 0 2 305.297 1.918 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1N[NH+]=Cc1c(N)ncnc1OC ZINC000756899358 700648161 /nfs/dbraw/zinc/64/81/61/700648161.db2.gz XTWXODBMWNEFRS-UHFFFAOYSA-N 0 2 317.305 1.220 20 30 DDEDLN O=C1NC(=O)C(=NNc2ccnc3cc(Cl)ccc32)C(=O)N1 ZINC000814212681 702497032 /nfs/dbraw/zinc/49/70/32/702497032.db2.gz IGTOOJMNQLTSRI-UHFFFAOYSA-N 0 2 317.692 1.022 20 30 DDEDLN CO[C@](C)(C(=O)OC(C)(C)C)C(=O)C(C#N)c1ccncn1 ZINC000850947594 703767400 /nfs/dbraw/zinc/76/74/00/703767400.db2.gz IOFLAWWTTXGUSV-BONVTDFDSA-N 0 2 305.334 1.400 20 30 DDEDLN CO[C@](C)(C(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1ccncn1 ZINC000850947594 703767402 /nfs/dbraw/zinc/76/74/02/703767402.db2.gz IOFLAWWTTXGUSV-BONVTDFDSA-N 0 2 305.334 1.400 20 30 DDEDLN N#Cc1cccc(ONC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000870693697 704105553 /nfs/dbraw/zinc/10/55/53/704105553.db2.gz QTDFODITMQHFQD-CYBMUJFWSA-N 0 2 313.357 1.759 20 30 DDEDLN O=C(NCC[S@@](=O)CC(F)(F)F)C(F)(F)C(F)F ZINC000855273040 704476765 /nfs/dbraw/zinc/47/67/65/704476765.db2.gz VDMSAJWTFQCKNS-GOSISDBHSA-N 0 2 303.199 1.314 20 30 DDEDLN C=C(C)C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)[O-] ZINC000909081846 712933855 /nfs/dbraw/zinc/93/38/55/712933855.db2.gz HXQSVYLUZZABHD-OLZOCXBDSA-N 0 2 318.377 1.379 20 30 DDEDLN Cn1nc(CNC(=O)C(F)C(F)(F)F)cc1C(F)(F)F ZINC000890013502 709706648 /nfs/dbraw/zinc/70/66/48/709706648.db2.gz SHYWFMIPEZTMLP-ZCFIWIBFSA-N 0 2 307.169 1.956 20 30 DDEDLN Cn1nc(CNC(=O)[C@@H](F)C(F)(F)F)cc1C(F)(F)F ZINC000890013502 709706655 /nfs/dbraw/zinc/70/66/55/709706655.db2.gz SHYWFMIPEZTMLP-ZCFIWIBFSA-N 0 2 307.169 1.956 20 30 DDEDLN C=C(C)C[C@H](NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1)C(=O)[O-] ZINC000910292757 709871392 /nfs/dbraw/zinc/87/13/92/709871392.db2.gz IFQBBNYODPICNV-HZSPNIEDSA-N 0 2 312.410 1.411 20 30 DDEDLN C=C(C)C[C@H](NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1)C(=O)[O-] ZINC000910292757 709871395 /nfs/dbraw/zinc/87/13/95/709871395.db2.gz IFQBBNYODPICNV-HZSPNIEDSA-N 0 2 312.410 1.411 20 30 DDEDLN C=C(Cl)C[C@@H]([NH3+])C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000901007837 709876228 /nfs/dbraw/zinc/87/62/28/709876228.db2.gz OQOOAXFLYHATFY-LLVKDONJSA-N 0 2 302.783 1.103 20 30 DDEDLN C=CCCC[C@H](NC(=O)[C@H](C)[NH+]1CCSCC1)C(=O)[O-] ZINC000910917061 710118824 /nfs/dbraw/zinc/11/88/24/710118824.db2.gz LJYYUJYNOHGCIX-RYUDHWBXSA-N 0 2 300.424 1.349 20 30 DDEDLN O=C1[C@@H](NCc2c(O)cccc2Br)CCCN1O ZINC000895156456 711435508 /nfs/dbraw/zinc/43/55/08/711435508.db2.gz CHXONBFWSAIXOI-JTQLQIEISA-N 0 2 315.167 1.625 20 30 DDEDLN Cc1[nH][nH]c(=O)c1Sc1nc(C(F)(F)F)ccc1C#N ZINC000917512226 713501571 /nfs/dbraw/zinc/50/15/71/713501571.db2.gz BXQONDROFMDIAA-MRVPVSSYSA-N 0 2 300.265 1.938 20 30 DDEDLN O=C(C#CC1CC1)N1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000940999461 717068082 /nfs/dbraw/zinc/06/80/82/717068082.db2.gz NIZMSNYKUSJGHI-LBPRGKRZSA-N 0 2 320.286 1.361 20 30 DDEDLN O=C(C#CC1CC1)N1CCCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000940999461 717068085 /nfs/dbraw/zinc/06/80/85/717068085.db2.gz NIZMSNYKUSJGHI-LBPRGKRZSA-N 0 2 320.286 1.361 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH+]cn1C ZINC001087312211 736042147 /nfs/dbraw/zinc/04/21/47/736042147.db2.gz AWIGGGWZSYOTFU-HYVNUMGLSA-N 0 2 314.433 1.201 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227858 736378004 /nfs/dbraw/zinc/37/80/04/736378004.db2.gz SWQYAPODEBYGBE-JKSUJKDBSA-N 0 2 314.433 1.821 20 30 DDEDLN C[C@@H](CNc1nccnc1C#N)N(C)C(=O)C(F)C(F)(F)F ZINC001104848177 737278442 /nfs/dbraw/zinc/27/84/42/737278442.db2.gz XBRWGBVREOTAKH-IONNQARKSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001104848177 737278446 /nfs/dbraw/zinc/27/84/46/737278446.db2.gz XBRWGBVREOTAKH-IONNQARKSA-N 0 2 319.262 1.507 20 30 DDEDLN C#Cc1ccc(NS(=O)(=O)c2cccc3nccnc32)cn1 ZINC001194948156 746494424 /nfs/dbraw/zinc/49/44/24/746494424.db2.gz GWFDUNXPIHXYJC-UHFFFAOYSA-N 0 2 310.338 1.807 20 30 DDEDLN N#Cc1ccc(-c2ccc(C(=O)NCc3n[nH]c(=O)[nH]3)o2)cc1 ZINC001197402114 747147611 /nfs/dbraw/zinc/14/76/11/747147611.db2.gz WTPDEDBLWMJNRU-UHFFFAOYSA-N 0 2 309.285 1.572 20 30 DDEDLN COc1ccc(NS(=O)(=O)Cc2cccnc2)c(C#N)c1 ZINC001197457479 747179587 /nfs/dbraw/zinc/17/95/87/747179587.db2.gz HXDRHNLFUUNZGJ-UHFFFAOYSA-N 0 2 303.343 1.904 20 30 DDEDLN Cc1n[nH]c(C(=O)NCC2C[NH+](CC#Cc3ccccc3)C2)c1[O-] ZINC001031618044 747203782 /nfs/dbraw/zinc/20/37/82/747203782.db2.gz XXCQWQNBXUJDNR-UHFFFAOYSA-N 0 2 324.384 1.137 20 30 DDEDLN C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001033865388 749991624 /nfs/dbraw/zinc/99/16/24/749991624.db2.gz RNBBHRZHDKYWLX-RBSFLKMASA-N 0 2 300.406 1.459 20 30 DDEDLN C[C@H](CNc1cncc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001108171040 753356155 /nfs/dbraw/zinc/35/61/55/753356155.db2.gz XNQXCKXHFQQBAU-MUWHJKNJSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@H](F)C(F)(F)F ZINC001108171040 753356160 /nfs/dbraw/zinc/35/61/60/753356160.db2.gz XNQXCKXHFQQBAU-MUWHJKNJSA-N 0 2 305.235 1.165 20 30 DDEDLN C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC001084975733 758114743 /nfs/dbraw/zinc/11/47/43/758114743.db2.gz QMRGRHYMESAPQH-PMPSAXMXSA-N 0 2 312.417 1.002 20 30 DDEDLN C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CCC)CO2 ZINC001053822094 758850237 /nfs/dbraw/zinc/85/02/37/758850237.db2.gz GAXCKQFWVPPCQC-HZPDHXFCSA-N 0 2 321.465 1.396 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1 ZINC001109632939 763897042 /nfs/dbraw/zinc/89/70/42/763897042.db2.gz IXDSEUSOEQECLR-NDBYEHHHSA-N 0 2 319.409 1.334 20 30 DDEDLN CN(CCCNc1ccncc1C#N)C(=O)C(F)C(F)(F)F ZINC001109645862 763907606 /nfs/dbraw/zinc/90/76/06/763907606.db2.gz WYWYXILTJXRWGN-NSHDSACASA-N 0 2 318.274 1.536 20 30 DDEDLN CN(CCCNc1ccncc1C#N)C(=O)[C@H](F)C(F)(F)F ZINC001109645862 763907613 /nfs/dbraw/zinc/90/76/13/763907613.db2.gz WYWYXILTJXRWGN-NSHDSACASA-N 0 2 318.274 1.536 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001098327590 764303757 /nfs/dbraw/zinc/30/37/57/764303757.db2.gz LWRKEXLQDAYAGK-RCOVLWMOSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001098327590 764303762 /nfs/dbraw/zinc/30/37/62/764303762.db2.gz LWRKEXLQDAYAGK-RCOVLWMOSA-N 0 2 305.235 1.165 20 30 DDEDLN C=CCN1CC(OC2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001093537084 774773535 /nfs/dbraw/zinc/77/35/35/774773535.db2.gz CVPIKQFIMZZUPL-LBPRGKRZSA-N 0 2 324.318 1.765 20 30 DDEDLN N#CC1=C(Nc2cnc(N3CCOCC3)nc2)SCC1=O ZINC001174449156 777489928 /nfs/dbraw/zinc/48/99/28/777489928.db2.gz ZVOHDSSZBFMPFU-UHFFFAOYSA-N 0 2 303.347 1.696 20 30 DDEDLN N#CCSc1ccccc1C(=O)NCCc1n[nH]c(=S)o1 ZINC001154900976 861550846 /nfs/dbraw/zinc/55/08/46/861550846.db2.gz NLIYBBWSPRRPPR-UHFFFAOYSA-N 0 2 320.399 1.946 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cccc2c1CN(C)C2=O ZINC001412228676 854348457 /nfs/dbraw/zinc/34/84/57/854348457.db2.gz ZCQPBBOEMVNETC-UHFFFAOYSA-N 0 2 322.324 1.805 20 30 DDEDLN C=CC[C@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C(=O)[O-] ZINC001333333179 866643074 /nfs/dbraw/zinc/64/30/74/866643074.db2.gz ZLXCFIVESJFBPY-HNNXBMFYSA-N 0 2 318.373 1.278 20 30 DDEDLN C#CC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)C(=O)[O-] ZINC001333348017 866656884 /nfs/dbraw/zinc/65/68/84/866656884.db2.gz WGEOKGFQNNKCBS-HUUCEWRRSA-N 0 2 315.373 1.029 20 30 DDEDLN C#CC[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)C(=O)[O-] ZINC001333348017 866656889 /nfs/dbraw/zinc/65/68/89/866656889.db2.gz WGEOKGFQNNKCBS-HUUCEWRRSA-N 0 2 315.373 1.029 20 30 DDEDLN C#CCCCC(=O)N[C@H](CC)CNC(=O)C(F)C(F)(F)F ZINC001297422714 870032476 /nfs/dbraw/zinc/03/24/76/870032476.db2.gz WCXLUCLWMNQNAS-MWLCHTKSSA-N 0 2 310.291 1.701 20 30 DDEDLN C#CCCCC(=O)N[C@H](CC)CNC(=O)[C@@H](F)C(F)(F)F ZINC001297422714 870032493 /nfs/dbraw/zinc/03/24/93/870032493.db2.gz WCXLUCLWMNQNAS-MWLCHTKSSA-N 0 2 310.291 1.701 20 30 DDEDLN C#CCC1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC001303025331 871098152 /nfs/dbraw/zinc/09/81/52/871098152.db2.gz BLVLBBYWSMHVIW-UHFFFAOYSA-N 0 2 304.302 1.291 20 30 DDEDLN C#CCCCC(=O)N1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC001350856456 875928860 /nfs/dbraw/zinc/92/88/60/875928860.db2.gz NYFVCNLTUHPQIF-GFCCVEGCSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)N1CCC(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001350856456 875928869 /nfs/dbraw/zinc/92/88/69/875928869.db2.gz NYFVCNLTUHPQIF-GFCCVEGCSA-N 0 2 322.302 1.798 20 30 DDEDLN C#C[C@@H](O/C(=N\O)c1cc(OC)ccc1OC)C(=O)OCC ZINC001223891712 881134951 /nfs/dbraw/zinc/13/49/51/881134951.db2.gz QUUQEIPYPCQLFO-HRZQKCLFSA-N 0 2 307.302 1.421 20 30 DDEDLN C#C[C@H](O/C(=N\O)c1cc(OC)ccc1OC)C(=O)OCC ZINC001223891713 881136307 /nfs/dbraw/zinc/13/63/07/881136307.db2.gz QUUQEIPYPCQLFO-XQTVBXIXSA-N 0 2 307.302 1.421 20 30 DDEDLN Cc1nn(C)c2c1N(C(=O)c1[nH]c(=O)c(C#N)cc1C)CCO2 ZINC001362270541 883450483 /nfs/dbraw/zinc/45/04/83/883450483.db2.gz OBCXMGUNXXTXSV-UHFFFAOYSA-N 0 2 313.317 1.048 20 30 DDEDLN N#C[C@]1(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)CCCOC1 ZINC001362426221 883780783 /nfs/dbraw/zinc/78/07/83/883780783.db2.gz KZIMCFWUKQWHHV-OAHLLOKOSA-N 0 2 313.317 1.436 20 30 DDEDLN CCN(C(=O)C(F)C(F)(F)F)[C@H](C)CNC(=O)C#CC1CC1 ZINC001288617360 913005301 /nfs/dbraw/zinc/00/53/01/913005301.db2.gz DJKPSTHEFLULQZ-BXKDBHETSA-N 0 2 322.302 1.653 20 30 DDEDLN CCN(C(=O)[C@@H](F)C(F)(F)F)[C@H](C)CNC(=O)C#CC1CC1 ZINC001288617360 913005316 /nfs/dbraw/zinc/00/53/16/913005316.db2.gz DJKPSTHEFLULQZ-BXKDBHETSA-N 0 2 322.302 1.653 20 30 DDEDLN C[C@@H](C(=O)NC1CN(C(=O)C(F)C(F)(F)F)C1)C(F)(F)F ZINC001387787840 893860253 /nfs/dbraw/zinc/86/02/53/893860253.db2.gz AVIYZCFWKMZQRM-NJGYIYPDSA-N 0 2 324.196 1.412 20 30 DDEDLN C[C@@H](C(=O)NC1CN(C(=O)[C@H](F)C(F)(F)F)C1)C(F)(F)F ZINC001387787840 893860263 /nfs/dbraw/zinc/86/02/63/893860263.db2.gz AVIYZCFWKMZQRM-NJGYIYPDSA-N 0 2 324.196 1.412 20 30 DDEDLN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)C(F)C(F)(F)F ZINC001389379054 897075222 /nfs/dbraw/zinc/07/52/22/897075222.db2.gz DOUYPAJXDAJOCO-RCOVLWMOSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@H](F)C(F)(F)F ZINC001389379054 897075231 /nfs/dbraw/zinc/07/52/31/897075231.db2.gz DOUYPAJXDAJOCO-RCOVLWMOSA-N 0 2 320.246 1.021 20 30 DDEDLN COc1ncc(NS(=O)(=O)c2ccccc2C#N)cc1F ZINC001258201965 898102900 /nfs/dbraw/zinc/10/29/00/898102900.db2.gz SDPWXUSYTZXRHZ-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)CCC1=O ZINC001259039327 898435686 /nfs/dbraw/zinc/43/56/86/898435686.db2.gz VSNLOAYQRDNURN-SSDOTTSWSA-N 0 2 318.276 1.207 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)CCC1=O ZINC001259509795 898706829 /nfs/dbraw/zinc/70/68/29/898706829.db2.gz LUZAHCMSYOZNGG-QMMMGPOBSA-N 0 2 316.741 1.582 20 30 DDEDLN N#Cc1ccc(CS(=O)(=O)Nc2nccn3ccnc23)cc1 ZINC001260038639 899021915 /nfs/dbraw/zinc/02/19/15/899021915.db2.gz PZBWMMIUOPCXAQ-UHFFFAOYSA-N 0 2 313.342 1.543 20 30 DDEDLN CC(C)C#CC(=O)N1CC[C@H](N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001283377665 907253299 /nfs/dbraw/zinc/25/32/99/907253299.db2.gz NCHPNZQWEXICAV-JQWIXIFHSA-N 0 2 322.302 1.606 20 30 DDEDLN CC(C)C#CC(=O)N1CC[C@H](N(C)C(=O)[C@H](F)C(F)(F)F)C1 ZINC001283377665 907253314 /nfs/dbraw/zinc/25/33/14/907253314.db2.gz NCHPNZQWEXICAV-JQWIXIFHSA-N 0 2 322.302 1.606 20 30 DDEDLN C[C@]1(NC(=O)C(F)C(F)(F)F)CCN(C(=O)C#CC2CC2)C1 ZINC001286092720 911684474 /nfs/dbraw/zinc/68/44/74/911684474.db2.gz FIASQXWOGUYNLH-YPMHNXCESA-N 0 2 320.286 1.407 20 30 DDEDLN C[C@]1(NC(=O)[C@@H](F)C(F)(F)F)CCN(C(=O)C#CC2CC2)C1 ZINC001286092720 911684488 /nfs/dbraw/zinc/68/44/88/911684488.db2.gz FIASQXWOGUYNLH-YPMHNXCESA-N 0 2 320.286 1.407 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)CCOCC2)o1 ZINC000330843946 232108669 /nfs/dbraw/zinc/10/86/69/232108669.db2.gz ZBZSOHJKZWPBSP-UHFFFAOYSA-N 0 2 324.280 1.541 20 30 DDEDLN C=C(C)C[C@@H](Nc1nc(C2CCOCC2)ns1)C(=O)OC ZINC000601227462 358455985 /nfs/dbraw/zinc/45/59/85/358455985.db2.gz OUDNMXCWJRZGFN-LLVKDONJSA-N 0 2 311.407 1.774 20 30 DDEDLN CCc1c(C(=O)NC2=NC(=O)CN2)cnn1-c1ccc(C)cc1 ZINC000050223039 352565525 /nfs/dbraw/zinc/56/55/25/352565525.db2.gz RHFZQVPMEONJRH-UHFFFAOYSA-N 0 2 311.345 1.534 20 30 DDEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)c1cnn(CC)c1 ZINC000066583298 353006136 /nfs/dbraw/zinc/00/61/36/353006136.db2.gz DYKSKDVWLIIROP-UHFFFAOYSA-N 0 2 320.374 1.974 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[nH]2)cc1O ZINC000331975752 234340243 /nfs/dbraw/zinc/34/02/43/234340243.db2.gz XHIPDLCIKJQIJH-NSHDSACASA-N 0 2 313.317 1.455 20 30 DDEDLN COc1cccc2c1OC[C@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)C2 ZINC000076426902 353421299 /nfs/dbraw/zinc/42/12/99/353421299.db2.gz JXJYMLLPRAOPBL-SNVBAGLBSA-N 0 2 323.312 1.351 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)c(F)c1 ZINC000158005183 354228863 /nfs/dbraw/zinc/22/88/63/354228863.db2.gz DLZNQARGXKJOJJ-UHFFFAOYSA-N 0 2 319.317 1.597 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)c1 ZINC000591831457 355392905 /nfs/dbraw/zinc/39/29/05/355392905.db2.gz WYOCGXVLSQNXSZ-UHFFFAOYSA-N 0 2 314.301 1.372 20 30 DDEDLN N#Cc1cccc(N2CCCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)n1 ZINC000600674772 358279082 /nfs/dbraw/zinc/27/90/82/358279082.db2.gz HWOOYOXGWOEFNM-UHFFFAOYSA-N 0 2 323.356 1.763 20 30 DDEDLN CCc1cc(CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)on1 ZINC000610162926 360388219 /nfs/dbraw/zinc/38/82/19/360388219.db2.gz WJPGMASJSXTPKQ-UHFFFAOYSA-N 0 2 318.358 1.861 20 30 DDEDLN O=C(NCC#Cc1ccccc1)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000346497832 223358180 /nfs/dbraw/zinc/35/81/80/223358180.db2.gz DMPZAKVFMOKSFS-UHFFFAOYSA-N 0 2 319.320 1.811 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc3c([nH]c2=O)CCCCC3)[nH]c1C#N ZINC000130396765 407682895 /nfs/dbraw/zinc/68/28/95/407682895.db2.gz ATLQWGCKLLOMSZ-UHFFFAOYSA-N 0 2 322.328 1.363 20 30 DDEDLN COCc1csc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000115928080 407713065 /nfs/dbraw/zinc/71/30/65/407713065.db2.gz JKAJOEJOHXGLNW-UHFFFAOYSA-N 0 2 309.372 1.962 20 30 DDEDLN C#Cc1cccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 ZINC000131787713 407754376 /nfs/dbraw/zinc/75/43/76/407754376.db2.gz HQLARDBKJPPPPD-AWEZNQCLSA-N 0 2 317.370 1.627 20 30 DDEDLN CNC(=O)C[C@@H]1S/C(=N\c2cccc3c2CCCC3)NC1=O ZINC000175063795 408043129 /nfs/dbraw/zinc/04/31/29/408043129.db2.gz UVRLSCWFXIAEDB-ZDUSSCGKSA-N 0 2 317.414 1.921 20 30 DDEDLN CNC(=O)C[C@H]1S/C(=N/c2ccc(Cl)cc2F)NC1=O ZINC000278208502 409076994 /nfs/dbraw/zinc/07/69/94/409076994.db2.gz IAPWQFZSXSXWHV-SECBINFHSA-N 0 2 315.757 1.834 20 30 DDEDLN C#C[C@@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C(C)(C)C ZINC000288045722 409136296 /nfs/dbraw/zinc/13/62/96/409136296.db2.gz CYDYFUNBGUMKQD-SNVBAGLBSA-N 0 2 300.318 1.214 20 30 DDEDLN C#CCO[C@@H](C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000294958651 409307728 /nfs/dbraw/zinc/30/77/28/409307728.db2.gz JTKAMJMYBYGGGN-LBPRGKRZSA-N 0 2 314.345 1.038 20 30 DDEDLN C[C@@H]1CC[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C[C@H]1C ZINC000408493580 164349237 /nfs/dbraw/zinc/34/92/37/164349237.db2.gz MCCUIEMGNATCGQ-NQBHXWOUSA-N 0 2 321.402 1.830 20 30 DDEDLN CC(C)Cc1ncc(NS(=O)(=O)c2cncc(C#N)c2)cn1 ZINC000357069914 409836441 /nfs/dbraw/zinc/83/64/41/409836441.db2.gz HYXXDCKPQGCRIE-UHFFFAOYSA-N 0 2 317.374 1.743 20 30 DDEDLN N#CC(C(=O)c1cn(Cc2ccccc2)nn1)c1ccncn1 ZINC000354468022 409881573 /nfs/dbraw/zinc/88/15/73/409881573.db2.gz OWPQBZNXXCCQNP-ZDUSSCGKSA-N 0 2 304.313 1.606 20 30 DDEDLN N#C[C@H](C(=O)c1cn(Cc2ccccc2)nn1)c1ccncn1 ZINC000354468022 409881580 /nfs/dbraw/zinc/88/15/80/409881580.db2.gz OWPQBZNXXCCQNP-ZDUSSCGKSA-N 0 2 304.313 1.606 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cn(-c3ccc(C)cc3)nn2)c1C#N ZINC000357266645 409953445 /nfs/dbraw/zinc/95/34/45/409953445.db2.gz YAYZQBUNPWZIRT-UHFFFAOYSA-N 0 2 307.317 1.731 20 30 DDEDLN CN(C)c1nc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc(=O)[nH]1 ZINC000328776699 409976288 /nfs/dbraw/zinc/97/62/88/409976288.db2.gz SPSJFQDAVRGDDI-SECBINFHSA-N 0 2 302.338 1.354 20 30 DDEDLN COc1ccc2c(c1)[nH]cc(C(=O)N1CCOC[C@H]1C#N)c2=O ZINC000298061724 410094920 /nfs/dbraw/zinc/09/49/20/410094920.db2.gz IABZDQCBOIOOHQ-SNVBAGLBSA-N 0 2 313.313 1.314 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2CCO)cc1C#N ZINC000355055444 410274144 /nfs/dbraw/zinc/27/41/44/410274144.db2.gz KYFSZQPMRMEYRK-NSHDSACASA-N 0 2 321.402 1.758 20 30 DDEDLN COc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)nn1C ZINC000358002159 410337834 /nfs/dbraw/zinc/33/78/34/410337834.db2.gz SWTLHUZAGPWMMP-JTQLQIEISA-N 0 2 314.349 1.237 20 30 DDEDLN Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)nn1[C@@H](C)C1CC1 ZINC000347936477 410800618 /nfs/dbraw/zinc/80/06/18/410800618.db2.gz MWBCSYLMLINYSC-VIFPVBQESA-N 0 2 309.333 1.881 20 30 DDEDLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(C#N)cn1 ZINC000337783179 411000810 /nfs/dbraw/zinc/00/08/10/411000810.db2.gz VDNOABSUXYWQPH-UHFFFAOYSA-N 0 2 317.370 2.380 20 30 DDEDLN C=C[C@](C)(O)CC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000290709837 418578363 /nfs/dbraw/zinc/57/83/63/418578363.db2.gz KFMJGRCBAXSOJI-INIZCTEOSA-N 0 2 316.361 1.327 20 30 DDEDLN Cc1c[nH+]ccc1/C=C\C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000493700210 420919430 /nfs/dbraw/zinc/91/94/30/420919430.db2.gz XFBFHTKUHHAGFQ-ARJAWSKDSA-N 0 2 319.386 1.543 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2OC)cn1 ZINC000361649338 269786314 /nfs/dbraw/zinc/78/63/14/269786314.db2.gz ADGYOAMHXHMSGU-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)cn1 ZINC000359451554 268046364 /nfs/dbraw/zinc/04/63/64/268046364.db2.gz CESFFAMZZJJWCF-UHFFFAOYSA-N 0 2 307.269 1.549 20 30 DDEDLN N#Cc1ccsc1C(=O)Nc1cc(S(N)(=O)=O)ccc1O ZINC000357086570 268304223 /nfs/dbraw/zinc/30/42/23/268304223.db2.gz KAEOFGDLSLSROW-UHFFFAOYSA-N 0 2 323.355 1.225 20 30 DDEDLN COc1cc([C@@H](C#N)NC(=O)C(C)C#N)cc(OC)c1OC ZINC000345250235 335311984 /nfs/dbraw/zinc/31/19/84/335311984.db2.gz PIKOPSPCFPRUMX-MWLCHTKSSA-N 0 2 303.318 1.553 20 30 DDEDLN COc1cc([C@@H](C#N)NC(=O)[C@H](C)C#N)cc(OC)c1OC ZINC000345250235 335311985 /nfs/dbraw/zinc/31/19/85/335311985.db2.gz PIKOPSPCFPRUMX-MWLCHTKSSA-N 0 2 303.318 1.553 20 30 DDEDLN N#Cc1c(F)cccc1C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000425303942 484115918 /nfs/dbraw/zinc/11/59/18/484115918.db2.gz PMAXCMCXHKAOME-VIFPVBQESA-N 0 2 316.292 1.806 20 30 DDEDLN C#C[C@@H](CC)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000491815540 527237409 /nfs/dbraw/zinc/23/74/09/527237409.db2.gz UXCMIKODTQJXOB-LBPRGKRZSA-N 0 2 313.361 1.595 20 30 DDEDLN CCC[C@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)OC ZINC000452297123 528148092 /nfs/dbraw/zinc/14/80/92/528148092.db2.gz FCPGTTRKOMRTJR-SNVBAGLBSA-N 0 2 309.391 1.926 20 30 DDEDLN C[C@@H]1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000820238478 597655798 /nfs/dbraw/zinc/65/57/98/597655798.db2.gz QJYZPBFOCRORMZ-XUJVJEKNSA-N 0 2 304.350 1.297 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000825352136 604598879 /nfs/dbraw/zinc/59/88/79/604598879.db2.gz QXOWJAAHUPAOPV-WFASDCNBSA-N 0 2 319.361 1.294 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000825352136 604598883 /nfs/dbraw/zinc/59/88/83/604598883.db2.gz QXOWJAAHUPAOPV-WFASDCNBSA-N 0 2 319.361 1.294 20 30 DDEDLN C=CCc1cc(C[N@@H+]2CCO[C@@H](CC(=O)[O-])C2)cc(OC)c1O ZINC000833380209 604652330 /nfs/dbraw/zinc/65/23/30/604652330.db2.gz YNNYHPDXBIKIIL-AWEZNQCLSA-N 0 2 321.373 1.805 20 30 DDEDLN C=CCc1cc(C[N@H+]2CCO[C@@H](CC(=O)[O-])C2)cc(OC)c1O ZINC000833380209 604652334 /nfs/dbraw/zinc/65/23/34/604652334.db2.gz YNNYHPDXBIKIIL-AWEZNQCLSA-N 0 2 321.373 1.805 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cn1ccc2ccccc21 ZINC000122899452 696726596 /nfs/dbraw/zinc/72/65/96/696726596.db2.gz CLKNCMRACVKECA-CYBMUJFWSA-N 0 2 306.325 1.967 20 30 DDEDLN C=CCN(CC(=O)OCC)Cc1nc(=O)c2sccc2[nH]1 ZINC000103470571 696614722 /nfs/dbraw/zinc/61/47/22/696614722.db2.gz DQECMIHSOTVAFY-UHFFFAOYSA-N 0 2 307.375 1.536 20 30 DDEDLN COc1cc(C=NNc2nc(C)cc(=O)[nH]2)cc([N+](=O)[O-])c1O ZINC000254402390 698407313 /nfs/dbraw/zinc/40/73/13/698407313.db2.gz JBHSXGPAMOENTD-UHFFFAOYSA-N 0 2 319.277 1.559 20 30 DDEDLN C[C@H](C#N)Oc1ccccc1NC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000780680731 698547864 /nfs/dbraw/zinc/54/78/64/698547864.db2.gz IDTGAJGWSKTULN-MRVPVSSYSA-N 0 2 302.294 1.123 20 30 DDEDLN CCn1cc(N=C2SC(CC(=O)NC)C(=O)N2C2CC2)cn1 ZINC000726109853 699350236 /nfs/dbraw/zinc/35/02/36/699350236.db2.gz DMWQAQJSIZCNKY-LLVKDONJSA-N 0 2 321.406 1.133 20 30 DDEDLN CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C2CC2)cn1 ZINC000726109853 699350241 /nfs/dbraw/zinc/35/02/41/699350241.db2.gz DMWQAQJSIZCNKY-LLVKDONJSA-N 0 2 321.406 1.133 20 30 DDEDLN Cc1cc2c(cc1S(=O)(=O)Nc1cnn(CC#N)c1)OCO2 ZINC000794860354 699833169 /nfs/dbraw/zinc/83/31/69/699833169.db2.gz FZYHIBSYZUJLTF-UHFFFAOYSA-N 0 2 320.330 1.245 20 30 DDEDLN C#CCOc1ccc(F)cc1NC(=O)CC1SC(=N)NC1=O ZINC000742706199 699887300 /nfs/dbraw/zinc/88/73/00/699887300.db2.gz CMIMLJFWSXKIPQ-NSHDSACASA-N 0 2 321.333 1.333 20 30 DDEDLN C[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1cccc(C#N)c1 ZINC000743776632 699926640 /nfs/dbraw/zinc/92/66/40/699926640.db2.gz CTBCGAMKWAUIEZ-LDYMZIIASA-N 0 2 302.359 1.292 20 30 DDEDLN N#C[C@H](C(=O)Cc1cnn(-c2ccccc2)n1)c1ccncn1 ZINC000760352293 700804361 /nfs/dbraw/zinc/80/43/61/700804361.db2.gz KDWBCMPJQWCOHT-AWEZNQCLSA-N 0 2 304.313 1.476 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000803409521 701111655 /nfs/dbraw/zinc/11/16/55/701111655.db2.gz YGISREWMNISQOL-ZDUSSCGKSA-N 0 2 311.345 1.213 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000803409521 701111656 /nfs/dbraw/zinc/11/16/56/701111656.db2.gz YGISREWMNISQOL-ZDUSSCGKSA-N 0 2 311.345 1.213 20 30 DDEDLN N#Cc1nc(N2CC(CNC(=O)C(F)(F)F)C2)sc1Cl ZINC000866294150 706667521 /nfs/dbraw/zinc/66/75/21/706667521.db2.gz MHRLESCVWUUAOB-UHFFFAOYSA-N 0 2 324.715 1.783 20 30 DDEDLN O=C1NC(=O)C(=NN=C2c3ccccc3-c3ccccc32)C(=O)N1 ZINC000814216758 702497838 /nfs/dbraw/zinc/49/78/38/702497838.db2.gz DIZINEQJYOFOBW-UHFFFAOYSA-N 0 2 318.292 1.226 20 30 DDEDLN O=C(C#Cc1cccs1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000843877552 702937049 /nfs/dbraw/zinc/93/70/49/702937049.db2.gz GWWUNNIUOLWCRI-JTQLQIEISA-N 0 2 302.359 1.330 20 30 DDEDLN CC[C@@H](C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000845720233 703193272 /nfs/dbraw/zinc/19/32/72/703193272.db2.gz JYBBDFQMEUJQFU-NWDGAFQWSA-N 0 2 306.366 1.508 20 30 DDEDLN C#CCO[C@H](C)C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000848029087 703497251 /nfs/dbraw/zinc/49/72/51/703497251.db2.gz GHKBGFUAXJAMHU-SNVBAGLBSA-N 0 2 300.318 1.463 20 30 DDEDLN CCOC1CC2(C[C@@H]2C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000870242628 703970536 /nfs/dbraw/zinc/97/05/36/703970536.db2.gz FZRFNCDQWBQLSV-YZUGKSJVSA-N 0 2 301.346 1.517 20 30 DDEDLN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ncc[nH]2)C1=O ZINC000834785010 707117846 /nfs/dbraw/zinc/11/78/46/707117846.db2.gz FDGSWIAYUFCAJH-HNNXBMFYSA-N 0 2 321.381 1.726 20 30 DDEDLN Cc1cc(C#N)ccc1Cn1cc(CNC(=O)C(F)(F)F)nn1 ZINC000881341759 707204458 /nfs/dbraw/zinc/20/44/58/707204458.db2.gz XWVSNJYNPARZGV-UHFFFAOYSA-N 0 2 323.278 1.685 20 30 DDEDLN N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1[O-] ZINC000928088392 713124981 /nfs/dbraw/zinc/12/49/81/713124981.db2.gz HEHYUBWWTHQYAF-KBPBESRZSA-N 0 2 317.414 1.573 20 30 DDEDLN N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1[O-] ZINC000928088392 713124983 /nfs/dbraw/zinc/12/49/83/713124983.db2.gz HEHYUBWWTHQYAF-KBPBESRZSA-N 0 2 317.414 1.573 20 30 DDEDLN CC[S@](C)(=O)=NS(=O)(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000906061072 712234025 /nfs/dbraw/zinc/23/40/25/712234025.db2.gz DYXTXYFZTKRNRR-PISHQANHSA-N 0 2 307.441 1.411 20 30 DDEDLN Cc1[nH]c(-c2ccccc2)[nH+]c1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000916927416 713474771 /nfs/dbraw/zinc/47/47/71/713474771.db2.gz JBOIKOJBUDCJID-CYBMUJFWSA-N 0 2 308.341 1.986 20 30 DDEDLN C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969022662 719927978 /nfs/dbraw/zinc/92/79/78/719927978.db2.gz GWVJCCPZWSCVHF-LSDHHAIUSA-N 0 2 314.433 1.824 20 30 DDEDLN C#CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224356 733280148 /nfs/dbraw/zinc/28/01/48/733280148.db2.gz FAYBBMMELQYILS-IAGOWNOFSA-N 0 2 314.433 1.609 20 30 DDEDLN C[C@@H](CNc1ccncc1C#N)N(C)C(=O)C(F)C(F)(F)F ZINC001104847134 737276800 /nfs/dbraw/zinc/27/68/00/737276800.db2.gz DHSORKBKGSFKON-GZMMTYOYSA-N 0 2 318.274 1.534 20 30 DDEDLN C[C@@H](CNc1ccncc1C#N)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001104847134 737276801 /nfs/dbraw/zinc/27/68/01/737276801.db2.gz DHSORKBKGSFKON-GZMMTYOYSA-N 0 2 318.274 1.534 20 30 DDEDLN N#CCS(=O)(=O)Nc1ccc(Br)c(F)c1F ZINC001192981192 745940512 /nfs/dbraw/zinc/94/05/12/745940512.db2.gz YNMXGRGGBPKSKX-UHFFFAOYSA-N 0 2 311.107 1.993 20 30 DDEDLN C[C@@H](C#N)S(=O)(=O)Nc1cnc2c(C(C)(C)C)cnn2c1 ZINC001193112099 745982247 /nfs/dbraw/zinc/98/22/47/745982247.db2.gz OLSDNQVYYWBKLJ-VIFPVBQESA-N 0 2 307.379 1.681 20 30 DDEDLN N=C(c1ccccc1N)N(O)C(=O)c1cc(Cl)ncc1O ZINC001196395848 746855313 /nfs/dbraw/zinc/85/53/13/746855313.db2.gz JWCXYXCNBFPDRO-UHFFFAOYSA-N 0 2 306.709 1.880 20 30 DDEDLN C#Cc1nccnc1NS(=O)(=O)Cc1cccc(OC)c1 ZINC001197347161 747133552 /nfs/dbraw/zinc/13/35/52/747133552.db2.gz LRUZTMRTEBTUSJ-UHFFFAOYSA-N 0 2 303.343 1.408 20 30 DDEDLN C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213281 748949860 /nfs/dbraw/zinc/94/98/60/748949860.db2.gz ZESKBKGHYBHDHH-KBPBESRZSA-N 0 2 302.422 1.542 20 30 DDEDLN C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213281 748949866 /nfs/dbraw/zinc/94/98/66/748949866.db2.gz ZESKBKGHYBHDHH-KBPBESRZSA-N 0 2 302.422 1.542 20 30 DDEDLN CCOC(=O)C(C#N)Nc1c(C(=O)OC)cccc1C(=O)OC ZINC001170369278 766268840 /nfs/dbraw/zinc/26/88/40/766268840.db2.gz MNEWSJFYFJBODV-LLVKDONJSA-N 0 2 320.301 1.127 20 30 DDEDLN C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001046319085 767417238 /nfs/dbraw/zinc/41/72/38/767417238.db2.gz PDQCQFZFFRACDK-YOEHRIQHSA-N 0 2 300.406 1.434 20 30 DDEDLN C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@H]1C ZINC001071440057 769435935 /nfs/dbraw/zinc/43/59/35/769435935.db2.gz MTYXUKPYAHSDKM-MWLCHTKSSA-N 0 2 312.801 1.759 20 30 DDEDLN C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@H]1C ZINC001071440057 769435940 /nfs/dbraw/zinc/43/59/40/769435940.db2.gz MTYXUKPYAHSDKM-MWLCHTKSSA-N 0 2 312.801 1.759 20 30 DDEDLN N#CCc1nc(Cl)cc(NCCNC(=O)C(F)(F)F)n1 ZINC001164237326 869045241 /nfs/dbraw/zinc/04/52/41/869045241.db2.gz AQKCNDBXVNZXFX-UHFFFAOYSA-N 0 2 307.663 1.286 20 30 DDEDLN C=CCCC(=O)N1CC2(C1)CCN(C(=O)C(F)C(F)(F)F)C2 ZINC001339874544 870754209 /nfs/dbraw/zinc/75/42/09/870754209.db2.gz COJJTDJPSADDGT-NSHDSACASA-N 0 2 322.302 1.914 20 30 DDEDLN C=CCCC(=O)N1CC2(C1)CCN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001339874544 870754218 /nfs/dbraw/zinc/75/42/18/870754218.db2.gz COJJTDJPSADDGT-NSHDSACASA-N 0 2 322.302 1.914 20 30 DDEDLN CN(CCNC(=O)C(F)C(F)(F)F)CC(F)(F)C(F)F ZINC001317447204 870855252 /nfs/dbraw/zinc/85/52/52/870855252.db2.gz QUZNCODWSJVPLX-RXMQYKEDSA-N 0 2 316.192 1.835 20 30 DDEDLN CN(CCNC(=O)[C@@H](F)C(F)(F)F)CC(F)(F)C(F)F ZINC001317447204 870855269 /nfs/dbraw/zinc/85/52/69/870855269.db2.gz QUZNCODWSJVPLX-RXMQYKEDSA-N 0 2 316.192 1.835 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N(C)CCCF ZINC001340207466 870960526 /nfs/dbraw/zinc/96/05/26/870960526.db2.gz QNXBEOZLTDURRU-UHFFFAOYSA-N 0 2 308.361 1.849 20 30 DDEDLN C=C(CO)C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001302064252 871040730 /nfs/dbraw/zinc/04/07/30/871040730.db2.gz WQPAJZMXVJJKCR-UHFFFAOYSA-N 0 2 320.242 1.491 20 30 DDEDLN Cn1cnnc1COCC(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC001346088413 873609749 /nfs/dbraw/zinc/60/97/49/873609749.db2.gz XCWDADMCNOUDQE-SNVBAGLBSA-N 0 2 311.301 1.349 20 30 DDEDLN COc1ccc(N)cc1S(=O)(=O)Nc1cnc(C#N)c(C)c1 ZINC001210205162 875264462 /nfs/dbraw/zinc/26/44/62/875264462.db2.gz FAOFGRMGKOPZGM-UHFFFAOYSA-N 0 2 318.358 1.653 20 30 DDEDLN CC(C)C#CC(=O)N[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001351084255 876049274 /nfs/dbraw/zinc/04/92/74/876049274.db2.gz PNDZBLJTWFNGIL-JQWIXIFHSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)N[C@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001351084255 876049291 /nfs/dbraw/zinc/04/92/91/876049291.db2.gz PNDZBLJTWFNGIL-JQWIXIFHSA-N 0 2 322.302 1.653 20 30 DDEDLN Cc1ccc(C(N)=O)c(NC(=O)c2[nH]c(=O)c(C#N)cc2C)c1 ZINC001363171990 885636895 /nfs/dbraw/zinc/63/68/95/885636895.db2.gz WQFMNHIMZDELIC-UHFFFAOYSA-N 0 2 310.313 1.627 20 30 DDEDLN Cn1c[nH+]c(C[N-]S(=O)(=O)c2c(F)cc(C#N)cc2F)c1 ZINC001364973736 889793404 /nfs/dbraw/zinc/79/34/04/889793404.db2.gz CQXJBPIYIHNIDK-UHFFFAOYSA-N 0 2 312.301 1.048 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)CCC1=O ZINC001250710957 894376122 /nfs/dbraw/zinc/37/61/22/894376122.db2.gz POZXHILURBFCEM-AWEZNQCLSA-N 0 2 314.366 1.943 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2ccnc3cccnc32)c1 ZINC001259118362 898476245 /nfs/dbraw/zinc/47/62/45/898476245.db2.gz MKHJXTFYHQQGCO-UHFFFAOYSA-N 0 2 310.338 1.724 20 30 DDEDLN C#Cc1cccnc1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259350160 898620744 /nfs/dbraw/zinc/62/07/44/898620744.db2.gz VKCRYGDGGROYHQ-UHFFFAOYSA-N 0 2 300.339 1.799 20 30 DDEDLN COC(=O)c1cc(C#N)ccc1NS(=O)(=O)c1cccnc1 ZINC001259608300 898736771 /nfs/dbraw/zinc/73/67/71/898736771.db2.gz CMZZWUUEAPKAOP-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN C=CCS(=O)(=O)Nc1nc(SC)sc1C(=O)OCC ZINC001259923005 898935829 /nfs/dbraw/zinc/93/58/29/898935829.db2.gz NBLIMFDKPRVLDO-UHFFFAOYSA-N 0 2 322.433 1.969 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2cnc3ccccc3c2)CCC1=O ZINC001260008609 899009592 /nfs/dbraw/zinc/00/95/92/899009592.db2.gz XCJHQIJXOUTYBP-GFCCVEGCSA-N 0 2 315.354 1.338 20 30 DDEDLN C#Cc1cc(=NS(=O)(=O)c2cccc(C(=O)OC)c2)cc[nH]1 ZINC001260839501 899283196 /nfs/dbraw/zinc/28/31/96/899283196.db2.gz ZHOSMTPYALQHRR-UHFFFAOYSA-N 0 2 316.338 1.072 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CCC1=O ZINC001260981123 899313421 /nfs/dbraw/zinc/31/34/21/899313421.db2.gz KADMHGVUFQHJTM-AWEZNQCLSA-N 0 2 318.398 1.669 20 30 DDEDLN N#Cc1ccc(C(=O)NCCCNC(=O)C(F)C(F)(F)F)[nH]1 ZINC001293251961 914372276 /nfs/dbraw/zinc/37/22/76/914372276.db2.gz ICGVEGXOUARLSY-VIFPVBQESA-N 0 2 320.246 1.023 20 30 DDEDLN N#Cc1ccc(C(=O)NCCCNC(=O)[C@H](F)C(F)(F)F)[nH]1 ZINC001293251961 914372292 /nfs/dbraw/zinc/37/22/92/914372292.db2.gz ICGVEGXOUARLSY-VIFPVBQESA-N 0 2 320.246 1.023 20 30 DDEDLN C=CCCC(=O)NC1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001281347376 904708650 /nfs/dbraw/zinc/70/86/50/904708650.db2.gz WLBQKLCKLDRMOV-NWGYLPEXSA-N 0 2 310.291 1.959 20 30 DDEDLN C=CCCC(=O)NC1CC(N(C)C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001281347376 904708656 /nfs/dbraw/zinc/70/86/56/904708656.db2.gz WLBQKLCKLDRMOV-NWGYLPEXSA-N 0 2 310.291 1.959 20 30 DDEDLN C=CCC(CC=C)C(=O)NCCNC(=O)C(F)C(F)(F)F ZINC001283034622 906506655 /nfs/dbraw/zinc/50/66/55/906506655.db2.gz BJILCMDSBCDMPT-SNVBAGLBSA-N 0 2 310.291 1.888 20 30 DDEDLN C=CCC(CC=C)C(=O)NCCNC(=O)[C@@H](F)C(F)(F)F ZINC001283034622 906506660 /nfs/dbraw/zinc/50/66/60/906506660.db2.gz BJILCMDSBCDMPT-SNVBAGLBSA-N 0 2 310.291 1.888 20 30 DDEDLN C#CC[N@@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001284055772 908404929 /nfs/dbraw/zinc/40/49/29/908404929.db2.gz CAVXDCAGXMKWFR-WMLDXEAASA-N 0 2 300.406 1.099 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)NC(=O)c1c[nH]c(C#N)c1 ZINC001372907467 908551660 /nfs/dbraw/zinc/55/16/60/908551660.db2.gz MCVNUOMKNOTMBQ-MUWHJKNJSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)NC(=O)c1c[nH]c(C#N)c1 ZINC001372907467 908551665 /nfs/dbraw/zinc/55/16/65/908551665.db2.gz MCVNUOMKNOTMBQ-MUWHJKNJSA-N 0 2 320.246 1.021 20 30 DDEDLN C=CCCC(=O)NC[C@H](NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001294867222 915418055 /nfs/dbraw/zinc/41/80/55/915418055.db2.gz YSXNOMGSLFYVOE-ONGXEEELSA-N 0 2 310.291 1.864 20 30 DDEDLN C=CCCC(=O)NC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001294867222 915418065 /nfs/dbraw/zinc/41/80/65/915418065.db2.gz YSXNOMGSLFYVOE-ONGXEEELSA-N 0 2 310.291 1.864 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC[C@@](F)(C#N)C2)cc1C#N ZINC000615823733 362454943 /nfs/dbraw/zinc/45/49/43/362454943.db2.gz XZZUJUQDHOBYEW-CYBMUJFWSA-N 0 2 306.322 1.459 20 30 DDEDLN COc1cccnc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000589586602 355002900 /nfs/dbraw/zinc/00/29/00/355002900.db2.gz OHBWVPFICQAMNH-UHFFFAOYSA-N 0 2 303.343 1.957 20 30 DDEDLN Cc1oc(NS(=O)(=O)c2ccc(C#N)nc2)nc1C1CC1 ZINC000590743775 355160986 /nfs/dbraw/zinc/16/09/86/355160986.db2.gz YSJXFRIBWJQOET-UHFFFAOYSA-N 0 2 304.331 1.928 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000592796269 355695482 /nfs/dbraw/zinc/69/54/82/355695482.db2.gz KNWQRZHWTGUNLF-UHFFFAOYSA-N 0 2 313.317 1.107 20 30 DDEDLN N#CCCN1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)CC1 ZINC000602204339 358882114 /nfs/dbraw/zinc/88/21/14/358882114.db2.gz LOBITLWWZAOZIF-UHFFFAOYSA-N 0 2 311.744 1.856 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2cc(C)on2)cc1C#N ZINC000604431733 359750564 /nfs/dbraw/zinc/75/05/64/359750564.db2.gz CYGXTUBBCUPSJR-UHFFFAOYSA-N 0 2 304.331 1.607 20 30 DDEDLN COC[C@H]1CCCN1C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000610638654 360489107 /nfs/dbraw/zinc/48/91/07/360489107.db2.gz SMGDQKXDRCJJIE-SNVBAGLBSA-N 0 2 307.375 1.632 20 30 DDEDLN Cc1csc(C(C#N)C(=O)c2cnc3ccccn3c2=O)n1 ZINC000041516977 183196777 /nfs/dbraw/zinc/19/67/77/183196777.db2.gz YODCVUHGDYKJKV-SNVBAGLBSA-N 0 2 310.338 1.950 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCO[C@H]2C2CC2)cc1C#N ZINC000340785009 251210341 /nfs/dbraw/zinc/21/03/41/251210341.db2.gz ZTNRBUCBOFFCOM-RYUDHWBXSA-N 0 2 319.386 1.678 20 30 DDEDLN Cc1noc(Cl)c1CCC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000066044684 184385499 /nfs/dbraw/zinc/38/54/99/184385499.db2.gz REFAAPVBWJQBRK-UHFFFAOYSA-N 0 2 304.697 1.674 20 30 DDEDLN C=CCCOCC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000144397013 408181767 /nfs/dbraw/zinc/18/17/67/408181767.db2.gz WVMOHSFWXDDNQS-UHFFFAOYSA-N 0 2 307.375 1.536 20 30 DDEDLN N#CCN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000275145075 408578830 /nfs/dbraw/zinc/57/88/30/408578830.db2.gz QTMNXJQCZMCROO-NSHDSACASA-N 0 2 318.333 1.266 20 30 DDEDLN C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000295023365 409308802 /nfs/dbraw/zinc/30/88/02/409308802.db2.gz NWYLZCUDNGSSHN-CQSZACIVSA-N 0 2 308.447 1.696 20 30 DDEDLN CCCc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)[nH]n1 ZINC000314094988 164013217 /nfs/dbraw/zinc/01/32/17/164013217.db2.gz GIODADKCWMYWLA-UHFFFAOYSA-N 0 2 305.363 1.738 20 30 DDEDLN CCOC(=O)c1cc(NC(=O)c2ccc(C#N)c(O)c2)n[nH]1 ZINC000526944173 417193268 /nfs/dbraw/zinc/19/32/68/417193268.db2.gz YWUQGKCRKZLRTO-UHFFFAOYSA-N 0 2 300.274 1.416 20 30 DDEDLN Cc1nc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)nn1C ZINC000427633630 419704234 /nfs/dbraw/zinc/70/42/34/419704234.db2.gz LGCNIYIUJJBRKD-UHFFFAOYSA-N 0 2 311.754 1.449 20 30 DDEDLN CCCc1nnc(NS(=O)(=O)c2cnc(C)c(C#N)c2)s1 ZINC000427790101 419733863 /nfs/dbraw/zinc/73/38/63/419733863.db2.gz QJJNSAFROQFWQQ-UHFFFAOYSA-N 0 2 323.403 1.867 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)s1 ZINC000435500123 229393147 /nfs/dbraw/zinc/39/31/47/229393147.db2.gz FFMQGQUKGHRMQA-UHFFFAOYSA-N 0 2 318.330 1.882 20 30 DDEDLN N#Cc1ccc(NCc2nnc(COc3ccccc3)[nH]2)nn1 ZINC000302239280 230194805 /nfs/dbraw/zinc/19/48/05/230194805.db2.gz HJCFXQLDZOXVKG-UHFFFAOYSA-N 0 2 307.317 1.657 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@]1(C)Br ZINC000528967587 421524894 /nfs/dbraw/zinc/52/48/94/421524894.db2.gz BQMGHGQPEDWVJZ-LWINAJNOSA-N 0 2 310.151 1.485 20 30 DDEDLN C=CCCn1cc(C(=O)N=c2nc(C(C)(C)OC)[nH]s2)nn1 ZINC000634149605 422287886 /nfs/dbraw/zinc/28/78/86/422287886.db2.gz YTMXYNFESZXQNG-UHFFFAOYSA-N 0 2 322.394 1.261 20 30 DDEDLN N#Cc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000352876165 268299274 /nfs/dbraw/zinc/29/92/74/268299274.db2.gz KPYHLZJOIWOVMQ-UHFFFAOYSA-N 0 2 304.287 1.662 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCO[C@@H](C)[C@H]2C)cc1C#N ZINC000150906965 281658213 /nfs/dbraw/zinc/65/82/13/281658213.db2.gz IWDNTHKNSIPGJR-BDAKNGLRSA-N 0 2 307.375 1.218 20 30 DDEDLN Cn1cnc(-c2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2)n1 ZINC000183196190 303012442 /nfs/dbraw/zinc/01/24/42/303012442.db2.gz YISWUGAEULCSDQ-UHFFFAOYSA-N 0 2 318.300 1.201 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)s1 ZINC000435480339 303199819 /nfs/dbraw/zinc/19/98/19/303199819.db2.gz OMNCXZLOWKLICP-UHFFFAOYSA-N 0 2 322.371 1.911 20 30 DDEDLN Cn1ncc(C#N)c1NS(=O)(=O)c1cccc2ncccc21 ZINC000156898958 527563927 /nfs/dbraw/zinc/56/39/27/527563927.db2.gz ISDPYMMVEVNRBT-UHFFFAOYSA-N 0 2 313.342 1.641 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)c2c[nH]nc2C)n1 ZINC000347747957 528366437 /nfs/dbraw/zinc/36/64/37/528366437.db2.gz RMRQVUOJQWABPP-MRVPVSSYSA-N 0 2 304.331 1.841 20 30 DDEDLN C[C@@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000819875431 597617053 /nfs/dbraw/zinc/61/70/53/597617053.db2.gz WTRIXOUGPPTPTG-INIZCTEOSA-N 0 2 313.313 1.920 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000739588437 602782666 /nfs/dbraw/zinc/78/26/66/602782666.db2.gz YAVCYRRFAKOADU-KGLIPLIRSA-N 0 2 316.361 1.159 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000739588437 602782668 /nfs/dbraw/zinc/78/26/68/602782668.db2.gz YAVCYRRFAKOADU-KGLIPLIRSA-N 0 2 316.361 1.159 20 30 DDEDLN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823715330 603837935 /nfs/dbraw/zinc/83/79/35/603837935.db2.gz RWNIVMOBDQZJCC-BXUZGUMPSA-N 0 2 316.361 1.569 20 30 DDEDLN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823715330 603837936 /nfs/dbraw/zinc/83/79/36/603837936.db2.gz RWNIVMOBDQZJCC-BXUZGUMPSA-N 0 2 316.361 1.569 20 30 DDEDLN CCc1nc(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cs1 ZINC000122764937 696725099 /nfs/dbraw/zinc/72/50/99/696725099.db2.gz FHSFMTYDGIZSEM-SNVBAGLBSA-N 0 2 302.359 1.573 20 30 DDEDLN N#C[C@H](C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)c1ccccn1 ZINC000193251875 697656558 /nfs/dbraw/zinc/65/65/58/697656558.db2.gz YVSMSTCXHQDTHN-WCABBAIRSA-N 0 2 311.263 1.715 20 30 DDEDLN COCc1cccc(S(=O)(=O)Nc2cnn(CC#N)c2)c1 ZINC000727359470 699410463 /nfs/dbraw/zinc/41/04/63/699410463.db2.gz OPJSPHFHIIHSNT-UHFFFAOYSA-N 0 2 306.347 1.354 20 30 DDEDLN N#Cc1ccc(F)c(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)c1 ZINC000847088453 703376351 /nfs/dbraw/zinc/37/63/51/703376351.db2.gz AHZDXNQSVYCNKM-SNVBAGLBSA-N 0 2 316.292 1.806 20 30 DDEDLN C#CCN(CC#N)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000861521904 705491394 /nfs/dbraw/zinc/49/13/94/705491394.db2.gz VUBFKARNDUIPBM-UHFFFAOYSA-N 0 2 313.235 1.057 20 30 DDEDLN N#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1[O-] ZINC000928088398 713124728 /nfs/dbraw/zinc/12/47/28/713124728.db2.gz HEHYUBWWTHQYAF-UONOGXRCSA-N 0 2 317.414 1.573 20 30 DDEDLN N#Cc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1[O-] ZINC000928088398 713124729 /nfs/dbraw/zinc/12/47/29/713124729.db2.gz HEHYUBWWTHQYAF-UONOGXRCSA-N 0 2 317.414 1.573 20 30 DDEDLN COC[C@H](C)/N=C1/NC(=O)C(CC(=O)Nc2ccccc2)S1 ZINC000916229916 713447492 /nfs/dbraw/zinc/44/74/92/713447492.db2.gz XRPXXUOIIZLTCS-CMPLNLGQSA-N 0 2 321.402 1.638 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000941291712 717147750 /nfs/dbraw/zinc/14/77/50/717147750.db2.gz UCZRUMBAEWRFII-RKDXNWHRSA-N 0 2 309.263 1.107 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000941291712 717147753 /nfs/dbraw/zinc/14/77/53/717147753.db2.gz UCZRUMBAEWRFII-RKDXNWHRSA-N 0 2 309.263 1.107 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)CNc1cnc(C#N)cn1 ZINC001104237415 732738335 /nfs/dbraw/zinc/73/83/35/732738335.db2.gz XUDPQHBLCAPPRR-GMSGAONNSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)CNc1cnc(C#N)cn1 ZINC001104237415 732738339 /nfs/dbraw/zinc/73/83/39/732738339.db2.gz XUDPQHBLCAPPRR-GMSGAONNSA-N 0 2 319.262 1.413 20 30 DDEDLN C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001027885209 738772917 /nfs/dbraw/zinc/77/29/17/738772917.db2.gz BJAOIOSZLAVOIV-LSDHHAIUSA-N 0 2 302.422 1.986 20 30 DDEDLN C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001024734276 736054946 /nfs/dbraw/zinc/05/49/46/736054946.db2.gz UQWFDJRIOZKSJQ-QGZVFWFLSA-N 0 2 323.400 1.485 20 30 DDEDLN CSc1ncc(O)c(C(=O)Nc2ccc(O)c(C#N)c2)n1 ZINC001185186590 744174510 /nfs/dbraw/zinc/17/45/10/744174510.db2.gz QENULOCPDQEGJI-UHFFFAOYSA-N 0 2 302.315 1.734 20 30 DDEDLN N#Cc1cnn2c1ncc(C#N)c2NC(=O)c1ccc(O)c(F)c1 ZINC001186208742 744363898 /nfs/dbraw/zinc/36/38/98/744363898.db2.gz IHFFTZUQXOGLSD-UHFFFAOYSA-N 0 2 322.259 1.570 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188884038 744781753 /nfs/dbraw/zinc/78/17/53/744781753.db2.gz CRKKYUYKQDZZPJ-RWMBFGLXSA-N 0 2 319.409 1.145 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188884038 744781756 /nfs/dbraw/zinc/78/17/56/744781756.db2.gz CRKKYUYKQDZZPJ-RWMBFGLXSA-N 0 2 319.409 1.145 20 30 DDEDLN C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001190444811 745209474 /nfs/dbraw/zinc/20/94/74/745209474.db2.gz RYMGHPZXNOHODB-UONOGXRCSA-N 0 2 319.852 1.952 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)c1O ZINC001193647108 746165951 /nfs/dbraw/zinc/16/59/51/746165951.db2.gz WAGOALLQIOQTDN-UHFFFAOYSA-N 0 2 309.281 1.847 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2nc3ncccc3cc2C#N)[nH]n1 ZINC001194278657 746315962 /nfs/dbraw/zinc/31/59/62/746315962.db2.gz HHHGQJGXDQVLLM-UHFFFAOYSA-N 0 2 322.284 1.263 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2nc3ncccc3cc2C#N)n[nH]1 ZINC001194278657 746315967 /nfs/dbraw/zinc/31/59/67/746315967.db2.gz HHHGQJGXDQVLLM-UHFFFAOYSA-N 0 2 322.284 1.263 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2cc(F)c(C#N)cc2C)[nH]n1 ZINC001194289099 746344796 /nfs/dbraw/zinc/34/47/96/746344796.db2.gz XADFKFIEPXDDNN-UHFFFAOYSA-N 0 2 302.265 1.768 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2cc(F)c(C#N)cc2C)n[nH]1 ZINC001194289099 746344803 /nfs/dbraw/zinc/34/48/03/746344803.db2.gz XADFKFIEPXDDNN-UHFFFAOYSA-N 0 2 302.265 1.768 20 30 DDEDLN C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001034018572 750258935 /nfs/dbraw/zinc/25/89/35/750258935.db2.gz FKBSIOUTRCCLLN-LLVKDONJSA-N 0 2 314.345 1.098 20 30 DDEDLN C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001034018572 750258939 /nfs/dbraw/zinc/25/89/39/750258939.db2.gz FKBSIOUTRCCLLN-LLVKDONJSA-N 0 2 314.345 1.098 20 30 DDEDLN C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001079700589 755536648 /nfs/dbraw/zinc/53/66/48/755536648.db2.gz FCAZMSJGSKDEMY-VHDGCEQUSA-N 0 2 300.406 1.289 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001015988634 756700351 /nfs/dbraw/zinc/70/03/51/756700351.db2.gz CXTZCBCFMBDZMK-SECBINFHSA-N 0 2 322.752 1.485 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001015988634 756700354 /nfs/dbraw/zinc/70/03/54/756700354.db2.gz CXTZCBCFMBDZMK-SECBINFHSA-N 0 2 322.752 1.485 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1 ZINC001109683629 763942082 /nfs/dbraw/zinc/94/20/82/763942082.db2.gz VLZRZZGZEYAUHO-YRORDHRNSA-N 0 2 319.409 1.334 20 30 DDEDLN CCOC(=O)[C@@H](C#N)Nc1nccc(Br)c1C#N ZINC001170369334 766268899 /nfs/dbraw/zinc/26/88/99/766268899.db2.gz NNOHBSWLYWSGRQ-SECBINFHSA-N 0 2 309.123 1.583 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CCC(F)CC1 ZINC001121595452 782582977 /nfs/dbraw/zinc/58/29/77/782582977.db2.gz BDLQPFJEVMBSAZ-UHFFFAOYSA-N 0 2 320.372 1.991 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132218239 768690532 /nfs/dbraw/zinc/69/05/32/768690532.db2.gz NYBWFOWMALCVEF-RYUDHWBXSA-N 0 2 321.425 1.582 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132218239 768690537 /nfs/dbraw/zinc/69/05/37/768690537.db2.gz NYBWFOWMALCVEF-RYUDHWBXSA-N 0 2 321.425 1.582 20 30 DDEDLN N#Cc1cnccc1N1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001096491583 770463061 /nfs/dbraw/zinc/46/30/61/770463061.db2.gz MZLXNTFGIPOQGY-KOLCDFICSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1cnccc1N1CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001096491583 770463069 /nfs/dbraw/zinc/46/30/69/770463069.db2.gz MZLXNTFGIPOQGY-KOLCDFICSA-N 0 2 316.258 1.549 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(C)c1[O-] ZINC001049421393 770807685 /nfs/dbraw/zinc/80/76/85/770807685.db2.gz COEAVXXHHPHLNJ-NWDGAFQWSA-N 0 2 324.812 1.855 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(C)c1[O-] ZINC001049421393 770807694 /nfs/dbraw/zinc/80/76/94/770807694.db2.gz COEAVXXHHPHLNJ-NWDGAFQWSA-N 0 2 324.812 1.855 20 30 DDEDLN Cc1ccc(C#N)c(N(C)CCNC(=O)C(F)C(F)(F)F)n1 ZINC001100366950 776059384 /nfs/dbraw/zinc/05/93/84/776059384.db2.gz NINDCUQWFJZMQZ-SNVBAGLBSA-N 0 2 318.274 1.715 20 30 DDEDLN Cc1ccc(C#N)c(N(C)CCNC(=O)[C@@H](F)C(F)(F)F)n1 ZINC001100366950 776059387 /nfs/dbraw/zinc/05/93/87/776059387.db2.gz NINDCUQWFJZMQZ-SNVBAGLBSA-N 0 2 318.274 1.715 20 30 DDEDLN C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCc2nc[nH]n2)C1 ZINC001111687638 779505587 /nfs/dbraw/zinc/50/55/87/779505587.db2.gz HVKDXPYXGPGILB-WFASDCNBSA-N 0 2 323.828 1.461 20 30 DDEDLN CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034364177 848419481 /nfs/dbraw/zinc/41/94/81/848419481.db2.gz IRQBJEKBJBMHGG-MRXNPFEDSA-N 0 2 317.433 1.949 20 30 DDEDLN N#CCNc1ncccc1S(=O)(=O)Nc1cccc(F)c1 ZINC001155534686 862199965 /nfs/dbraw/zinc/19/99/65/862199965.db2.gz MPPUIETZQIEZJU-UHFFFAOYSA-N 0 2 306.322 1.957 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)nn1 ZINC001095758577 855322919 /nfs/dbraw/zinc/32/29/19/855322919.db2.gz NTLBVNUSGNSIFJ-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN CN(CCCNC(=O)[C@@H](F)C(F)(F)F)c1ccc(C#N)nn1 ZINC001095758577 855322928 /nfs/dbraw/zinc/32/29/28/855322928.db2.gz NTLBVNUSGNSIFJ-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN C=CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)OCC ZINC001324136727 867099175 /nfs/dbraw/zinc/09/91/75/867099175.db2.gz RPCPTOZIIVYUPI-NSHDSACASA-N 0 2 308.290 1.538 20 30 DDEDLN Cn1ccnc1C(=O)[C@H](C#N)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001343349633 872590717 /nfs/dbraw/zinc/59/07/17/872590717.db2.gz HBVOWDWXUWJSSJ-LLVKDONJSA-N 0 2 310.313 1.603 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208392741 874102924 /nfs/dbraw/zinc/10/29/24/874102924.db2.gz CQVPNRUVLCJBAI-GRYCIOLGSA-N 0 2 307.398 1.049 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208392741 874102932 /nfs/dbraw/zinc/10/29/32/874102932.db2.gz CQVPNRUVLCJBAI-GRYCIOLGSA-N 0 2 307.398 1.049 20 30 DDEDLN N#Cc1cnccc1Nc1nonc1-c1cn2ccncc2n1 ZINC001214007152 876126462 /nfs/dbraw/zinc/12/64/62/876126462.db2.gz QIGSVQWJMPMXBM-UHFFFAOYSA-N 0 2 304.273 1.790 20 30 DDEDLN CCOC(=O)CS(=O)(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000311885796 878158117 /nfs/dbraw/zinc/15/81/17/878158117.db2.gz VNNLIHDWJJPYKI-UHFFFAOYSA-N 0 2 302.739 1.516 20 30 DDEDLN C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001287636453 912364105 /nfs/dbraw/zinc/36/41/05/912364105.db2.gz DZVKEEZBDAKUKP-ONGXEEELSA-N 0 2 324.318 1.899 20 30 DDEDLN C[C@@H](CN(C)C(=O)[C@H](F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001287636453 912364125 /nfs/dbraw/zinc/36/41/25/912364125.db2.gz DZVKEEZBDAKUKP-ONGXEEELSA-N 0 2 324.318 1.899 20 30 DDEDLN COc1ccc(OC)c(/C(=N/O)O[C@@H]2CCN(CC#N)C2)c1 ZINC001223893251 881138641 /nfs/dbraw/zinc/13/86/41/881138641.db2.gz SZEFKYAGBLHCLX-UWENYHRYSA-N 0 2 305.334 1.454 20 30 DDEDLN CSCC[C@H](NC(=O)c1ccc(C#N)c(O)c1)c1nn[nH]n1 ZINC001362689392 884418793 /nfs/dbraw/zinc/41/87/93/884418793.db2.gz POKFZQZPPFSMAM-JTQLQIEISA-N 0 2 318.362 1.001 20 30 DDEDLN C#Cc1cccnc1NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC001257010434 897670344 /nfs/dbraw/zinc/67/03/44/897670344.db2.gz URVZXEIFZAXIOT-UHFFFAOYSA-N 0 2 318.354 1.881 20 30 DDEDLN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(C#N)nc1 ZINC001258352585 898147672 /nfs/dbraw/zinc/14/76/72/898147672.db2.gz SJEXZCJNCRISRS-UHFFFAOYSA-N 0 2 311.754 1.449 20 30 DDEDLN CC(C)Oc1ccc(S(=O)(=O)Nc2cnn(C)c2C#N)cc1 ZINC001259402600 898652811 /nfs/dbraw/zinc/65/28/11/898652811.db2.gz DRWJAQRGPBOJCP-UHFFFAOYSA-N 0 2 320.374 1.880 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2cc(Cl)ccc2F)cn1 ZINC001259453566 898677824 /nfs/dbraw/zinc/67/78/24/898677824.db2.gz VNSKBXPINLFALN-UHFFFAOYSA-N 0 2 312.713 1.942 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cccc(C#N)n2)cc1F ZINC001260656891 899204864 /nfs/dbraw/zinc/20/48/64/899204864.db2.gz ZSTUGYDDIYVGQK-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN C[C@@]1(NC(=O)C(F)C(F)(F)F)CCN(C(=O)C#CC2CC2)C1 ZINC001286092718 911682368 /nfs/dbraw/zinc/68/23/68/911682368.db2.gz FIASQXWOGUYNLH-DGCLKSJQSA-N 0 2 320.286 1.407 20 30 DDEDLN C[C@@]1(NC(=O)[C@@H](F)C(F)(F)F)CCN(C(=O)C#CC2CC2)C1 ZINC001286092718 911682377 /nfs/dbraw/zinc/68/23/77/911682377.db2.gz FIASQXWOGUYNLH-DGCLKSJQSA-N 0 2 320.286 1.407 20 30 DDEDLN C#CCN(C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]21)C1CC1 ZINC000274151266 186439268 /nfs/dbraw/zinc/43/92/68/186439268.db2.gz ZDYPYANVDSATFS-KCQAQPDRSA-N 0 2 321.446 1.336 20 30 DDEDLN Cc1c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)nnn1-c1ccccc1 ZINC000056291273 352766088 /nfs/dbraw/zinc/76/60/88/352766088.db2.gz AEUHBZXBPYGGLK-UHFFFAOYSA-N 0 2 318.300 1.294 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1nc(CC(=O)OC)cs1 ZINC000589974474 355036181 /nfs/dbraw/zinc/03/61/81/355036181.db2.gz WZENSPBTJWFICZ-UHFFFAOYSA-N 0 2 304.393 1.567 20 30 DDEDLN CC1(C#N)CCN(C(=O)c2cccc(-c3nc(=O)o[nH]3)c2)CC1 ZINC000597485963 357192764 /nfs/dbraw/zinc/19/27/64/357192764.db2.gz GJBZBESDMPRTNN-UHFFFAOYSA-N 0 2 312.329 1.796 20 30 DDEDLN N#CC[C@H]1CCCN(C(=O)c2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000597901143 357377286 /nfs/dbraw/zinc/37/72/86/357377286.db2.gz GVOJJKPOJJKCEE-LLVKDONJSA-N 0 2 312.329 1.796 20 30 DDEDLN Cc1cc(N2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)c(C#N)c[nH+]1 ZINC000600674765 358279103 /nfs/dbraw/zinc/27/91/03/358279103.db2.gz HPZUEMNAHHTKQK-LBPRGKRZSA-N 0 2 312.333 1.393 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H](C)O[C@H]2C)cc1C#N ZINC000601762703 358684129 /nfs/dbraw/zinc/68/41/29/358684129.db2.gz WBFWFHUEDQSUKU-VHSKPIJISA-N 0 2 307.375 1.676 20 30 DDEDLN COc1cccc(S(=O)(=O)Nc2cc(C)n(CCC#N)n2)c1 ZINC000611247720 360679126 /nfs/dbraw/zinc/67/91/26/360679126.db2.gz JEZRMDGNDYVOAF-UHFFFAOYSA-N 0 2 320.374 1.915 20 30 DDEDLN C=CCn1c(=O)c2ccsc2nc1SCc1n[nH]c(=O)[nH]1 ZINC000092869931 407193463 /nfs/dbraw/zinc/19/34/63/407193463.db2.gz GWDUMFUEPVYODW-UHFFFAOYSA-N 0 2 321.387 1.348 20 30 DDEDLN Cn1ncc2c1[nH]cc(C(=O)NCc1cccc(C#N)c1)c2=O ZINC000179418226 407786707 /nfs/dbraw/zinc/78/67/07/407786707.db2.gz FFYICPGNOSWACY-UHFFFAOYSA-N 0 2 307.313 1.476 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccn(CCC#N)n1 ZINC000172592057 407838001 /nfs/dbraw/zinc/83/80/01/407838001.db2.gz BBJMNJUBCGVWMJ-UHFFFAOYSA-N 0 2 315.358 1.778 20 30 DDEDLN COc1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)ncn1 ZINC000181331860 407981498 /nfs/dbraw/zinc/98/14/98/407981498.db2.gz HCNWPOQXRBOUMM-UHFFFAOYSA-N 0 2 324.749 1.811 20 30 DDEDLN N#CCCCNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000274500447 408428921 /nfs/dbraw/zinc/42/89/21/408428921.db2.gz IBSDOHXWAMUBQY-UHFFFAOYSA-N 0 2 314.349 1.487 20 30 DDEDLN CC(C)n1cc(C#N)c(NS(=O)(=O)N2CCC[C@@H](C)C2)n1 ZINC000164006363 408792917 /nfs/dbraw/zinc/79/29/17/408792917.db2.gz BFTPEXIEZBOWBH-LLVKDONJSA-N 0 2 311.411 1.724 20 30 DDEDLN COc1ccc(OC)c(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000319358892 164036513 /nfs/dbraw/zinc/03/65/13/164036513.db2.gz GPFIRFSRHIXKCM-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCO[C@@H]3CCC[C@H]32)cc1C#N ZINC000408251231 164275636 /nfs/dbraw/zinc/27/56/36/164275636.db2.gz XUPGWWSFCUHNLX-VXGBXAGGSA-N 0 2 319.386 1.774 20 30 DDEDLN CC1(C)CCC[C@@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408489977 164347988 /nfs/dbraw/zinc/34/79/88/164347988.db2.gz XQAMDBBJDVTBPU-GFCCVEGCSA-N 0 2 307.375 1.584 20 30 DDEDLN CC[C@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C(C)(C)O ZINC000358608608 410494721 /nfs/dbraw/zinc/49/47/21/410494721.db2.gz MGFOANRMNDYCDT-JTQLQIEISA-N 0 2 309.391 1.660 20 30 DDEDLN CCOC(=O)CCN(C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000358932607 410540761 /nfs/dbraw/zinc/54/07/61/410540761.db2.gz ISBMTKYWXWPABQ-UHFFFAOYSA-N 0 2 323.374 1.406 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1c[nH]nc1-c1ccncc1 ZINC000359728555 410839311 /nfs/dbraw/zinc/83/93/11/410839311.db2.gz XSBHQAMRAMZAIG-UHFFFAOYSA-N 0 2 319.328 2.196 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)CCOC2)o1 ZINC000330836298 410898105 /nfs/dbraw/zinc/89/81/05/410898105.db2.gz KPOJIROFCHCHEC-VIFPVBQESA-N 0 2 310.253 1.151 20 30 DDEDLN C=C(Br)C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367117017 418562308 /nfs/dbraw/zinc/56/23/08/418562308.db2.gz KCHBFSKPJKLEAA-CQSZACIVSA-N 0 2 316.287 1.854 20 30 DDEDLN N#Cc1nc(NC(=O)c2cncc(-c3ccccn3)c2)[nH]c1C#N ZINC000376500444 418698390 /nfs/dbraw/zinc/69/83/90/418698390.db2.gz KXBNRGAKIVERMQ-UHFFFAOYSA-N 0 2 315.296 1.862 20 30 DDEDLN N#CCCN(CCC#N)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000362591489 418756314 /nfs/dbraw/zinc/75/63/14/418756314.db2.gz RDPDNBYWNIGUAT-UHFFFAOYSA-N 0 2 309.329 1.847 20 30 DDEDLN Cc1nc(C(F)(F)F)c(Cn2c(=O)[nH]cc(C#N)c2=O)s1 ZINC000571920856 304495538 /nfs/dbraw/zinc/49/55/38/304495538.db2.gz LYIBITQNIDWTIY-UHFFFAOYSA-N 0 2 316.264 1.240 20 30 DDEDLN CCn1ncc(C#N)c1NS(=O)(=O)C[C@H](CC(C)C)OC ZINC000421247853 419537646 /nfs/dbraw/zinc/53/76/46/419537646.db2.gz JTJGPNXHAAVUOP-LBPRGKRZSA-N 0 2 314.411 1.577 20 30 DDEDLN CCn1ncc(C#N)c1NS(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421247852 419537816 /nfs/dbraw/zinc/53/78/16/419537816.db2.gz JTJGPNXHAAVUOP-GFCCVEGCSA-N 0 2 314.411 1.577 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)NC(=O)/C=C\C2CCCCC2)cn1 ZINC000492688394 420629746 /nfs/dbraw/zinc/62/97/46/420629746.db2.gz JQCWIRWTQPBSOC-TWGQIWQCSA-N 0 2 319.386 1.895 20 30 DDEDLN C=CCCNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000664699817 424685600 /nfs/dbraw/zinc/68/56/00/424685600.db2.gz RYNXDXJNPXPPMJ-UHFFFAOYSA-N 0 2 301.350 1.759 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cncnc2)c([N+](=O)[O-])c1 ZINC000362212666 268208386 /nfs/dbraw/zinc/20/83/86/268208386.db2.gz DQYKNYZEBABUTL-UHFFFAOYSA-N 0 2 305.275 1.057 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1cccc2[nH]c(=O)[nH]c21 ZINC000357336763 268286537 /nfs/dbraw/zinc/28/65/37/268286537.db2.gz WESOEUCYINIOPY-UHFFFAOYSA-N 0 2 314.326 1.941 20 30 DDEDLN N#Cc1ccnc(N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1[N+](=O)[O-] ZINC000373999717 268291133 /nfs/dbraw/zinc/29/11/33/268291133.db2.gz CZYFJUAZCYYFBA-UHFFFAOYSA-N 0 2 315.293 1.069 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(C3CC3)o2)c(F)c1 ZINC000571849626 308204082 /nfs/dbraw/zinc/20/40/82/308204082.db2.gz HVUPRSHVKPZXOJ-UHFFFAOYSA-N 0 2 308.294 1.759 20 30 DDEDLN Cc1c(C(=O)[C@@H](C#N)c2ccncn2)cnn1-c1ccccn1 ZINC000680618343 486244173 /nfs/dbraw/zinc/24/41/73/486244173.db2.gz NTMPKIDQHBOOIY-LBPRGKRZSA-N 0 2 304.313 1.856 20 30 DDEDLN Cc1c(C(=O)C(C#N)c2ccncn2)cnn1-c1ccccn1 ZINC000680618343 486244179 /nfs/dbraw/zinc/24/41/79/486244179.db2.gz NTMPKIDQHBOOIY-LBPRGKRZSA-N 0 2 304.313 1.856 20 30 DDEDLN Cc1nc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)nn1C ZINC000427627182 534494627 /nfs/dbraw/zinc/49/46/27/534494627.db2.gz XYWQKXQMCAQECD-UHFFFAOYSA-N 0 2 311.754 1.449 20 30 DDEDLN Cc1csc([C@H](C#N)C(=O)c2ccc(-c3nn[nH]n3)nc2)n1 ZINC000737456336 599150430 /nfs/dbraw/zinc/15/04/30/599150430.db2.gz DKWNKZXEYNGEBO-SECBINFHSA-N 0 2 311.330 1.517 20 30 DDEDLN Cc1csc(C(C#N)C(=O)c2ccc(-c3nn[nH]n3)nc2)n1 ZINC000737456336 599150432 /nfs/dbraw/zinc/15/04/32/599150432.db2.gz DKWNKZXEYNGEBO-SECBINFHSA-N 0 2 311.330 1.517 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736080850 600003850 /nfs/dbraw/zinc/00/38/50/600003850.db2.gz ZGXUJMFLABAFHK-AWEZNQCLSA-N 0 2 301.346 1.837 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000736080850 600003856 /nfs/dbraw/zinc/00/38/56/600003856.db2.gz ZGXUJMFLABAFHK-AWEZNQCLSA-N 0 2 301.346 1.837 20 30 DDEDLN COc1cc2c(nn1)CC[N@@H+]([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC000832111800 601315848 /nfs/dbraw/zinc/31/58/48/601315848.db2.gz KBURYFLHZNGVPC-MRXNPFEDSA-N 0 2 324.340 1.541 20 30 DDEDLN COc1cc2c(nn1)CC[N@H+]([C@@H](C(=O)[O-])c1cccc(C#N)c1)C2 ZINC000832111800 601315849 /nfs/dbraw/zinc/31/58/49/601315849.db2.gz KBURYFLHZNGVPC-MRXNPFEDSA-N 0 2 324.340 1.541 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000739587377 601982295 /nfs/dbraw/zinc/98/22/95/601982295.db2.gz WMPGPRHRKULVKX-CQSZACIVSA-N 0 2 316.361 1.571 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000739587377 601982297 /nfs/dbraw/zinc/98/22/97/601982297.db2.gz WMPGPRHRKULVKX-CQSZACIVSA-N 0 2 316.361 1.571 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000739588438 602782501 /nfs/dbraw/zinc/78/25/01/602782501.db2.gz YAVCYRRFAKOADU-UONOGXRCSA-N 0 2 316.361 1.159 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000739588438 602782503 /nfs/dbraw/zinc/78/25/03/602782503.db2.gz YAVCYRRFAKOADU-UONOGXRCSA-N 0 2 316.361 1.159 20 30 DDEDLN Cc1oc(NC(=O)C[N@@H+](C)[C@H]2CCN(C(=O)[O-])C2)c(C#N)c1C ZINC000830942643 605473201 /nfs/dbraw/zinc/47/32/01/605473201.db2.gz OULJJLZNIDNICS-NSHDSACASA-N 0 2 320.349 1.391 20 30 DDEDLN Cc1oc(NC(=O)C[N@H+](C)[C@H]2CCN(C(=O)[O-])C2)c(C#N)c1C ZINC000830942643 605473210 /nfs/dbraw/zinc/47/32/10/605473210.db2.gz OULJJLZNIDNICS-NSHDSACASA-N 0 2 320.349 1.391 20 30 DDEDLN CCc1ccc(C=Nn2c(C)cc(C)c(-c3nn[nH]n3)c2=O)o1 ZINC000821482650 607147221 /nfs/dbraw/zinc/14/72/21/607147221.db2.gz UPUFOAKUFJDTFY-UHFFFAOYSA-N 0 2 312.333 1.683 20 30 DDEDLN N#Cc1ccccc1C=CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000773649381 697790506 /nfs/dbraw/zinc/79/05/06/697790506.db2.gz KFWLXLCOTMMSJL-HSBSLETESA-N 0 2 323.356 1.801 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cnn(CC#N)c2)c(C)c1F ZINC000782910134 698783814 /nfs/dbraw/zinc/78/38/14/698783814.db2.gz GHGQNEIVLVAHLI-UHFFFAOYSA-N 0 2 324.337 1.664 20 30 DDEDLN CC(=O)[C@@H]1C[C@H](CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1(C)C ZINC000783113274 698806835 /nfs/dbraw/zinc/80/68/35/698806835.db2.gz VSLLOAULJYPMOH-UPJWGTAASA-N 0 2 315.373 1.953 20 30 DDEDLN CO[C@H](C)c1nsc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000788211693 699291184 /nfs/dbraw/zinc/29/11/84/699291184.db2.gz FVFGKDHZEFHHAI-MRVPVSSYSA-N 0 2 324.387 1.918 20 30 DDEDLN CC(C)C/N=C1/NC(=O)C(CC(=O)Nc2cnccn2)S1 ZINC000730815564 699516529 /nfs/dbraw/zinc/51/65/29/699516529.db2.gz JNDSRFCRGYTTBD-SECBINFHSA-N 0 2 307.379 1.049 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)CN(C)C(=O)C3CC3)nc21 ZINC000759385742 700749404 /nfs/dbraw/zinc/74/94/04/700749404.db2.gz FEQRDOCOHAWAIW-LLVKDONJSA-N 0 2 311.345 1.311 20 30 DDEDLN Cc1csc(C(C#N)C(=O)Cc2nc(C3CC3)nn2C)n1 ZINC000842677509 702754922 /nfs/dbraw/zinc/75/49/22/702754922.db2.gz ATPQYRKKNWAMGI-SNVBAGLBSA-N 0 2 301.375 1.876 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CCC(=O)C2)n1 ZINC000842699540 702758907 /nfs/dbraw/zinc/75/89/07/702758907.db2.gz AMPHAAWIBBUVDZ-SCZZXKLOSA-N 0 2 306.343 1.865 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H]2CCC(=O)C2)n1 ZINC000842699540 702758908 /nfs/dbraw/zinc/75/89/08/702758908.db2.gz AMPHAAWIBBUVDZ-SCZZXKLOSA-N 0 2 306.343 1.865 20 30 DDEDLN C#CCO[C@@H](C)C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000848029076 703497257 /nfs/dbraw/zinc/49/72/57/703497257.db2.gz GHKBGFUAXJAMHU-JTQLQIEISA-N 0 2 300.318 1.463 20 30 DDEDLN Cn1ncc2c1[nH]c(NN=CCCOCC(F)F)nc2=O ZINC000872352390 707387985 /nfs/dbraw/zinc/38/79/85/707387985.db2.gz PIHGPFNRPRNMOT-UHFFFAOYSA-N 0 2 300.269 1.138 20 30 DDEDLN Cn1ncc2c1nc(N=NCCCOCC(F)F)[nH]c2=O ZINC000872352390 707387987 /nfs/dbraw/zinc/38/79/87/707387987.db2.gz PIHGPFNRPRNMOT-UHFFFAOYSA-N 0 2 300.269 1.138 20 30 DDEDLN C[C@H]1CN=C(NN=Cc2cc(Br)cc(F)c2O)N1 ZINC000884447857 708301155 /nfs/dbraw/zinc/30/11/55/708301155.db2.gz LOEDGADEXNUKPN-LURJTMIESA-N 0 2 315.146 1.565 20 30 DDEDLN CC[C@H](C[NH+]1CCOCC1)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000905002961 711908775 /nfs/dbraw/zinc/90/87/75/711908775.db2.gz NAOMWLCUVGKUKA-YDRQLGOLSA-N 0 2 307.350 1.830 20 30 DDEDLN CN(CCN(C)c1ccc(C#N)nn1)C(=O)C(F)C(F)(F)F ZINC001105589497 742134102 /nfs/dbraw/zinc/13/41/02/742134102.db2.gz XLAHGTIUJOXJAK-SNVBAGLBSA-N 0 2 319.262 1.143 20 30 DDEDLN CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@@H](F)C(F)(F)F ZINC001105589497 742134105 /nfs/dbraw/zinc/13/41/05/742134105.db2.gz XLAHGTIUJOXJAK-SNVBAGLBSA-N 0 2 319.262 1.143 20 30 DDEDLN C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)C(F)C(F)(F)F ZINC001076432228 742731223 /nfs/dbraw/zinc/73/12/23/742731223.db2.gz HPNKPFUMMIRILW-KWQFWETISA-N 0 2 308.275 1.311 20 30 DDEDLN C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@H](F)C(F)(F)F ZINC001076432228 742731225 /nfs/dbraw/zinc/73/12/25/742731225.db2.gz HPNKPFUMMIRILW-KWQFWETISA-N 0 2 308.275 1.311 20 30 DDEDLN CC(=O)c1cccc(S(=O)(=O)Nc2cccc(C#N)n2)c1 ZINC001189200241 744842318 /nfs/dbraw/zinc/84/23/18/744842318.db2.gz IKAUVRWWOVMIIJ-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN Cn1ncc(C#N)c1NS(=O)(=O)Cc1noc2ccccc12 ZINC001194050020 746265238 /nfs/dbraw/zinc/26/52/38/746265238.db2.gz NZMHPCCFAZLOLE-UHFFFAOYSA-N 0 2 317.330 1.375 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2cccc(OC)c2C#N)[nH]n1 ZINC001194288679 746343478 /nfs/dbraw/zinc/34/34/78/746343478.db2.gz JYGKNVKDUXQONI-UHFFFAOYSA-N 0 2 300.274 1.329 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2cccc(OC)c2C#N)n[nH]1 ZINC001194288679 746343484 /nfs/dbraw/zinc/34/34/84/746343484.db2.gz JYGKNVKDUXQONI-UHFFFAOYSA-N 0 2 300.274 1.329 20 30 DDEDLN C=C(C)CNC(=O)c1cc(-n2ncc(=O)[nH]c2=O)ccc1Cl ZINC001198002911 747331985 /nfs/dbraw/zinc/33/19/85/747331985.db2.gz VWQUCKDRFYFTTK-UHFFFAOYSA-N 0 2 320.736 1.292 20 30 DDEDLN CCOC(=O)CCNC(=S)Nc1cc(C#N)c(F)cc1O ZINC001200175006 748150572 /nfs/dbraw/zinc/15/05/72/748150572.db2.gz XYMNPBDAMIHOAG-UHFFFAOYSA-N 0 2 311.338 1.643 20 30 DDEDLN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033211535 748942568 /nfs/dbraw/zinc/94/25/68/748942568.db2.gz JZIHIZUBTNULHT-HUUCEWRRSA-N 0 2 302.422 1.554 20 30 DDEDLN N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnn[nH]2)C3)c1 ZINC001095674766 750133150 /nfs/dbraw/zinc/13/31/50/750133150.db2.gz JDDAQEDCZPRUBM-YCPHGPKFSA-N 0 2 322.372 1.212 20 30 DDEDLN N#Cc1cnc(NC/C=C/CNC(=O)C(F)C(F)(F)F)cn1 ZINC001107561815 750139622 /nfs/dbraw/zinc/13/96/22/750139622.db2.gz OKQOJRZSGAVPGK-YOLVWIGZSA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1cnc(NC/C=C/CNC(=O)[C@H](F)C(F)(F)F)cn1 ZINC001107561815 750139624 /nfs/dbraw/zinc/13/96/24/750139624.db2.gz OKQOJRZSGAVPGK-YOLVWIGZSA-N 0 2 317.246 1.333 20 30 DDEDLN C[C@H](CNc1nccnc1C#N)NC(=O)C(F)C(F)(F)F ZINC001108170754 753349293 /nfs/dbraw/zinc/34/92/93/753349293.db2.gz NRLOLDRWXNHESH-HTRCEHHLSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNc1nccnc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001108170754 753349295 /nfs/dbraw/zinc/34/92/95/753349295.db2.gz NRLOLDRWXNHESH-HTRCEHHLSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1(NC(=O)C(F)C(F)(F)F)CCC1 ZINC001064310152 754607680 /nfs/dbraw/zinc/60/76/80/754607680.db2.gz FYEZHUOTUMUMQC-SFYZADRCSA-N 0 2 309.263 1.202 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001064310152 754607684 /nfs/dbraw/zinc/60/76/84/754607684.db2.gz FYEZHUOTUMUMQC-SFYZADRCSA-N 0 2 309.263 1.202 20 30 DDEDLN C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001085036723 758171570 /nfs/dbraw/zinc/17/15/70/758171570.db2.gz GIPZYBMVZXCRPG-ANQUJSFKSA-N 0 2 312.417 1.080 20 30 DDEDLN N#Cc1ccc(N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)nn1 ZINC001056804155 761444342 /nfs/dbraw/zinc/44/43/42/761444342.db2.gz QUMATONCOICVFH-PSASIEDQSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)nn1 ZINC001056804155 761444344 /nfs/dbraw/zinc/44/43/44/761444344.db2.gz QUMATONCOICVFH-PSASIEDQSA-N 0 2 317.246 1.261 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccncc1C#N ZINC001113934850 766426080 /nfs/dbraw/zinc/42/60/80/766426080.db2.gz RPTOFNWFSYAJTQ-KCJUWKMLSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1ccncc1C#N ZINC001113934850 766426084 /nfs/dbraw/zinc/42/60/84/766426084.db2.gz RPTOFNWFSYAJTQ-KCJUWKMLSA-N 0 2 318.274 1.795 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132330445 768758061 /nfs/dbraw/zinc/75/80/61/768758061.db2.gz HKGNNZJNFGIUAQ-RYUDHWBXSA-N 0 2 321.425 1.582 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132330445 768758066 /nfs/dbraw/zinc/75/80/66/768758066.db2.gz HKGNNZJNFGIUAQ-RYUDHWBXSA-N 0 2 321.425 1.582 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H](NC(=O)C(F)C(F)(F)F)C2)cn1 ZINC001096492092 770472362 /nfs/dbraw/zinc/47/23/62/770472362.db2.gz SAHMFTXBQPHBJY-KOLCDFICSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C2)cn1 ZINC001096492092 770472368 /nfs/dbraw/zinc/47/23/68/770472368.db2.gz SAHMFTXBQPHBJY-KOLCDFICSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001097106359 771626068 /nfs/dbraw/zinc/62/60/68/771626068.db2.gz PHDDNWZGBWUABY-ZXFLCMHBSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001097106359 771626071 /nfs/dbraw/zinc/62/60/71/771626071.db2.gz PHDDNWZGBWUABY-ZXFLCMHBSA-N 0 2 317.246 1.308 20 30 DDEDLN CC#CC[NH+]1CCC(CCNC(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001267944309 839235735 /nfs/dbraw/zinc/23/57/35/839235735.db2.gz TZMPEIJAPROLHE-UHFFFAOYSA-N 0 2 304.394 1.279 20 30 DDEDLN CC#CC[NH+]1CCC([C@@H](C)NC(=O)c2n[nH]c(C)c2[O-])CC1 ZINC000997024529 847142407 /nfs/dbraw/zinc/14/24/07/847142407.db2.gz AOHYHZGIPOZXCL-LLVKDONJSA-N 0 2 304.394 1.277 20 30 DDEDLN C#CCN1CC[C@]2(CCCN2Cc2cc(F)c(F)cc2O)C1=O ZINC001273375254 849736979 /nfs/dbraw/zinc/73/69/79/849736979.db2.gz WQUBBKZVFIEZKG-QGZVFWFLSA-N 0 2 320.339 1.871 20 30 DDEDLN C=CCC1(S(=O)(=O)[N-]C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001327559516 862273543 /nfs/dbraw/zinc/27/35/43/862273543.db2.gz ICUVRUAJXZVCRA-UHFFFAOYSA-N 0 2 322.430 1.673 20 30 DDEDLN C=CCC1(S(=O)(=O)[N-]C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001327559516 862273551 /nfs/dbraw/zinc/27/35/51/862273551.db2.gz ICUVRUAJXZVCRA-UHFFFAOYSA-N 0 2 322.430 1.673 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1cncc(C#N)n1 ZINC001095758510 855323010 /nfs/dbraw/zinc/32/30/10/855323010.db2.gz KZVXPKXUDUIACO-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN CN(CCCNC(=O)[C@@H](F)C(F)(F)F)c1cncc(C#N)n1 ZINC001095758510 855323019 /nfs/dbraw/zinc/32/30/19/855323019.db2.gz KZVXPKXUDUIACO-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC001156161915 862763492 /nfs/dbraw/zinc/76/34/92/862763492.db2.gz JEPKGKODXINGFB-CQSZACIVSA-N 0 2 311.389 1.341 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)C(F)F)cc1C(F)(F)F ZINC001259951464 856767247 /nfs/dbraw/zinc/76/72/47/856767247.db2.gz VBGAOGCRUOHGNH-UHFFFAOYSA-N 0 2 301.196 1.936 20 30 DDEDLN N#Cc1ccccc1C[NH+]1CC[C@H](OCC[P@](=O)([O-])O)C1 ZINC001224603428 881466098 /nfs/dbraw/zinc/46/60/98/881466098.db2.gz YIMWGCKHIYFGKD-AWEZNQCLSA-N 0 2 310.290 1.327 20 30 DDEDLN N#Cc1ccccc1C[NH+]1CC[C@H](OCC[P@@](=O)([O-])O)C1 ZINC001224603428 881466107 /nfs/dbraw/zinc/46/61/07/881466107.db2.gz YIMWGCKHIYFGKD-AWEZNQCLSA-N 0 2 310.290 1.327 20 30 DDEDLN N#Cc1ccccc1C[N@H+]1CC[C@H](OCCP(=O)([O-])O)C1 ZINC001224603428 881466116 /nfs/dbraw/zinc/46/61/16/881466116.db2.gz YIMWGCKHIYFGKD-AWEZNQCLSA-N 0 2 310.290 1.327 20 30 DDEDLN N#Cc1ccccc1C[N@@H+]1CC[C@H](OCCP(=O)([O-])O)C1 ZINC001224603428 881466126 /nfs/dbraw/zinc/46/61/26/881466126.db2.gz YIMWGCKHIYFGKD-AWEZNQCLSA-N 0 2 310.290 1.327 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC001361731064 882253823 /nfs/dbraw/zinc/25/38/23/882253823.db2.gz KTWBXIFPAORLDP-UHFFFAOYSA-N 0 2 324.340 1.921 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC[C@H](OC)C1 ZINC001340593103 871216637 /nfs/dbraw/zinc/21/66/37/871216637.db2.gz HDZFUUYJTYFKJD-VIFPVBQESA-N 0 2 323.788 1.518 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCOc2ccccc21 ZINC001344466677 873011837 /nfs/dbraw/zinc/01/18/37/873011837.db2.gz NKEWLEXJFGUQPH-OLZOCXBDSA-N 0 2 309.325 1.878 20 30 DDEDLN C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208511964 874210747 /nfs/dbraw/zinc/21/07/47/874210747.db2.gz PVYQSDXSOWFINQ-UEKVPHQBSA-N 0 2 307.398 1.049 20 30 DDEDLN C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208511964 874210754 /nfs/dbraw/zinc/21/07/54/874210754.db2.gz PVYQSDXSOWFINQ-UEKVPHQBSA-N 0 2 307.398 1.049 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC001362065881 882947492 /nfs/dbraw/zinc/94/74/92/882947492.db2.gz RSOGDXKGDOPAOT-ZDUSSCGKSA-N 0 2 311.345 1.641 20 30 DDEDLN C#C[C@H](C)N(C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC=C ZINC001351545658 876315276 /nfs/dbraw/zinc/31/52/76/876315276.db2.gz XZPSHOJDTWTWEI-NSHDSACASA-N 0 2 300.366 1.511 20 30 DDEDLN CC#CCCCC(=O)N[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001353442916 877333878 /nfs/dbraw/zinc/33/38/78/877333878.db2.gz GKSTWKVQAHAGIH-JQWIXIFHSA-N 0 2 322.302 1.798 20 30 DDEDLN CC#CCCCC(=O)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001353442916 877333866 /nfs/dbraw/zinc/33/38/66/877333866.db2.gz GKSTWKVQAHAGIH-JQWIXIFHSA-N 0 2 322.302 1.798 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC(C)(CNC(=O)c2[nH]ncc2F)CC1 ZINC001379992387 878496372 /nfs/dbraw/zinc/49/63/72/878496372.db2.gz WIGHWUIQDMTSAQ-SNVBAGLBSA-N 0 2 321.356 1.067 20 30 DDEDLN C=C[C@@H](CC(=O)OC(C)(C)C)Oc1[nH]c(=O)nc2ncn(C)c21 ZINC001228677285 883614568 /nfs/dbraw/zinc/61/45/68/883614568.db2.gz ORURHEOGNQKNTL-VIFPVBQESA-N 0 2 320.349 1.734 20 30 DDEDLN N#Cc1ccn2ncc(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)c2c1 ZINC001249086998 893813052 /nfs/dbraw/zinc/81/30/52/893813052.db2.gz UQXATWBKIMMBIK-HNNXBMFYSA-N 0 2 310.382 1.980 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccc(F)cc1Cl ZINC001258919545 898361064 /nfs/dbraw/zinc/36/10/64/898361064.db2.gz WCPYMFBUNJAGET-VIFPVBQESA-N 0 2 320.729 1.213 20 30 DDEDLN Cc1cnn(C2COC2)c1NS(=O)(=O)c1cccc(C#N)c1 ZINC001259118346 898476682 /nfs/dbraw/zinc/47/66/82/898476682.db2.gz FQKWBICQTSNGRJ-UHFFFAOYSA-N 0 2 318.358 1.435 20 30 DDEDLN C=CCS(=O)(=O)Nc1cc(Br)cnc1C#N ZINC001259922897 898935988 /nfs/dbraw/zinc/93/59/88/898935988.db2.gz XPFYEGFKVFHYRR-UHFFFAOYSA-N 0 2 302.153 1.643 20 30 DDEDLN C=CCNC(=O)CNC(=O)N[C@@H]1CCOc2c(CC)cccc21 ZINC000271939628 186410302 /nfs/dbraw/zinc/41/03/02/186410302.db2.gz HDIZACIXWZWBGY-CQSZACIVSA-N 0 2 317.389 1.674 20 30 DDEDLN N#CCCN(CCC#N)C(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000596894075 357009487 /nfs/dbraw/zinc/00/94/87/357009487.db2.gz NPSWLQWQOPTRPV-UHFFFAOYSA-N 0 2 311.301 1.299 20 30 DDEDLN CC(C)Oc1ccc(NS(=O)(=O)c2cnnn2C)cc1C#N ZINC000600653803 358274848 /nfs/dbraw/zinc/27/48/48/358274848.db2.gz PWTKPXLZUBCDKS-UHFFFAOYSA-N 0 2 321.362 1.275 20 30 DDEDLN Cc1nn(C)c(C)c1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619461278 364023933 /nfs/dbraw/zinc/02/39/33/364023933.db2.gz FRJVAJFUECOMEB-UHFFFAOYSA-N 0 2 304.375 1.904 20 30 DDEDLN C=CCOc1ccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000066115303 184390466 /nfs/dbraw/zinc/39/04/66/184390466.db2.gz QTYYEDVPEUTZSQ-AWEZNQCLSA-N 0 2 304.346 1.027 20 30 DDEDLN C=CCOc1ccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])cc1 ZINC000066115303 184390467 /nfs/dbraw/zinc/39/04/67/184390467.db2.gz QTYYEDVPEUTZSQ-AWEZNQCLSA-N 0 2 304.346 1.027 20 30 DDEDLN N#Cc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1F ZINC000569167898 304339461 /nfs/dbraw/zinc/33/94/61/304339461.db2.gz KIDPWCUETNBURH-LBPRGKRZSA-N 0 2 301.325 1.901 20 30 DDEDLN N#Cc1cccc(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1F ZINC000569167898 304339462 /nfs/dbraw/zinc/33/94/62/304339462.db2.gz KIDPWCUETNBURH-LBPRGKRZSA-N 0 2 301.325 1.901 20 30 DDEDLN C[N@H+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)[C@H](C[NH3+])C1 ZINC000579809575 422835033 /nfs/dbraw/zinc/83/50/33/422835033.db2.gz OOKZDUDSOQBSBI-LLVKDONJSA-N 0 2 307.785 1.318 20 30 DDEDLN COc1ccc(SCC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000075555496 406934548 /nfs/dbraw/zinc/93/45/48/406934548.db2.gz XFCYQKIMSZCMHY-UHFFFAOYSA-N 0 2 313.342 1.892 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C#N)C3CC3)=N2)cc1 ZINC000181059506 407951521 /nfs/dbraw/zinc/95/15/21/407951521.db2.gz RPORNZNNMWZRMY-ZDUSSCGKSA-N 0 2 312.329 1.618 20 30 DDEDLN C=CCCS(=O)(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000185209369 408780979 /nfs/dbraw/zinc/78/09/79/408780979.db2.gz WCNCEUFSNYBOEM-UHFFFAOYSA-N 0 2 322.390 1.379 20 30 DDEDLN C#CCONC(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000291243668 408862153 /nfs/dbraw/zinc/86/21/53/408862153.db2.gz LLJOAFFFAIIGJU-LBPRGKRZSA-N 0 2 306.387 1.736 20 30 DDEDLN N#Cc1nc(NC(=O)CCC(=O)c2ccc(F)cc2)[nH]c1C#N ZINC000194151493 163276475 /nfs/dbraw/zinc/27/64/75/163276475.db2.gz BHPAZCGTCHAYEP-UHFFFAOYSA-N 0 2 311.276 1.894 20 30 DDEDLN C=CCN(CCC#N)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000293639037 409151760 /nfs/dbraw/zinc/15/17/60/409151760.db2.gz DHBOYQYTYBSARI-UHFFFAOYSA-N 0 2 313.317 1.286 20 30 DDEDLN CC1(C)CCC[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000408488061 164347271 /nfs/dbraw/zinc/34/72/71/164347271.db2.gz NBKSQXZTLGUSSB-LBPRGKRZSA-N 0 2 321.402 1.975 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cc(O)ccc2C(F)(F)F)c1C#N ZINC000357223754 409949733 /nfs/dbraw/zinc/94/97/33/409949733.db2.gz AHBYASFYFXNPKX-UHFFFAOYSA-N 0 2 310.235 2.567 20 30 DDEDLN C=CCOCC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000355625153 410612933 /nfs/dbraw/zinc/61/29/33/410612933.db2.gz YNOJZQMVQAFVRM-UHFFFAOYSA-N 0 2 305.359 1.777 20 30 DDEDLN COc1nn(C)cc1NS(=O)(=O)c1ccccc1CC#N ZINC000355839165 410693614 /nfs/dbraw/zinc/69/36/14/410693614.db2.gz WXUVLSRNCUHULZ-UHFFFAOYSA-N 0 2 306.347 1.296 20 30 DDEDLN CC(C)(COCC(F)F)C(=O)N=c1[nH][nH]c(C2CC2)c1C#N ZINC000359720180 410836581 /nfs/dbraw/zinc/83/65/81/410836581.db2.gz AQVMIVDHHFLOMS-UHFFFAOYSA-N 0 2 312.320 2.405 20 30 DDEDLN CCc1cnc(CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)o1 ZINC000356250776 410924254 /nfs/dbraw/zinc/92/42/54/410924254.db2.gz HUBPUPDKAAUDOO-UHFFFAOYSA-N 0 2 318.358 1.861 20 30 DDEDLN COCn1nc(C)c(S(=O)(=O)Nc2ccc(C#N)cc2)c1C ZINC000361521274 418669166 /nfs/dbraw/zinc/66/91/66/418669166.db2.gz AJEDNMNQGWOIOJ-UHFFFAOYSA-N 0 2 320.374 1.776 20 30 DDEDLN O=C(C[C@@H]1S/C(=N/C2CCCC2)NC1=O)NCC(F)(F)F ZINC000278221346 222515107 /nfs/dbraw/zinc/51/51/07/222515107.db2.gz JERQBEKHXSKQHR-QMMMGPOBSA-N 0 2 323.340 1.585 20 30 DDEDLN C[C@@H]1CC(=[NH+]C([O-])=C2CCN(c3ccc(Cl)cc3)C2=O)NO1 ZINC000372326751 418856361 /nfs/dbraw/zinc/85/63/61/418856361.db2.gz RYQNGTZWUQIBGF-SKDRFNHKSA-N 0 2 321.764 1.931 20 30 DDEDLN C#CC[N@@H+](C)CCCNC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1 ZINC000491816014 421204263 /nfs/dbraw/zinc/20/42/63/421204263.db2.gz VUSSKUZJFLMHBF-QGZVFWFLSA-N 0 2 323.481 1.195 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)C[C@@H](OC)C1CC1 ZINC000519155736 421682666 /nfs/dbraw/zinc/68/26/66/421682666.db2.gz PAFGIFMJIAFTPW-CQSZACIVSA-N 0 2 310.375 1.734 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000610725180 422471389 /nfs/dbraw/zinc/47/13/89/422471389.db2.gz KXEMSEJSVNNDFV-UHFFFAOYSA-N 0 2 310.316 1.724 20 30 DDEDLN COC(=O)c1cccc(S(=O)(=O)Nc2ncc(C#N)s2)c1 ZINC000610725139 422471396 /nfs/dbraw/zinc/47/13/96/422471396.db2.gz HWFXSKLDZVWDPO-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN C=CC[N@@H+](CCOC)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639608689 423602239 /nfs/dbraw/zinc/60/22/39/423602239.db2.gz MGFRVQGKKRRRBD-GOSISDBHSA-N 0 2 304.434 1.758 20 30 DDEDLN Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cc1C(N)=O ZINC000352860873 269992256 /nfs/dbraw/zinc/99/22/56/269992256.db2.gz ZJBLTJYNQHOUMQ-UHFFFAOYSA-N 0 2 316.342 1.161 20 30 DDEDLN C/C=C/C[C@H](CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000354179655 265555272 /nfs/dbraw/zinc/55/52/72/265555272.db2.gz DQYROMMHYCWCBM-HMDXOVGESA-N 0 2 307.375 1.438 20 30 DDEDLN Cc1onc(CC(=O)N=c2nc(C3(C)CC3)[nH]s2)c1C#N ZINC000529696875 268107124 /nfs/dbraw/zinc/10/71/24/268107124.db2.gz BYFVFIOWGXOBPE-UHFFFAOYSA-N 0 2 303.347 1.361 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cnc3c(c2)COCC3)s1 ZINC000369164532 268208248 /nfs/dbraw/zinc/20/82/48/268208248.db2.gz GPXUVKQPEGYTBS-UHFFFAOYSA-N 0 2 321.383 1.888 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CCC[C@H]2O)cc1C#N ZINC000341790780 271214645 /nfs/dbraw/zinc/21/46/45/271214645.db2.gz PJIUMJDYBKLJEX-GHMZBOCLSA-N 0 2 307.375 1.366 20 30 DDEDLN COc1ccc2c(c1)C=C(C(=O)Nc1nc(C#N)c(C#N)[nH]1)CO2 ZINC000125203517 281203716 /nfs/dbraw/zinc/20/37/16/281203716.db2.gz NENUXHXZHNVQEP-UHFFFAOYSA-N 0 2 321.296 1.576 20 30 DDEDLN N#C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCN1C1CC1 ZINC000364316046 303169174 /nfs/dbraw/zinc/16/91/74/303169174.db2.gz RAMLRWVZEXKKAW-LBPRGKRZSA-N 0 2 316.317 1.113 20 30 DDEDLN C=CCC[C@H](CO)NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000412406309 527472181 /nfs/dbraw/zinc/47/21/81/527472181.db2.gz XXTQHBZEMOKCOO-GFCCVEGCSA-N 0 2 303.318 1.087 20 30 DDEDLN NC(=[NH+]OCc1noc(CCCC(=O)[O-])n1)c1ccc(F)cc1 ZINC000739149920 600282603 /nfs/dbraw/zinc/28/26/03/600282603.db2.gz ZGONCRKATNYOPJ-UHFFFAOYSA-N 0 2 322.296 1.453 20 30 DDEDLN COc1cc(C#N)ccc1OCCn1cc(C(=O)[O-])[nH+]c1C ZINC000831861476 601637278 /nfs/dbraw/zinc/63/72/78/601637278.db2.gz YDMONLDRUZONKO-UHFFFAOYSA-N 0 2 301.302 1.849 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000739583046 601979268 /nfs/dbraw/zinc/97/92/68/601979268.db2.gz FNRWMRULNMSNHC-ZDUSSCGKSA-N 0 2 322.409 1.403 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000739583046 601979269 /nfs/dbraw/zinc/97/92/69/601979269.db2.gz FNRWMRULNMSNHC-ZDUSSCGKSA-N 0 2 322.409 1.403 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000825354133 604606511 /nfs/dbraw/zinc/60/65/11/604606511.db2.gz ZNLSLYJQDXDNGW-IUODEOHRSA-N 0 2 319.361 1.294 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000825354133 604606514 /nfs/dbraw/zinc/60/65/14/604606514.db2.gz ZNLSLYJQDXDNGW-IUODEOHRSA-N 0 2 319.361 1.294 20 30 DDEDLN COc1ncc(C(=O)[C@@H](C#N)c2nc3c(nccc3C)[nH]2)cn1 ZINC000750731101 700243809 /nfs/dbraw/zinc/24/38/09/700243809.db2.gz USLTUAQEKIUXEU-SNVBAGLBSA-N 0 2 308.301 1.555 20 30 DDEDLN CO[C@@H](C)c1nsc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000788213777 699291645 /nfs/dbraw/zinc/29/16/45/699291645.db2.gz MLNJFHWXPRJWJS-QMMMGPOBSA-N 0 2 324.387 1.918 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CCCOC2)n1 ZINC000727958129 699433929 /nfs/dbraw/zinc/43/39/29/699433929.db2.gz YROIZHAEFCFENE-NXEZZACHSA-N 0 2 308.359 1.923 20 30 DDEDLN COC(=O)c1coc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)c1 ZINC000760197443 700797071 /nfs/dbraw/zinc/79/70/71/700797071.db2.gz YHXFJXJOVXHGLM-SNVBAGLBSA-N 0 2 313.269 1.422 20 30 DDEDLN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)C(F)C(F)(F)F ZINC000764416814 700969985 /nfs/dbraw/zinc/96/99/85/700969985.db2.gz ILCBRXICIXGJGH-RNFRBKRXSA-N 0 2 310.213 1.887 20 30 DDEDLN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@@H](F)C(F)(F)F ZINC000764416814 700969987 /nfs/dbraw/zinc/96/99/87/700969987.db2.gz ILCBRXICIXGJGH-RNFRBKRXSA-N 0 2 310.213 1.887 20 30 DDEDLN O=S(=O)(Nc1nccs1)c1ccc(N=NC2COC2)cc1 ZINC000814863372 701760107 /nfs/dbraw/zinc/76/01/07/701760107.db2.gz LPNSRGDOSXQXBM-UHFFFAOYSA-N 0 2 324.387 1.742 20 30 DDEDLN N#CC(C(=O)NCc1ccccc1)=C([O-])c1[nH+]cc2n1CCCC2 ZINC000870135669 703924492 /nfs/dbraw/zinc/92/44/92/703924492.db2.gz BNJSENRKILWXBU-HNNXBMFYSA-N 0 2 322.368 1.858 20 30 DDEDLN N#Cc1cccc(ONC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)c1 ZINC000870690967 704104696 /nfs/dbraw/zinc/10/46/96/704104696.db2.gz XIUWSIKQCUGNIY-ZDUSSCGKSA-N 0 2 323.356 1.700 20 30 DDEDLN CC[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000870690005 704104878 /nfs/dbraw/zinc/10/48/78/704104878.db2.gz HCNSYFSVAIHIHD-HOCLYGCPSA-N 0 2 317.389 1.858 20 30 DDEDLN CC[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000870690005 704104881 /nfs/dbraw/zinc/10/48/81/704104881.db2.gz HCNSYFSVAIHIHD-HOCLYGCPSA-N 0 2 317.389 1.858 20 30 DDEDLN C#CCN(CC)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000858748165 704752428 /nfs/dbraw/zinc/75/24/28/704752428.db2.gz OGNKDGKJNQZMRA-UHFFFAOYSA-N 0 2 302.252 1.553 20 30 DDEDLN C#CCCOC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000859113972 704799466 /nfs/dbraw/zinc/79/94/66/704799466.db2.gz YZPNVMLIFCPEQS-UHFFFAOYSA-N 0 2 300.318 1.633 20 30 DDEDLN C=CCC[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)[O-] ZINC000909081501 712933486 /nfs/dbraw/zinc/93/34/86/712933486.db2.gz DZBZTHWOEMQCGM-OLZOCXBDSA-N 0 2 318.377 1.379 20 30 DDEDLN C=C(C)C[C@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000882895664 707842805 /nfs/dbraw/zinc/84/28/05/707842805.db2.gz RLNMVNSWUQJSCO-GFCCVEGCSA-N 0 2 319.336 1.774 20 30 DDEDLN C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1C ZINC000947919914 719307571 /nfs/dbraw/zinc/30/75/71/719307571.db2.gz AQJODNALASNMAU-GJZGRUSLSA-N 0 2 323.400 1.483 20 30 DDEDLN CCCCCCCCS(=O)(=O)N[C@@H](C#N)C(=O)OCC ZINC001188028927 744652898 /nfs/dbraw/zinc/65/28/98/744652898.db2.gz JUZZWGUKKHRURB-LBPRGKRZSA-N 0 2 304.412 1.722 20 30 DDEDLN N#Cc1ccc(N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cn1 ZINC001059097718 739933931 /nfs/dbraw/zinc/93/39/31/739933931.db2.gz NEWPTMGIBWUERW-WDEREUQCSA-N 0 2 316.258 1.866 20 30 DDEDLN N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)cn1 ZINC001059097718 739933935 /nfs/dbraw/zinc/93/39/35/739933935.db2.gz NEWPTMGIBWUERW-WDEREUQCSA-N 0 2 316.258 1.866 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC=C(C)C)[C@@H]1C ZINC001088631552 742028527 /nfs/dbraw/zinc/02/85/27/742028527.db2.gz RSCRFILYIGVUHA-IKGGRYGDSA-N 0 2 303.450 1.629 20 30 DDEDLN C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849327 744208709 /nfs/dbraw/zinc/20/87/09/744208709.db2.gz NBIHSLHNBVXDAU-MCIONIFRSA-N 0 2 302.422 1.985 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2ccc(C3CC3)cc2)CCC1=O ZINC001190489545 745228368 /nfs/dbraw/zinc/22/83/68/745228368.db2.gz RQUJGMPWFUNKSQ-CYBMUJFWSA-N 0 2 304.371 1.667 20 30 DDEDLN N#Cc1[nH]cnc1NC(=O)c1cnc(-c2ccccn2)[nH]c1=O ZINC001190618557 745260248 /nfs/dbraw/zinc/26/02/48/745260248.db2.gz INJYBIMFJWTNIM-UHFFFAOYSA-N 0 2 307.273 1.091 20 30 DDEDLN Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)[C@H](C)C#N ZINC001193158926 746001881 /nfs/dbraw/zinc/00/18/81/746001881.db2.gz WMGGMORSYYXUJS-SECBINFHSA-N 0 2 302.377 1.052 20 30 DDEDLN CCc1nnc(NS(=O)(=O)c2cc(OC)ccc2C#N)s1 ZINC001193636569 746157213 /nfs/dbraw/zinc/15/72/13/746157213.db2.gz VGKLVZOFLPEAHL-UHFFFAOYSA-N 0 2 324.387 1.782 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2cccnc2OC2COC2)c1O ZINC001193642693 746159891 /nfs/dbraw/zinc/15/98/91/746159891.db2.gz NIZXDTWLCIHRGK-UHFFFAOYSA-N 0 2 311.297 1.689 20 30 DDEDLN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033874573 750007942 /nfs/dbraw/zinc/00/79/42/750007942.db2.gz BFNJQVAHYZQNLX-LSDHHAIUSA-N 0 2 302.422 1.554 20 30 DDEDLN N#CCN1CCC2(C1)CCN(C(=O)C(F)C(F)(F)F)CC2 ZINC001035186871 751287295 /nfs/dbraw/zinc/28/72/95/751287295.db2.gz MOHQISAZZLCLEK-JTQLQIEISA-N 0 2 307.291 1.725 20 30 DDEDLN N#CCN1CCC2(C1)CCN(C(=O)[C@H](F)C(F)(F)F)CC2 ZINC001035186871 751287299 /nfs/dbraw/zinc/28/72/99/751287299.db2.gz MOHQISAZZLCLEK-JTQLQIEISA-N 0 2 307.291 1.725 20 30 DDEDLN CCN(C(=O)C#CC1CC1)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001079741838 755561149 /nfs/dbraw/zinc/56/11/49/755561149.db2.gz XHMHUIBOIABDKY-GFCCVEGCSA-N 0 2 320.286 1.360 20 30 DDEDLN CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001079741838 755561153 /nfs/dbraw/zinc/56/11/53/755561153.db2.gz XHMHUIBOIABDKY-GFCCVEGCSA-N 0 2 320.286 1.360 20 30 DDEDLN C[C@@H](CNc1nccnc1C#N)NC(=O)C(F)C(F)(F)F ZINC001108739691 762897057 /nfs/dbraw/zinc/89/70/57/762897057.db2.gz NRLOLDRWXNHESH-XPUUQOCRSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNc1nccnc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001108739691 762897060 /nfs/dbraw/zinc/89/70/60/762897060.db2.gz NRLOLDRWXNHESH-XPUUQOCRSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001098327425 763526113 /nfs/dbraw/zinc/52/61/13/763526113.db2.gz JEPNSYMHKJLBRG-MUWHJKNJSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001098327425 763526123 /nfs/dbraw/zinc/52/61/23/763526123.db2.gz JEPNSYMHKJLBRG-MUWHJKNJSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccc(C#N)nn1 ZINC001113935211 766426999 /nfs/dbraw/zinc/42/69/99/766426999.db2.gz VUWGUWMCYMPYTD-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1ccc(C#N)nn1 ZINC001113935211 766427011 /nfs/dbraw/zinc/42/70/11/766427011.db2.gz VUWGUWMCYMPYTD-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H](NC(=O)C(F)C(F)(F)F)C2)nc1 ZINC001096490565 770460757 /nfs/dbraw/zinc/46/07/57/770460757.db2.gz BNAWYCULKTZGJK-MWLCHTKSSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2)nc1 ZINC001096490565 770460760 /nfs/dbraw/zinc/46/07/60/770460760.db2.gz BNAWYCULKTZGJK-MWLCHTKSSA-N 0 2 316.258 1.549 20 30 DDEDLN CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1[nH]nc(C)c1[O-] ZINC001049423788 770813042 /nfs/dbraw/zinc/81/30/42/770813042.db2.gz WGOKAUPXXCWMQI-QWHCGFSZSA-N 0 2 302.378 1.126 20 30 DDEDLN CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1[nH]nc(C)c1[O-] ZINC001049423788 770813051 /nfs/dbraw/zinc/81/30/51/770813051.db2.gz WGOKAUPXXCWMQI-QWHCGFSZSA-N 0 2 302.378 1.126 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)nc1 ZINC001097106726 771626808 /nfs/dbraw/zinc/62/68/08/771626808.db2.gz WLKWFKWWOFHAGI-FXPVBKGRSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2)nc1 ZINC001097106726 771626810 /nfs/dbraw/zinc/62/68/10/771626810.db2.gz WLKWFKWWOFHAGI-FXPVBKGRSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1cc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)co1 ZINC001136073055 771863854 /nfs/dbraw/zinc/86/38/54/771863854.db2.gz QFIUZKGTYKPTKV-UHFFFAOYSA-N 0 2 302.290 1.051 20 30 DDEDLN N#Cc1ccc(NCCCNC(=O)C(F)C(F)(F)F)nn1 ZINC001094845760 776465810 /nfs/dbraw/zinc/46/58/10/776465810.db2.gz GNTDRHBNVXYOSF-SECBINFHSA-N 0 2 305.235 1.167 20 30 DDEDLN N#Cc1ccc(NCCCNC(=O)[C@@H](F)C(F)(F)F)nn1 ZINC001094845760 776465814 /nfs/dbraw/zinc/46/58/14/776465814.db2.gz GNTDRHBNVXYOSF-SECBINFHSA-N 0 2 305.235 1.167 20 30 DDEDLN N#Cc1nc(N)c(Nc2c(F)cc(F)c(O)c2F)nc1C#N ZINC001176663596 778202351 /nfs/dbraw/zinc/20/23/51/778202351.db2.gz GGPPFOSCYFLLAY-UHFFFAOYSA-N 0 2 306.207 1.669 20 30 DDEDLN CC[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001103340393 778800190 /nfs/dbraw/zinc/80/01/90/778800190.db2.gz CBBXQSUXKDZTQX-CBAPKCEASA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001103340393 778800192 /nfs/dbraw/zinc/80/01/92/778800192.db2.gz CBBXQSUXKDZTQX-CBAPKCEASA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001103340915 778801313 /nfs/dbraw/zinc/80/13/13/778801313.db2.gz OYJCWMWXGRBGCV-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001103340915 778801317 /nfs/dbraw/zinc/80/13/17/778801317.db2.gz OYJCWMWXGRBGCV-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN O=C(C=Cc1ccc(F)cc1)C(=O)NCCc1n[nH]c(=S)o1 ZINC001154900727 861550799 /nfs/dbraw/zinc/55/07/99/861550799.db2.gz HZOAMBLUSRCWMG-ZZXKWVIFSA-N 0 2 321.333 1.439 20 30 DDEDLN N#CCSCC(=O)Nc1nccc(Br)c1O ZINC001150025513 862031765 /nfs/dbraw/zinc/03/17/65/862031765.db2.gz PPSGQWWICRUBGH-UHFFFAOYSA-N 0 2 302.153 1.745 20 30 DDEDLN N#C[C@H](C(=O)[C@@H]1COCCN1CC(F)F)c1cccc(F)n1 ZINC001122722966 858948289 /nfs/dbraw/zinc/94/82/89/858948289.db2.gz JVUYQLASPUQGQI-ONGXEEELSA-N 0 2 313.279 1.363 20 30 DDEDLN COc1ccc(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c(C)c1 ZINC001122813591 858977743 /nfs/dbraw/zinc/97/77/43/858977743.db2.gz LDSKXETYASIIEE-AWEZNQCLSA-N 0 2 311.341 1.871 20 30 DDEDLN C=CCOc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)cc1 ZINC001163273238 868292891 /nfs/dbraw/zinc/29/28/91/868292891.db2.gz MUFRHKBBUQOHQY-UHFFFAOYSA-N 0 2 312.329 1.122 20 30 DDEDLN C=CCn1cc2ccc(NC(=O)NCc3n[nH]c(=O)[nH]3)cc2n1 ZINC001311237787 871686584 /nfs/dbraw/zinc/68/65/84/871686584.db2.gz OCHZBLVGHDOCTL-UHFFFAOYSA-N 0 2 313.321 1.368 20 30 DDEDLN N#CCCN1CC(Oc2ncnc3[nH]nc(Br)c32)C1 ZINC001226668842 882574425 /nfs/dbraw/zinc/57/44/25/882574425.db2.gz ICAYDTNLDKHCSI-UHFFFAOYSA-N 0 2 323.154 1.092 20 30 DDEDLN C=CC[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C(=O)[O-] ZINC001350760233 875874385 /nfs/dbraw/zinc/87/43/85/875874385.db2.gz WMHAVRUCNPWQCD-ZDUSSCGKSA-N 0 2 318.377 1.510 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@@H](COC)C1 ZINC001356152707 878891302 /nfs/dbraw/zinc/89/13/02/878891302.db2.gz KQQKENLUUFVODK-SECBINFHSA-N 0 2 323.788 1.375 20 30 DDEDLN COc1ccc(OC)c(/C(=N/O)O[C@@H](C[N+](=O)[O-])C2CC2)c1 ZINC001223892984 881136228 /nfs/dbraw/zinc/13/62/28/881136228.db2.gz OLVOEQWALSUTGI-YCPJBFQXSA-N 0 2 310.306 1.912 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cc(C(F)(F)F)[nH]n1 ZINC001362519141 883992765 /nfs/dbraw/zinc/99/27/65/883992765.db2.gz XCQQDDNKLNRMPU-UHFFFAOYSA-N 0 2 311.223 1.962 20 30 DDEDLN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)C(F)C(F)(F)F ZINC001386732856 891589492 /nfs/dbraw/zinc/58/94/92/891589492.db2.gz XCGXZCMVRUGKMB-MUWHJKNJSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@H](F)C(F)(F)F ZINC001386732856 891589506 /nfs/dbraw/zinc/58/95/06/891589506.db2.gz XCGXZCMVRUGKMB-MUWHJKNJSA-N 0 2 320.246 1.021 20 30 DDEDLN C#Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2OC)ccn1 ZINC001258931550 898366309 /nfs/dbraw/zinc/36/63/09/898366309.db2.gz WLMMRNDKYCDZEZ-UHFFFAOYSA-N 0 2 322.773 1.948 20 30 DDEDLN COc1cc(C)ccc1S(=O)(=O)Nc1cn(C)nc1C#N ZINC001259197593 898525389 /nfs/dbraw/zinc/52/53/89/898525389.db2.gz CGOFZOCVMOIUOJ-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN Cn1cc(S(=O)(=O)Nc2ccc3nc(C#N)sc3c2)cn1 ZINC001259826523 898836198 /nfs/dbraw/zinc/83/61/98/898836198.db2.gz XRHXUIKZRDNMQP-UHFFFAOYSA-N 0 2 319.371 1.702 20 30 DDEDLN COc1nc(C)cnc1NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260038369 899023303 /nfs/dbraw/zinc/02/33/03/899023303.db2.gz CGYAFWRNXDXTTN-UHFFFAOYSA-N 0 2 318.358 1.607 20 30 DDEDLN COc1cc(C)c(C)cc1S(=O)(=O)Nc1cn(C)nc1C#N ZINC001260765787 899258704 /nfs/dbraw/zinc/25/87/04/899258704.db2.gz TXWVQSZEEWYCMM-UHFFFAOYSA-N 0 2 320.374 1.718 20 30 DDEDLN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2=NC(=O)CN2)c1 ZINC000050222956 352565151 /nfs/dbraw/zinc/56/51/51/352565151.db2.gz SKEUACQSAPOKRR-KCJUWKMLSA-N 0 2 300.318 1.072 20 30 DDEDLN C[C@H](C#N)CNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000185642471 354281840 /nfs/dbraw/zinc/28/18/40/354281840.db2.gz AKBVAKDVONCNQA-LLVKDONJSA-N 0 2 314.349 1.343 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ncn(C(C)C)n1 ZINC000593283602 355844364 /nfs/dbraw/zinc/84/43/64/355844364.db2.gz JJRLJYCTZCDWQZ-UHFFFAOYSA-N 0 2 305.363 1.840 20 30 DDEDLN CC(C)(NC(=O)CSc1n[nH]c(=O)[nH]1)c1cccc(C#N)c1 ZINC000597956003 357398255 /nfs/dbraw/zinc/39/82/55/357398255.db2.gz QSWFOSVMXRKFCI-UHFFFAOYSA-N 0 2 317.374 1.526 20 30 DDEDLN C=CCN(CCc1ccccc1)C(=O)CSc1n[nH]c(=O)[nH]1 ZINC000187036871 200050445 /nfs/dbraw/zinc/05/04/45/200050445.db2.gz LVUNSAIANDCYMH-UHFFFAOYSA-N 0 2 318.402 1.447 20 30 DDEDLN N#CCCN1CCN(Cc2nc(=O)c3sccc3[nH]2)CC1 ZINC000603580760 359662233 /nfs/dbraw/zinc/66/22/33/359662233.db2.gz OBMTYSHIKFEECL-UHFFFAOYSA-N 0 2 303.391 1.428 20 30 DDEDLN N#CCN1CCC[C@@H](CNC(=O)c2c(O)cc(F)cc2F)C1 ZINC000610486133 360448506 /nfs/dbraw/zinc/44/85/06/360448506.db2.gz RENNIOVNKCEWDP-JTQLQIEISA-N 0 2 309.316 1.636 20 30 DDEDLN N#Cc1nc(NC(=O)COc2ccccc2Cl)[nH]c1C#N ZINC000026273234 248183573 /nfs/dbraw/zinc/18/35/73/248183573.db2.gz NHTPGNMDBLENPW-UHFFFAOYSA-N 0 2 301.693 1.824 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@H](C)OC[C@H]2C)cc1C#N ZINC000074523541 406914744 /nfs/dbraw/zinc/91/47/44/406914744.db2.gz ARYATEFOMFZQBZ-BDAKNGLRSA-N 0 2 307.375 1.630 20 30 DDEDLN C=C[C@H](CC(=O)NCCCc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000089505730 407138089 /nfs/dbraw/zinc/13/80/89/407138089.db2.gz QQGMZHFXSMUFPI-GFCCVEGCSA-N 0 2 300.362 1.507 20 30 DDEDLN CCOc1ncc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1Cl ZINC000112392996 407428201 /nfs/dbraw/zinc/42/82/01/407428201.db2.gz DLAUCVIWUKSVNY-UHFFFAOYSA-N 0 2 316.708 1.852 20 30 DDEDLN C=CC[C@H](CO)NC(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000185810314 407507679 /nfs/dbraw/zinc/50/76/79/407507679.db2.gz WVVAYWMCFOSHSH-GFCCVEGCSA-N 0 2 319.336 1.692 20 30 DDEDLN COC(=O)N1CCC(/N=C\c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000122264788 408272594 /nfs/dbraw/zinc/27/25/94/408272594.db2.gz JJKOYTWZEGPGKD-DHDCSXOGSA-N 0 2 307.306 1.950 20 30 DDEDLN C=CCN1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000281583405 408892350 /nfs/dbraw/zinc/89/23/50/408892350.db2.gz BRHQROJBZZTGQU-GFCCVEGCSA-N 0 2 319.317 1.159 20 30 DDEDLN C[C@H]1CCN(S(=O)(=O)Nc2nn(C(C)(C)C)cc2C#N)C1 ZINC000408138684 164240233 /nfs/dbraw/zinc/24/02/33/164240233.db2.gz MUQBZMYDEDJVCE-JTQLQIEISA-N 0 2 311.411 1.508 20 30 DDEDLN C=C[C@H](CO)NC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000350553766 409961978 /nfs/dbraw/zinc/96/19/78/409961978.db2.gz IGCSYQCTFBMANH-SNVBAGLBSA-N 0 2 320.374 1.304 20 30 DDEDLN CNc1ccc(C#N)cc1NS(=O)(=O)c1cncc(OC)c1 ZINC000350972756 410021878 /nfs/dbraw/zinc/02/18/78/410021878.db2.gz UDHVPBFJACPIFP-UHFFFAOYSA-N 0 2 318.358 1.804 20 30 DDEDLN Cc1nn(C)cc1[C@H](C)[NH+]=C([O-])N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000329545364 410354620 /nfs/dbraw/zinc/35/46/20/410354620.db2.gz GPCOTZAYJXESJR-ONGXEEELSA-N 0 2 302.382 1.574 20 30 DDEDLN C=C(C)Cn1c(C(=O)NC(C)C)n[n-]c1=[NH+]c1c(C)n[nH]c1C ZINC000358950290 410539951 /nfs/dbraw/zinc/53/99/51/410539951.db2.gz IAZGNIXERNNDDU-UHFFFAOYSA-N 0 2 317.397 2.076 20 30 DDEDLN Cn1ncc2c1[nH]cc(C(=O)N1CCC(F)(C#N)CC1)c2=O ZINC000359389965 410634160 /nfs/dbraw/zinc/63/41/60/410634160.db2.gz OMQNRMXOBQYCPR-UHFFFAOYSA-N 0 2 303.297 1.142 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](CO)CC(C)C)cc1C#N ZINC000359651420 410796234 /nfs/dbraw/zinc/79/62/34/410796234.db2.gz ZIMIWYKFOSMVRW-JTQLQIEISA-N 0 2 309.391 1.518 20 30 DDEDLN COc1cc(C(=O)C(C#N)c2cnc3ccccc3n2)nn1C ZINC000361542880 418674441 /nfs/dbraw/zinc/67/44/41/418674441.db2.gz IDYAVTCAWIMQHJ-SNVBAGLBSA-N 0 2 307.313 1.862 20 30 DDEDLN C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000362515343 418754982 /nfs/dbraw/zinc/75/49/82/418754982.db2.gz GEQTXCWJCPBRHG-STQMWFEESA-N 0 2 315.329 1.950 20 30 DDEDLN N#CCN1CCC[C@@H](CNC(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000436540368 420339659 /nfs/dbraw/zinc/33/96/59/420339659.db2.gz YTKVVPRQOMZMOJ-JTQLQIEISA-N 0 2 309.316 1.636 20 30 DDEDLN COC(=O)c1cc(NS(=O)(=O)c2ccccc2C#N)cn1C ZINC000439563641 420524358 /nfs/dbraw/zinc/52/43/58/420524358.db2.gz BSTLMHSLHRXJRC-UHFFFAOYSA-N 0 2 319.342 1.484 20 30 DDEDLN N#Cc1cccc(C=CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000492820282 420676412 /nfs/dbraw/zinc/67/64/12/420676412.db2.gz AWNAXUMTUFNZCL-PSKZRQQASA-N 0 2 323.356 1.801 20 30 DDEDLN CCn1nccc1S(=O)(=O)Nc1cc(C#N)ccc1OC ZINC000471925311 420957323 /nfs/dbraw/zinc/95/73/23/420957323.db2.gz RAYMFFGTQYVPTD-UHFFFAOYSA-N 0 2 306.347 1.584 20 30 DDEDLN C=C(C)CS(=O)(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000655662142 424617323 /nfs/dbraw/zinc/61/73/23/424617323.db2.gz NZDQNXGZYQDVEG-UWVGGRQHSA-N 0 2 301.330 1.982 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cnc3c(c2)COCC3)cn1 ZINC000371488356 268207732 /nfs/dbraw/zinc/20/77/32/268207732.db2.gz KJMONWMTFMMUPU-UHFFFAOYSA-N 0 2 316.342 1.222 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCO[C@H](C)[C@@H]2C)cc1C#N ZINC000150907076 281658186 /nfs/dbraw/zinc/65/81/86/281658186.db2.gz IWDNTHKNSIPGJR-DTWKUNHWSA-N 0 2 307.375 1.218 20 30 DDEDLN Cc1cc(C(=O)N[C@]2(C#N)CC2(C)C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000291424575 301149524 /nfs/dbraw/zinc/14/95/24/301149524.db2.gz LALCFTOPKCWHDA-HNNXBMFYSA-N 0 2 313.317 1.167 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2nnc(C3CC3)s2)cc1C#N ZINC000562628032 303879670 /nfs/dbraw/zinc/87/96/70/303879670.db2.gz MAXMQOPTVPXTGO-UHFFFAOYSA-N 0 2 321.387 1.791 20 30 DDEDLN C=CCn1cccc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000570046662 332706284 /nfs/dbraw/zinc/70/62/84/332706284.db2.gz HMJCQIKSORKVEK-UHFFFAOYSA-N 0 2 301.350 1.518 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000827882598 603847437 /nfs/dbraw/zinc/84/74/37/603847437.db2.gz PNUGYUIWLCPYEE-CYBMUJFWSA-N 0 2 302.334 1.181 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000827882598 603847438 /nfs/dbraw/zinc/84/74/38/603847438.db2.gz PNUGYUIWLCPYEE-CYBMUJFWSA-N 0 2 302.334 1.181 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](NC(=O)[O-])C3)C2=O)cc1 ZINC000740316473 605911464 /nfs/dbraw/zinc/91/14/64/605911464.db2.gz YMPUYHFUYJWOLW-GXTWGEPZSA-N 0 2 314.345 1.005 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](NC(=O)[O-])C3)C2=O)cc1 ZINC000740316473 605911467 /nfs/dbraw/zinc/91/14/67/605911467.db2.gz YMPUYHFUYJWOLW-GXTWGEPZSA-N 0 2 314.345 1.005 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)c1ccn(C2CCCC2)n1 ZINC000122743154 696724586 /nfs/dbraw/zinc/72/45/86/696724586.db2.gz GZSNLVBBZQLODZ-LBPRGKRZSA-N 0 2 311.345 1.937 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCc1ccc(C#N)cc1 ZINC000122976067 696727252 /nfs/dbraw/zinc/72/72/52/696727252.db2.gz JIFINNYADZAASD-CQSZACIVSA-N 0 2 306.325 1.816 20 30 DDEDLN CSc1ccccc1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC000780383722 698513655 /nfs/dbraw/zinc/51/36/55/698513655.db2.gz VNNONDMRVGLKAU-UHFFFAOYSA-N 0 2 308.388 1.929 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000789401032 699384308 /nfs/dbraw/zinc/38/43/08/699384308.db2.gz XDDQVWBLRQMSLO-CHWSQXEVSA-N 0 2 307.309 1.682 20 30 DDEDLN C=CCN(Cc1ccccc1)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000730525779 699511792 /nfs/dbraw/zinc/51/17/92/699511792.db2.gz ZDOAILXGOBEGJU-UHFFFAOYSA-N 0 2 323.356 1.286 20 30 DDEDLN N#CC(C(=O)Cn1cnc([N+](=O)[O-])n1)c1nccc2ccccc21 ZINC000792103319 699675337 /nfs/dbraw/zinc/67/53/37/699675337.db2.gz JSHLQAGEOPAKKJ-GFCCVEGCSA-N 0 2 322.284 1.611 20 30 DDEDLN N#C[C@H](C(=O)Cn1cnc([N+](=O)[O-])n1)c1nccc2ccccc21 ZINC000792103319 699675339 /nfs/dbraw/zinc/67/53/39/699675339.db2.gz JSHLQAGEOPAKKJ-GFCCVEGCSA-N 0 2 322.284 1.611 20 30 DDEDLN C#Cc1cccc(N(CC)C(=O)CC2SC(=N)NC2=O)c1 ZINC000742634383 699884381 /nfs/dbraw/zinc/88/43/81/699884381.db2.gz OBNRRWUMPZKJEL-GFCCVEGCSA-N 0 2 301.371 1.577 20 30 DDEDLN N#C[C@H](C(=O)[C@H]1COCCN1CC(F)(F)F)c1ccccn1 ZINC000796782002 699952413 /nfs/dbraw/zinc/95/24/13/699952413.db2.gz OJJOQGIANQVHKR-CMPLNLGQSA-N 0 2 313.279 1.521 20 30 DDEDLN COC[C@H](C#N)OC(=O)c1nn(-c2ccc(F)cc2F)cc1O ZINC000801413784 700305323 /nfs/dbraw/zinc/30/53/23/700305323.db2.gz ITPPPIIIQBCBNG-VIFPVBQESA-N 0 2 323.255 1.551 20 30 DDEDLN C#CCCC[C@H](C)OC(=O)Cc1c(C)nc2cc[nH]n2c1=O ZINC000847862817 703478652 /nfs/dbraw/zinc/47/86/52/703478652.db2.gz TXBDLXFTESLDIV-NSHDSACASA-N 0 2 301.346 1.609 20 30 DDEDLN N#Cc1c[nH]c(=O)n(C[C@@H]2CCC[C@H](c3ccccc3)O2)c1=O ZINC000882178367 707527658 /nfs/dbraw/zinc/52/76/58/707527658.db2.gz GTZSBYFPPJZKQC-LSDHHAIUSA-N 0 2 311.341 1.719 20 30 DDEDLN Cc1cc(O)c(C(=O)C=Cc2cccc3c2CCOC3)c(=O)o1 ZINC000901417638 710033271 /nfs/dbraw/zinc/03/32/71/710033271.db2.gz RHNCHMGRFBJXJV-FUTAKVPZSA-N 0 2 312.321 1.988 20 30 DDEDLN C=C1CC(C)(C(=O)N(C)C2CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000955260694 715707867 /nfs/dbraw/zinc/70/78/67/715707867.db2.gz QNVIHTCFIPDAGG-JTQLQIEISA-N 0 2 322.302 1.912 20 30 DDEDLN C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC000955260694 715707869 /nfs/dbraw/zinc/70/78/69/715707869.db2.gz QNVIHTCFIPDAGG-JTQLQIEISA-N 0 2 322.302 1.912 20 30 DDEDLN C=C1CCC(C(=O)N[C@@H](C)C2CN(Cc3n[nH]c(=O)[nH]3)C2)CC1 ZINC000970375986 720735311 /nfs/dbraw/zinc/73/53/11/720735311.db2.gz JNAQDABZXIOKFL-NSHDSACASA-N 0 2 319.409 1.193 20 30 DDEDLN C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]nnc1-c1ccccc1 ZINC001024817771 736111438 /nfs/dbraw/zinc/11/14/38/736111438.db2.gz HDBNAKYKJOAMQG-HNNXBMFYSA-N 0 2 323.400 1.689 20 30 DDEDLN C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nnc1-c1ccccc1 ZINC001024817771 736111440 /nfs/dbraw/zinc/11/14/40/736111440.db2.gz HDBNAKYKJOAMQG-HNNXBMFYSA-N 0 2 323.400 1.689 20 30 DDEDLN C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1[nH]nc(C)c1[O-] ZINC001025220238 736370329 /nfs/dbraw/zinc/37/03/29/736370329.db2.gz CKZBYRSLNLITEL-ZIAGYGMSSA-N 0 2 316.405 1.516 20 30 DDEDLN C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1[nH]nc(C)c1[O-] ZINC001025220238 736370334 /nfs/dbraw/zinc/37/03/34/736370334.db2.gz CKZBYRSLNLITEL-ZIAGYGMSSA-N 0 2 316.405 1.516 20 30 DDEDLN C[C@H](CNc1ccncc1C#N)N(C)C(=O)C(F)C(F)(F)F ZINC001104847137 737276927 /nfs/dbraw/zinc/27/69/27/737276927.db2.gz DHSORKBKGSFKON-LDYMZIIASA-N 0 2 318.274 1.534 20 30 DDEDLN C[C@H](CNc1ccncc1C#N)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001104847137 737276929 /nfs/dbraw/zinc/27/69/29/737276929.db2.gz DHSORKBKGSFKON-LDYMZIIASA-N 0 2 318.274 1.534 20 30 DDEDLN C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)C(F)C(F)(F)F ZINC001104847860 737278595 /nfs/dbraw/zinc/27/85/95/737278595.db2.gz OXMYVCFTFGCVMH-XVKPBYJWSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001104847860 737278600 /nfs/dbraw/zinc/27/86/00/737278600.db2.gz OXMYVCFTFGCVMH-XVKPBYJWSA-N 0 2 319.262 1.507 20 30 DDEDLN CN(CCNc1ccncc1C#N)C(=O)C(F)C(F)(F)F ZINC001102002827 742209848 /nfs/dbraw/zinc/20/98/48/742209848.db2.gz BXMPCGDKMFJAAB-SNVBAGLBSA-N 0 2 304.247 1.146 20 30 DDEDLN CN(CCNc1ccncc1C#N)C(=O)[C@@H](F)C(F)(F)F ZINC001102002827 742209852 /nfs/dbraw/zinc/20/98/52/742209852.db2.gz BXMPCGDKMFJAAB-SNVBAGLBSA-N 0 2 304.247 1.146 20 30 DDEDLN CC(=O)Nc1ccc(NC(=O)C(CO)C(F)(F)F)cc1C#N ZINC001183284271 743819173 /nfs/dbraw/zinc/81/91/73/743819173.db2.gz KRABQKSEUPQWDG-SNVBAGLBSA-N 0 2 315.251 1.626 20 30 DDEDLN CC(=O)Nc1ccc(NC(=O)[C@@H](CO)C(F)(F)F)cc1C#N ZINC001183284271 743819177 /nfs/dbraw/zinc/81/91/77/743819177.db2.gz KRABQKSEUPQWDG-SNVBAGLBSA-N 0 2 315.251 1.626 20 30 DDEDLN N#Cc1ccc(NC2(CNC(=O)C(F)C(F)(F)F)CC2)nc1 ZINC001110375335 744340775 /nfs/dbraw/zinc/34/07/75/744340775.db2.gz FHLAFQXUZQIYCV-SNVBAGLBSA-N 0 2 316.258 1.914 20 30 DDEDLN N#Cc1ccc(NC2(CNC(=O)[C@@H](F)C(F)(F)F)CC2)nc1 ZINC001110375335 744340776 /nfs/dbraw/zinc/34/07/76/744340776.db2.gz FHLAFQXUZQIYCV-SNVBAGLBSA-N 0 2 316.258 1.914 20 30 DDEDLN Cc1oncc1S(=O)(=O)Nc1ccc(C(C)(C)C#N)nc1 ZINC001187334775 744542434 /nfs/dbraw/zinc/54/24/34/744542434.db2.gz USCVRDOXYDFQDW-UHFFFAOYSA-N 0 2 306.347 1.980 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C ZINC000993216306 745865959 /nfs/dbraw/zinc/86/59/59/745865959.db2.gz HDZVXKBMSHMGBY-MNOVXSKESA-N 0 2 312.801 1.759 20 30 DDEDLN C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C ZINC000993216306 745865963 /nfs/dbraw/zinc/86/59/63/745865963.db2.gz HDZVXKBMSHMGBY-MNOVXSKESA-N 0 2 312.801 1.759 20 30 DDEDLN COc1cc(OC)c(OC)cc1NS(=O)(=O)[C@H](C)C#N ZINC001193148945 745997059 /nfs/dbraw/zinc/99/70/59/745997059.db2.gz HXSHZIOLWAKPTF-MRVPVSSYSA-N 0 2 300.336 1.366 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2cncc(OC)c2)c1 ZINC001193645189 746161041 /nfs/dbraw/zinc/16/10/41/746161041.db2.gz YOFYKRGOSNZLCS-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN COc1cc(C)c(S(=O)(=O)Nc2cnn(C)c2C#N)c(C)c1 ZINC001196857254 746992482 /nfs/dbraw/zinc/99/24/82/746992482.db2.gz GQGRRJFSFKAZMC-UHFFFAOYSA-N 0 2 320.374 1.718 20 30 DDEDLN C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206825 748920121 /nfs/dbraw/zinc/92/01/21/748920121.db2.gz JPGKWQTYLRUDLQ-LSDHHAIUSA-N 0 2 300.406 1.002 20 30 DDEDLN C=CCCC(=O)N(CC)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001079472142 755367450 /nfs/dbraw/zinc/36/74/50/755367450.db2.gz IYSOIGAMZLPCEG-NSHDSACASA-N 0 2 310.291 1.912 20 30 DDEDLN C=CCCC(=O)N(CC)C1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001079472142 755367457 /nfs/dbraw/zinc/36/74/57/755367457.db2.gz IYSOIGAMZLPCEG-NSHDSACASA-N 0 2 310.291 1.912 20 30 DDEDLN C=C1CCC(C(=O)N(C)C[C@@H]2CCN2Cc2n[nH]c(=O)[nH]2)CC1 ZINC001085800713 760270887 /nfs/dbraw/zinc/27/08/87/760270887.db2.gz APBVZPYJXKXLPB-ZDUSSCGKSA-N 0 2 319.409 1.289 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001121615205 782593608 /nfs/dbraw/zinc/59/36/08/782593608.db2.gz HQHAXIJCOQVJPB-DTORHVGOSA-N 0 2 323.788 1.516 20 30 DDEDLN Cc1ccc(C#N)c(NCCNC(=O)C(F)C(F)(F)F)n1 ZINC001094182853 775518560 /nfs/dbraw/zinc/51/85/60/775518560.db2.gz QMHYXYZWJRBIRF-VIFPVBQESA-N 0 2 304.247 1.690 20 30 DDEDLN Cc1ccc(C#N)c(NCCNC(=O)[C@H](F)C(F)(F)F)n1 ZINC001094182853 775518570 /nfs/dbraw/zinc/51/85/70/775518570.db2.gz QMHYXYZWJRBIRF-VIFPVBQESA-N 0 2 304.247 1.690 20 30 DDEDLN COc1ncccc1NS(=O)(=O)c1cc(C#N)ccc1F ZINC001190608485 851139046 /nfs/dbraw/zinc/13/90/46/851139046.db2.gz RXIYNTQLNRLHJQ-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN CC#CC[N@H+](C)CCN(C(=O)[C@H](C)CN1CCOCC1)C(C)C ZINC001332740265 866109047 /nfs/dbraw/zinc/10/90/47/866109047.db2.gz GKFDYBYKBLXCJZ-QGZVFWFLSA-N 0 2 323.481 1.147 20 30 DDEDLN C=CC[C@@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)C(=O)OC ZINC001333393953 866703885 /nfs/dbraw/zinc/70/38/85/866703885.db2.gz RNQYCYKRCMCNRT-SSDOTTSWSA-N 0 2 311.256 1.104 20 30 DDEDLN C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001381608796 882312033 /nfs/dbraw/zinc/31/20/33/882312033.db2.gz ZRWFUZQVOQXABB-ZDUSSCGKSA-N 0 2 311.389 1.461 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N(C)[C@H](C)CC#N ZINC001339091462 870341943 /nfs/dbraw/zinc/34/19/43/870341943.db2.gz URMBNRRGSLPODO-MRVPVSSYSA-N 0 2 306.761 1.641 20 30 DDEDLN C[C@H](C#N)C(=O)N1CC=C(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001339499974 870528503 /nfs/dbraw/zinc/52/85/03/870528503.db2.gz LLJKTAHWMAHQBB-SCZZXKLOSA-N 0 2 321.274 1.321 20 30 DDEDLN C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001339499974 870528513 /nfs/dbraw/zinc/52/85/13/870528513.db2.gz LLJKTAHWMAHQBB-SCZZXKLOSA-N 0 2 321.274 1.321 20 30 DDEDLN C=CCOCC(COCC=C)Oc1nc2nc[nH]c2c(=S)[nH]1 ZINC001226780615 882648779 /nfs/dbraw/zinc/64/87/79/882648779.db2.gz RBEIYZJLBOJFFV-UHFFFAOYSA-N 0 2 322.390 1.794 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCOc2ccccc21 ZINC001344466678 873011549 /nfs/dbraw/zinc/01/15/49/873011549.db2.gz NKEWLEXJFGUQPH-QWHCGFSZSA-N 0 2 309.325 1.878 20 30 DDEDLN C=C[C@@H]1O[C@@H](Oc2nc(C(=O)OC)c[nH]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001230281733 884408975 /nfs/dbraw/zinc/40/89/75/884408975.db2.gz FWAJXJBUNJHXKC-GMOBBJLQSA-N 0 2 310.306 1.006 20 30 DDEDLN CC[NH+](CC)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230611499 884650595 /nfs/dbraw/zinc/65/05/95/884650595.db2.gz SWNACUSXGSYROK-INIZCTEOSA-N 0 2 306.454 1.555 20 30 DDEDLN CC(C)[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1 ZINC001363216375 885734918 /nfs/dbraw/zinc/73/49/18/885734918.db2.gz IQBWEWLCDNPODQ-CYBMUJFWSA-N 0 2 301.350 1.163 20 30 DDEDLN CC(C)[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1 ZINC001363216375 885734926 /nfs/dbraw/zinc/73/49/26/885734926.db2.gz IQBWEWLCDNPODQ-CYBMUJFWSA-N 0 2 301.350 1.163 20 30 DDEDLN CSCc1cccc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)c1 ZINC001363726800 887080184 /nfs/dbraw/zinc/08/01/84/887080184.db2.gz HNNZMTCFNWGSII-UHFFFAOYSA-N 0 2 302.359 1.552 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(CCF)n1 ZINC001259118180 898476124 /nfs/dbraw/zinc/47/61/24/898476124.db2.gz AIAJRKAPRIZNFF-UHFFFAOYSA-N 0 2 308.338 1.834 20 30 DDEDLN CC(=O)c1ccc(S(=O)(=O)Nc2cnc(C#N)nc2)cc1 ZINC001259172153 898504098 /nfs/dbraw/zinc/50/40/98/898504098.db2.gz BHKXBYPDANNOMX-UHFFFAOYSA-N 0 2 302.315 1.352 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2F)CCC1=O ZINC001259467985 898684198 /nfs/dbraw/zinc/68/41/98/898684198.db2.gz ZLJIGDXOAQMKAX-MRVPVSSYSA-N 0 2 316.741 1.582 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)CCc2ccccc2F)CCC1=O ZINC001259783873 898800854 /nfs/dbraw/zinc/80/08/54/898800854.db2.gz VPYNFUQDIGQOMO-GFCCVEGCSA-N 0 2 310.350 1.113 20 30 DDEDLN CC(C)C#CC(=O)NCCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001280832458 904095392 /nfs/dbraw/zinc/09/53/92/904095392.db2.gz PIHASSZREDFAOS-CMPLNLGQSA-N 0 2 324.318 1.947 20 30 DDEDLN CC(C)C#CC(=O)NCCC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001280832458 904095401 /nfs/dbraw/zinc/09/54/01/904095401.db2.gz PIHASSZREDFAOS-CMPLNLGQSA-N 0 2 324.318 1.947 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1cccnc1OCC(F)F ZINC000416951428 529589101 /nfs/dbraw/zinc/58/91/01/529589101.db2.gz INEGXQLJOMUGKP-MRVPVSSYSA-N 0 2 305.306 1.769 20 30 DDEDLN Cc1nc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)ccc1C#N ZINC000170747789 306682598 /nfs/dbraw/zinc/68/25/98/306682598.db2.gz ANFWZDHPZDWSCD-UHFFFAOYSA-N 0 2 321.296 1.857 20 30 DDEDLN C[C@H](Oc1ccccc1C#N)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000030113618 352249692 /nfs/dbraw/zinc/24/96/92/352249692.db2.gz CQTKFISKYYADTO-VIFPVBQESA-N 0 2 306.285 1.431 20 30 DDEDLN CC[C@H](C)C[C@H](CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000592875305 355727207 /nfs/dbraw/zinc/72/72/07/355727207.db2.gz SRYJJFKILHQNFW-GXSJLCMTSA-N 0 2 323.418 1.908 20 30 DDEDLN N#Cc1nc(N2CCC(c3n[nH]c(=O)[nH]3)CC2)sc1Cl ZINC000596223441 356821793 /nfs/dbraw/zinc/82/17/93/356821793.db2.gz OLOVJIVSIPNBQC-UHFFFAOYSA-N 0 2 310.770 1.876 20 30 DDEDLN N#Cc1cc2cccnc2nc1N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000596226000 356822952 /nfs/dbraw/zinc/82/29/52/356822952.db2.gz MMVZJKSFLZSGPZ-LLVKDONJSA-N 0 2 321.344 1.709 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](C)C[C@@H]2CCOC2)cc1C#N ZINC000610748663 360525216 /nfs/dbraw/zinc/52/52/16/360525216.db2.gz YPVAXCRLRWYUBR-ZJUUUORDSA-N 0 2 321.402 1.926 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](CO)CC2CC2)cc1C#N ZINC000611508927 360742138 /nfs/dbraw/zinc/74/21/38/360742138.db2.gz UJJKKVLSQZSXJR-JTQLQIEISA-N 0 2 307.375 1.272 20 30 DDEDLN C#CCC[NH+]1CCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC000266489724 205384939 /nfs/dbraw/zinc/38/49/39/205384939.db2.gz DMLUXGCJYUQLDH-UHFFFAOYSA-N 0 2 324.384 1.359 20 30 DDEDLN N#CCc1ccc(NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cc1 ZINC000076383218 406966254 /nfs/dbraw/zinc/96/62/54/406966254.db2.gz ONSRBACCWYKMJH-UHFFFAOYSA-N 0 2 321.296 1.342 20 30 DDEDLN C=CCNC(=O)c1ccc(NS(=O)(=O)c2cn[nH]c2)cc1 ZINC000037791374 406993762 /nfs/dbraw/zinc/99/37/62/406993762.db2.gz YMJSCHFIALGYSL-UHFFFAOYSA-N 0 2 306.347 1.126 20 30 DDEDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000319647243 164037407 /nfs/dbraw/zinc/03/74/07/164037407.db2.gz KVTBWLHRBUNKSO-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](C)Cn2cccn2)cc1C#N ZINC000349845829 409913787 /nfs/dbraw/zinc/91/37/87/409913787.db2.gz JIHYGZMSHQMTQO-SECBINFHSA-N 0 2 317.374 1.396 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2ccnc(N3CC[C@@H](C)C3)c2)c1C#N ZINC000357263096 409953956 /nfs/dbraw/zinc/95/39/56/409953956.db2.gz UAROJFUKCGSADR-SNVBAGLBSA-N 0 2 310.361 2.083 20 30 DDEDLN C=C[C@@H](CO)NC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000350560167 409963217 /nfs/dbraw/zinc/96/32/17/409963217.db2.gz UGFZZPRPTFFVHC-QMMMGPOBSA-N 0 2 310.404 1.665 20 30 DDEDLN C=C[C@@H](CO)NC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000350553765 409963359 /nfs/dbraw/zinc/96/33/59/409963359.db2.gz IGCSYQCTFBMANH-JTQLQIEISA-N 0 2 320.374 1.304 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cccc(Nc3cnccn3)c2)c1C#N ZINC000357241739 409949800 /nfs/dbraw/zinc/94/98/00/409949800.db2.gz KPESCQCTWIWKEE-UHFFFAOYSA-N 0 2 319.328 1.220 20 30 DDEDLN CNC(=O)[C@]1(C)CCN(C([O-])=[NH+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000329546986 410352868 /nfs/dbraw/zinc/35/28/68/410352868.db2.gz HHUMSMAFEAFYHV-MEBBXXQBSA-N 0 2 305.382 1.479 20 30 DDEDLN COc1cnc(NS(=O)(=O)c2ccc(C#N)cc2Cl)nc1 ZINC000337278320 410686367 /nfs/dbraw/zinc/68/63/67/410686367.db2.gz GCUGKBFCRYCQFO-UHFFFAOYSA-N 0 2 324.749 1.811 20 30 DDEDLN CCNc1ccc(C#N)cc1NS(=O)(=O)c1cnn(C)c1C ZINC000427266696 419631753 /nfs/dbraw/zinc/63/17/53/419631753.db2.gz KNSSBAUAGYGCOA-UHFFFAOYSA-N 0 2 319.390 1.833 20 30 DDEDLN C=CC[C@@H](CO)NC(=O)c1cc(F)cc(Br)c1O ZINC000436484056 420332456 /nfs/dbraw/zinc/33/24/56/420332456.db2.gz DCRZSKSMMUDHKI-QMMMGPOBSA-N 0 2 318.142 1.961 20 30 DDEDLN C=CCOC[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)C(=O)OC ZINC000436527952 420337676 /nfs/dbraw/zinc/33/76/76/420337676.db2.gz FTXHYUMVRYHDGS-LLVKDONJSA-N 0 2 315.272 1.144 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H]3OCCC[C@H]23)cc1C#N ZINC000440026023 420550567 /nfs/dbraw/zinc/55/05/67/420550567.db2.gz JTCJHFIWKXQLDR-YUSALJHKSA-N 0 2 319.386 1.678 20 30 DDEDLN Cc1c[nH+]ccc1/C=C\C(=O)[N-]S(=O)(=O)CC(C)(C)C#N ZINC000492979201 420726214 /nfs/dbraw/zinc/72/62/14/420726214.db2.gz BYYWECNOJICQEJ-PLNGDYQASA-N 0 2 307.375 1.399 20 30 DDEDLN C[C@@H](NS(=O)(=O)NCC(F)(F)F)c1ccc(C#N)cc1 ZINC000442913260 420728149 /nfs/dbraw/zinc/72/81/49/420728149.db2.gz HDKKBRQMWHQDLX-MRVPVSSYSA-N 0 2 307.297 1.606 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)NC(=O)/C=C/C2CCCC2)cn1 ZINC000493769707 420937009 /nfs/dbraw/zinc/93/70/09/420937009.db2.gz HDWQWNREKIKXLF-VMPITWQZSA-N 0 2 305.359 1.505 20 30 DDEDLN CC#CC[C@@H](CO)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000646356273 423464028 /nfs/dbraw/zinc/46/40/28/423464028.db2.gz BMNIORZWHNAHJC-JTQLQIEISA-N 0 2 322.415 1.584 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cccc3c2OCO3)cc1C#N ZINC000427290152 268088053 /nfs/dbraw/zinc/08/80/53/268088053.db2.gz TYVUIKDGPYLZML-UHFFFAOYSA-N 0 2 317.326 1.791 20 30 DDEDLN CO[C@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000528968902 340741171 /nfs/dbraw/zinc/74/11/71/340741171.db2.gz PBDRMIPXXLPDHN-WFASDCNBSA-N 0 2 315.304 1.838 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)C[C@H](OC)C1CC1 ZINC000519155735 500837744 /nfs/dbraw/zinc/83/77/44/500837744.db2.gz PAFGIFMJIAFTPW-AWEZNQCLSA-N 0 2 310.375 1.734 20 30 DDEDLN C=CCCOCCNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000339928922 527364112 /nfs/dbraw/zinc/36/41/12/527364112.db2.gz GCZLSPZIXOCTEP-UHFFFAOYSA-N 0 2 303.318 1.352 20 30 DDEDLN CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000736348975 599758814 /nfs/dbraw/zinc/75/88/14/599758814.db2.gz FDLWMBALQXIWBM-GDBMZVCRSA-N 0 2 303.362 1.456 20 30 DDEDLN C[C@H](CNC(=O)[O-])[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000738937845 602558838 /nfs/dbraw/zinc/55/88/38/602558838.db2.gz GKORNMZAWCLIKQ-SECBINFHSA-N 0 2 324.768 1.738 20 30 DDEDLN C[C@H](CNC(=O)[O-])[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000738937845 602558839 /nfs/dbraw/zinc/55/88/39/602558839.db2.gz GKORNMZAWCLIKQ-SECBINFHSA-N 0 2 324.768 1.738 20 30 DDEDLN CC(C)[C@@H](CNc1[nH+]cnc2c1cnn2CCC#N)NC(=O)[O-] ZINC000738791448 602781105 /nfs/dbraw/zinc/78/11/05/602781105.db2.gz WHTVJIWLIOCTDT-LLVKDONJSA-N 0 2 317.353 1.444 20 30 DDEDLN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000738631166 602821537 /nfs/dbraw/zinc/82/15/37/602821537.db2.gz MLPOGXJGFHDCCK-LBPRGKRZSA-N 0 2 316.361 1.571 20 30 DDEDLN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000738631166 602821539 /nfs/dbraw/zinc/82/15/39/602821539.db2.gz MLPOGXJGFHDCCK-LBPRGKRZSA-N 0 2 316.361 1.571 20 30 DDEDLN COc1cc(C#N)ccc1OCC[N@@H+]1CCN(C(=O)[O-])C[C@@H]1C ZINC000739853692 603410778 /nfs/dbraw/zinc/41/07/78/603410778.db2.gz WHQURJZOKZDLDB-LBPRGKRZSA-N 0 2 319.361 1.630 20 30 DDEDLN COc1cc(C#N)ccc1OCC[N@H+]1CCN(C(=O)[O-])C[C@@H]1C ZINC000739853692 603410781 /nfs/dbraw/zinc/41/07/81/603410781.db2.gz WHQURJZOKZDLDB-LBPRGKRZSA-N 0 2 319.361 1.630 20 30 DDEDLN CC(C)(C)c1cnc(C(C#N)C(=O)CN2CCOCC2)s1 ZINC000797572326 700015090 /nfs/dbraw/zinc/01/50/90/700015090.db2.gz XSFGAUQTBCHTPR-NSHDSACASA-N 0 2 307.419 1.949 20 30 DDEDLN N#Cc1ccccc1C=CC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000798255243 700052643 /nfs/dbraw/zinc/05/26/43/700052643.db2.gz YFGIIGVUEDLXOJ-AATRIKPKSA-N 0 2 323.356 1.801 20 30 DDEDLN C=C(Br)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000133626088 696828263 /nfs/dbraw/zinc/82/82/63/696828263.db2.gz SJBGPFIHJJJOCM-UHFFFAOYSA-N 0 2 301.096 1.939 20 30 DDEDLN N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1n[nH]c(=O)[nH]1 ZINC000774969623 697948736 /nfs/dbraw/zinc/94/87/36/697948736.db2.gz QSPDKJFLILOYIS-UHFFFAOYSA-N 0 2 312.207 1.758 20 30 DDEDLN CC(C)(C)OC(=O)CCNN=Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000783866348 698888325 /nfs/dbraw/zinc/88/83/25/698888325.db2.gz PJECPLOWNSZVOI-UHFFFAOYSA-N 0 2 309.322 1.956 20 30 DDEDLN CC(C)(C)/N=C1/NC(=O)C(CC(=O)Nc2cnccn2)S1 ZINC000730814879 699516552 /nfs/dbraw/zinc/51/65/52/699516552.db2.gz FTXNTLLPMRMVST-QMMMGPOBSA-N 0 2 307.379 1.191 20 30 DDEDLN O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNc1nccnc1Cl ZINC000733080392 699578617 /nfs/dbraw/zinc/57/86/17/699578617.db2.gz MDKJEPCKESRKKT-UHFFFAOYSA-N 0 2 318.680 1.807 20 30 DDEDLN N#C[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccc(F)cc1 ZINC000742510412 699880494 /nfs/dbraw/zinc/88/04/94/699880494.db2.gz BXBFGAXCWCEHSZ-VHSXEESVSA-N 0 2 306.322 1.063 20 30 DDEDLN C=CC[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccncc1 ZINC000742677944 699886144 /nfs/dbraw/zinc/88/61/44/699886144.db2.gz UEOMRHDKZVYZPH-WDEREUQCSA-N 0 2 304.375 1.371 20 30 DDEDLN N#CC(C(=O)CN1C(=O)COc2ccccc21)c1ccncn1 ZINC000760357201 700804581 /nfs/dbraw/zinc/80/45/81/700804581.db2.gz KLMNNBRIXJBZPM-LLVKDONJSA-N 0 2 308.297 1.078 20 30 DDEDLN N#C[C@@H](C(=O)CN1C(=O)COc2ccccc21)c1ccncn1 ZINC000760357201 700804583 /nfs/dbraw/zinc/80/45/83/700804583.db2.gz KLMNNBRIXJBZPM-LLVKDONJSA-N 0 2 308.297 1.078 20 30 DDEDLN CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000840318784 702067882 /nfs/dbraw/zinc/06/78/82/702067882.db2.gz MEASHMIWSJWIKO-ZIAGYGMSSA-N 0 2 303.318 1.997 20 30 DDEDLN N#Cc1ccncc1N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000816994204 702254836 /nfs/dbraw/zinc/25/48/36/702254836.db2.gz JPAZFALLVFPIFX-LLVKDONJSA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1ccncc1N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000816994204 702254840 /nfs/dbraw/zinc/25/48/40/702254840.db2.gz JPAZFALLVFPIFX-LLVKDONJSA-N 0 2 316.258 1.502 20 30 DDEDLN C=CCOCCNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000860690268 705256280 /nfs/dbraw/zinc/25/62/80/705256280.db2.gz QIRBHEVECKPUQC-UHFFFAOYSA-N 0 2 320.267 1.391 20 30 DDEDLN CCC(CC)/N=C1/NC(=O)C(CC(=O)Nc2cnccn2)S1 ZINC000864344898 706143241 /nfs/dbraw/zinc/14/32/41/706143241.db2.gz JQXACCADLHDTPI-JTQLQIEISA-N 0 2 321.406 1.581 20 30 DDEDLN CCc1nn(C)cc1S(=O)(=O)Nc1cccc(OCC#N)c1 ZINC000882678352 707745642 /nfs/dbraw/zinc/74/56/42/707745642.db2.gz PKBSWOTXOLGAAC-UHFFFAOYSA-N 0 2 320.374 1.686 20 30 DDEDLN C=CCC[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(=O)[O-] ZINC000909716750 709594082 /nfs/dbraw/zinc/59/40/82/709594082.db2.gz DAKXMJANCOMDQD-CYBMUJFWSA-N 0 2 301.346 1.721 20 30 DDEDLN C=C(C)C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(=O)[O-] ZINC000910285829 709866638 /nfs/dbraw/zinc/86/66/38/709866638.db2.gz DTZCDEDFONFGHS-ZDUSSCGKSA-N 0 2 301.346 1.721 20 30 DDEDLN C=C(Cl)C[C@@H]([NH3+])C(=O)[N-]S(=O)(=O)c1cccc(C)c1 ZINC000901010139 709876800 /nfs/dbraw/zinc/87/68/00/709876800.db2.gz JJESFZLZUGXKOI-LLVKDONJSA-N 0 2 302.783 1.270 20 30 DDEDLN Cn1ncc2c1nc(N=NC1CC3(C1)COC(C)(C)C3)[nH]c2=O ZINC000901195672 709962939 /nfs/dbraw/zinc/96/29/39/709962939.db2.gz GOPYAOOJKYGYET-UHFFFAOYSA-N 0 2 316.365 1.816 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccnn2[C@@H]2CCOC2)cc1 ZINC000903667753 711240627 /nfs/dbraw/zinc/24/06/27/711240627.db2.gz FCXNLHLKZLOZMS-GFCCVEGCSA-N 0 2 318.358 1.517 20 30 DDEDLN O=C(C[C@@H]1S/C(=N/C[C@@H]2CCCS2)NC1=O)NC1CC1 ZINC000905000076 711908463 /nfs/dbraw/zinc/90/84/63/711908463.db2.gz QTTGGZRWWANNKI-UWVGGRQHSA-N 0 2 313.448 1.138 20 30 DDEDLN Cc1cc([C@@H](C#N)C(=O)[C@@H](C)NC(=O)C2CCCC2)nc(C)n1 ZINC000916880710 713471981 /nfs/dbraw/zinc/47/19/81/713471981.db2.gz UUIGHRVRLZGXHT-BXUZGUMPSA-N 0 2 314.389 1.965 20 30 DDEDLN C#C[C@H]1CC[C@H](NC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000923989383 714502063 /nfs/dbraw/zinc/50/20/63/714502063.db2.gz IEXRHSCJDWDLNB-AVGNSLFASA-N 0 2 317.393 1.591 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)CNc1ccc(C#N)nn1 ZINC001104237244 732736060 /nfs/dbraw/zinc/73/60/60/732736060.db2.gz ULOYGWPFRSMJDX-OIBJUYFYSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)CNc1ccc(C#N)nn1 ZINC001104237244 732736065 /nfs/dbraw/zinc/73/60/65/732736065.db2.gz ULOYGWPFRSMJDX-OIBJUYFYSA-N 0 2 319.262 1.413 20 30 DDEDLN C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001027897425 738785413 /nfs/dbraw/zinc/78/54/13/738785413.db2.gz NGMSMMCUFBWEOU-BBRMVZONSA-N 0 2 317.437 1.557 20 30 DDEDLN CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2ccncc2)c1 ZINC001028226852 739195830 /nfs/dbraw/zinc/19/58/30/739195830.db2.gz ORNAYFKVWOGXPU-KRWDZBQOSA-N 0 2 323.400 1.485 20 30 DDEDLN C=CC[N@@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001075819715 740753017 /nfs/dbraw/zinc/75/30/17/740753017.db2.gz AJHUNDBOLXBDQT-GOEBONIOSA-N 0 2 314.433 1.481 20 30 DDEDLN C#Cc1nccnc1NS(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185088409 744151884 /nfs/dbraw/zinc/15/18/84/744151884.db2.gz PWLDMLONWRRYLS-UHFFFAOYSA-N 0 2 309.297 1.678 20 30 DDEDLN Cn1ncc(NS(=O)(=O)Cc2cc(F)ccc2F)c1C#N ZINC001189653936 744949098 /nfs/dbraw/zinc/94/90/98/744949098.db2.gz XPQONNGTKRXGJS-UHFFFAOYSA-N 0 2 312.301 1.512 20 30 DDEDLN CC(C)S(=O)(=O)c1ccc(NS(=O)(=O)[C@H](C)C#N)cc1 ZINC001193140490 745994599 /nfs/dbraw/zinc/99/45/99/745994599.db2.gz ZUNDXRTXGBKKDK-SNVBAGLBSA-N 0 2 316.404 1.522 20 30 DDEDLN CC#CCN1CCO[C@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001107955902 750900009 /nfs/dbraw/zinc/90/00/09/750900009.db2.gz CIXGQOCVQHSQKT-CMPLNLGQSA-N 0 2 310.291 1.117 20 30 DDEDLN CCN(C(=O)C(F)C(F)(F)F)C1CN(C(=O)C#CC2CC2)C1 ZINC001079901441 755624854 /nfs/dbraw/zinc/62/48/54/755624854.db2.gz OGOSRHQSHYOYBZ-GFCCVEGCSA-N 0 2 320.286 1.360 20 30 DDEDLN CCN(C(=O)[C@@H](F)C(F)(F)F)C1CN(C(=O)C#CC2CC2)C1 ZINC001079901441 755624856 /nfs/dbraw/zinc/62/48/56/755624856.db2.gz OGOSRHQSHYOYBZ-GFCCVEGCSA-N 0 2 320.286 1.360 20 30 DDEDLN C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@H]21 ZINC001085036949 758171459 /nfs/dbraw/zinc/17/14/59/758171459.db2.gz VISULJRUENIHKS-ANQUJSFKSA-N 0 2 314.433 1.632 20 30 DDEDLN C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001109276088 763538327 /nfs/dbraw/zinc/53/83/27/763538327.db2.gz YGRPAIBHBLKIOD-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001109276088 763538338 /nfs/dbraw/zinc/53/83/38/763538338.db2.gz YGRPAIBHBLKIOD-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H](NC(=O)C(F)C(F)(F)F)C2)nc1 ZINC001096490564 770459779 /nfs/dbraw/zinc/45/97/79/770459779.db2.gz BNAWYCULKTZGJK-KOLCDFICSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C2)nc1 ZINC001096490564 770459786 /nfs/dbraw/zinc/45/97/86/770459786.db2.gz BNAWYCULKTZGJK-KOLCDFICSA-N 0 2 316.258 1.549 20 30 DDEDLN CN(CCNC(=O)C(F)C(F)(F)F)c1ncccc1C#N ZINC001100367144 776060582 /nfs/dbraw/zinc/06/05/82/776060582.db2.gz TXPYJSHNXBFKOT-VIFPVBQESA-N 0 2 304.247 1.406 20 30 DDEDLN CN(CCNC(=O)[C@H](F)C(F)(F)F)c1ncccc1C#N ZINC001100367144 776060587 /nfs/dbraw/zinc/06/05/87/776060587.db2.gz TXPYJSHNXBFKOT-VIFPVBQESA-N 0 2 304.247 1.406 20 30 DDEDLN N#Cc1ccc(NCCCNC(=O)C(F)C(F)(F)F)cn1 ZINC001094845510 776463124 /nfs/dbraw/zinc/46/31/24/776463124.db2.gz DGCFKHAQPYCGGA-SNVBAGLBSA-N 0 2 304.247 1.772 20 30 DDEDLN N#Cc1ccc(NCCCNC(=O)[C@@H](F)C(F)(F)F)cn1 ZINC001094845510 776463131 /nfs/dbraw/zinc/46/31/31/776463131.db2.gz DGCFKHAQPYCGGA-SNVBAGLBSA-N 0 2 304.247 1.772 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nn1cc(Br)cn1 ZINC001411935783 853997220 /nfs/dbraw/zinc/99/72/20/853997220.db2.gz HEWVRFFNRZTDDV-UHFFFAOYSA-N 0 2 322.122 1.310 20 30 DDEDLN C[C@H]1C[C@H]1c1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)o1 ZINC001412875295 855746811 /nfs/dbraw/zinc/74/68/11/855746811.db2.gz SOTXCPJFRWAFFI-WCBMZHEXSA-N 0 2 300.318 1.274 20 30 DDEDLN C[C@@H](c1cccc(C#N)c1)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001413893717 881383218 /nfs/dbraw/zinc/38/32/18/881383218.db2.gz NQONMGMJABSQMD-JTQLQIEISA-N 0 2 309.329 1.014 20 30 DDEDLN COc1ccc2ncc(O)c(C(=O)N=C(N)c3ncc[nH]3)c2c1 ZINC001154518508 861169086 /nfs/dbraw/zinc/16/90/86/861169086.db2.gz SWHQLBXFQMLFHB-UHFFFAOYSA-N 0 2 311.301 1.218 20 30 DDEDLN C=CCC1(C(=O)N[C@H](C)C[N@H+](C)Cc2n[nH]c(=O)[n-]2)CCCC1 ZINC001322316405 868110058 /nfs/dbraw/zinc/11/00/58/868110058.db2.gz ZQOGZCHRDULSAY-GFCCVEGCSA-N 0 2 321.425 1.583 20 30 DDEDLN C=CCC1(C(=O)N[C@H](C)C[N@@H+](C)Cc2n[nH]c(=O)[n-]2)CCCC1 ZINC001322316405 868110066 /nfs/dbraw/zinc/11/00/66/868110066.db2.gz ZQOGZCHRDULSAY-GFCCVEGCSA-N 0 2 321.425 1.583 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1cc2cnccc2o1 ZINC001307194411 871406234 /nfs/dbraw/zinc/40/62/34/871406234.db2.gz OVWXFHKJSNOZDM-MRVPVSSYSA-N 0 2 311.301 1.260 20 30 DDEDLN Cc1cc(C(C#N)C(=O)[C@H]2CCCN(C3CC3)C2=O)nc(C)n1 ZINC001343496416 872646571 /nfs/dbraw/zinc/64/65/71/872646571.db2.gz ZQNMMEOBXFVXJA-KGLIPLIRSA-N 0 2 312.373 1.671 20 30 DDEDLN Cc1cc([C@H](C#N)C(=O)[C@H]2CCCN(C3CC3)C2=O)nc(C)n1 ZINC001343496416 872646582 /nfs/dbraw/zinc/64/65/82/872646582.db2.gz ZQNMMEOBXFVXJA-KGLIPLIRSA-N 0 2 312.373 1.671 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N(C)C[C@@H](C)C#N ZINC001351545097 876315539 /nfs/dbraw/zinc/31/55/39/876315539.db2.gz TVNVTMNZBVYDFI-NSHDSACASA-N 0 2 315.381 1.649 20 30 DDEDLN CC[C@@]1(C)COCC[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001413971568 879072451 /nfs/dbraw/zinc/07/24/51/879072451.db2.gz HMGUJCMCFOSUEG-HNNXBMFYSA-N 0 2 301.350 1.307 20 30 DDEDLN CC[C@@]1(C)COCC[N@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001413971568 879072468 /nfs/dbraw/zinc/07/24/68/879072468.db2.gz HMGUJCMCFOSUEG-HNNXBMFYSA-N 0 2 301.350 1.307 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cccc2c1NC(=O)CO2 ZINC001363726194 887079089 /nfs/dbraw/zinc/07/90/89/887079089.db2.gz UPASOKOBTWNPRU-UHFFFAOYSA-N 0 2 324.296 1.551 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc(CO)nc2)c(Cl)c1 ZINC001259107849 898473850 /nfs/dbraw/zinc/47/38/50/898473850.db2.gz VFICVVLVWJNLKO-UHFFFAOYSA-N 0 2 323.761 1.900 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)C(=O)C#CC(C)C ZINC001284621939 909265258 /nfs/dbraw/zinc/26/52/58/909265258.db2.gz NQOCQAZLXAQNQU-LLVKDONJSA-N 0 2 310.291 1.511 20 30 DDEDLN CCN(CCNC(=O)[C@@H](F)C(F)(F)F)C(=O)C#CC(C)C ZINC001284621939 909265274 /nfs/dbraw/zinc/26/52/74/909265274.db2.gz NQOCQAZLXAQNQU-LLVKDONJSA-N 0 2 310.291 1.511 20 30 DDEDLN C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NC2=NC(=O)CN2)c1 ZINC000050222957 352565103 /nfs/dbraw/zinc/56/51/03/352565103.db2.gz SKEUACQSAPOKRR-KWQFWETISA-N 0 2 300.318 1.072 20 30 DDEDLN CSc1ncc(C(=O)NC2=NC(=O)CN2)n1-c1ccccc1 ZINC000050222696 352565462 /nfs/dbraw/zinc/56/54/62/352565462.db2.gz AXTNENNQNPMKJR-UHFFFAOYSA-N 0 2 315.358 1.385 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1c(C)n[nH]c1C ZINC000064479174 352938957 /nfs/dbraw/zinc/93/89/57/352938957.db2.gz IKIGNHUJFFFGQM-UHFFFAOYSA-N 0 2 306.347 1.708 20 30 DDEDLN CCc1nn(C)cc1NS(=O)(=O)c1cccc(C)c1C#N ZINC000091021437 353804624 /nfs/dbraw/zinc/80/46/24/353804624.db2.gz NQLAIDLHOVTFRO-UHFFFAOYSA-N 0 2 304.375 1.963 20 30 DDEDLN C=CCCC[C@H](C)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000179789873 354263834 /nfs/dbraw/zinc/26/38/34/354263834.db2.gz PEDVZWBNUKZWTL-VIFPVBQESA-N 0 2 302.334 1.086 20 30 DDEDLN CO[C@@H](CS(=O)(=O)Nc1cc(C)n(CCC#N)n1)C(C)C ZINC000592353824 355564908 /nfs/dbraw/zinc/56/49/08/355564908.db2.gz YMFIPIDHHBMGPT-LBPRGKRZSA-N 0 2 314.411 1.518 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N([C@@H](C)C#N)C2CC2)cc1C#N ZINC000598124919 357468003 /nfs/dbraw/zinc/46/80/03/357468003.db2.gz CGOWHGSZPSARTP-QMMMGPOBSA-N 0 2 302.359 1.897 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H](C)O[C@@H]2C)cc1C#N ZINC000601762702 358684405 /nfs/dbraw/zinc/68/44/05/358684405.db2.gz WBFWFHUEDQSUKU-VAOFZXAKSA-N 0 2 307.375 1.676 20 30 DDEDLN COC1CCC(C[NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330184277 223084328 /nfs/dbraw/zinc/08/43/28/223084328.db2.gz IKIFIKCCRPFPHK-ROKHWSDSSA-N 0 2 306.410 1.907 20 30 DDEDLN CCOCc1nnc(NS(=O)(=O)c2cccc(C#N)c2)o1 ZINC000194964611 201318028 /nfs/dbraw/zinc/31/80/28/201318028.db2.gz HDALUVRGMPESGC-UHFFFAOYSA-N 0 2 308.319 1.279 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)s1 ZINC000333481504 248997950 /nfs/dbraw/zinc/99/79/50/248997950.db2.gz FPMRKPMQGKBCPS-SECBINFHSA-N 0 2 303.347 1.811 20 30 DDEDLN N#Cc1nc(NC(=O)c2cnc([C@H]3CCCO3)s2)[nH]c1C#N ZINC000340575177 251120317 /nfs/dbraw/zinc/12/03/17/251120317.db2.gz GHPVUKJHCUOJCF-SECBINFHSA-N 0 2 314.330 1.713 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C2CCOCC2)cc1C#N ZINC000119631867 195006478 /nfs/dbraw/zinc/00/64/78/195006478.db2.gz AFEQHARRARXXPY-VIFPVBQESA-N 0 2 321.402 1.513 20 30 DDEDLN CO[C@H]1CC[C@H](NC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000331025484 533263524 /nfs/dbraw/zinc/26/35/24/533263524.db2.gz WEKCOSZTDMIPJX-UWVGGRQHSA-N 0 2 307.375 1.678 20 30 DDEDLN CC(=O)Nc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)ccc1C ZINC000047088061 407069878 /nfs/dbraw/zinc/06/98/78/407069878.db2.gz ZKAJRANZEJVUIZ-UHFFFAOYSA-N 0 2 308.301 1.672 20 30 DDEDLN C[C@H]([C@H](C)/N=C/c1cc([N+](=O)[O-])ccc1[O-])[NH+]1CCOCC1 ZINC000105356543 407353915 /nfs/dbraw/zinc/35/39/15/407353915.db2.gz FNIDQFUWRROXAU-AWOYWQDDSA-N 0 2 307.350 1.829 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(N3CCCC3)nc2)[nH]c1C#N ZINC000170725552 407483229 /nfs/dbraw/zinc/48/32/29/407483229.db2.gz FEUACMHEWIYMLO-UHFFFAOYSA-N 0 2 307.317 1.401 20 30 DDEDLN CCc1nn(C)cc1NS(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000234127962 407709042 /nfs/dbraw/zinc/70/90/42/407709042.db2.gz NYCURIWXSAXOLP-UHFFFAOYSA-N 0 2 304.375 1.963 20 30 DDEDLN CCN(CC#N)C(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000272445806 407922248 /nfs/dbraw/zinc/92/22/48/407922248.db2.gz NAHRHDCXZYKANO-UHFFFAOYSA-N 0 2 300.318 1.572 20 30 DDEDLN CC(=O)N1CCC[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000281265277 408877012 /nfs/dbraw/zinc/87/70/12/408877012.db2.gz WRKIYOGUNNXDAH-GFQQVXNGSA-N 0 2 305.334 1.978 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2ccnn2C(C)C)cc1C#N ZINC000314696111 164016446 /nfs/dbraw/zinc/01/64/46/164016446.db2.gz LOCIPSLDISUAAJ-UHFFFAOYSA-N 0 2 305.363 1.840 20 30 DDEDLN CC[C@H]1CCCC[C@@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408483171 164345925 /nfs/dbraw/zinc/34/59/25/164345925.db2.gz BBCUHRDIZXZTHZ-JSGCOSHPSA-N 0 2 321.402 1.975 20 30 DDEDLN C[C@@H]1CCC[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000408485684 164346663 /nfs/dbraw/zinc/34/66/63/164346663.db2.gz HRHBKCSQJKYGOE-PWSUYJOCSA-N 0 2 307.375 1.584 20 30 DDEDLN Cc1nc([C@@H]2CCCO2)sc1C(=O)N=c1[nH][nH]c(C)c1C#N ZINC000357245868 409951694 /nfs/dbraw/zinc/95/16/94/409951694.db2.gz RGOJTYMTVGYPJX-JTQLQIEISA-N 0 2 317.374 2.459 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2ccc(C)nc2)nn1CCC#N ZINC000350892323 410009200 /nfs/dbraw/zinc/00/92/00/410009200.db2.gz CRUWPRULLSPGTB-UHFFFAOYSA-N 0 2 305.363 1.609 20 30 DDEDLN Cc1ccc2[nH+]c(CNC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cn2c1 ZINC000328961522 410022616 /nfs/dbraw/zinc/02/26/16/410022616.db2.gz QDFMJENCUHZQFY-OAHLLOKOSA-N 0 2 313.405 1.489 20 30 DDEDLN C=CCn1c(=[NH2+])[n-]nc1SCc1nc(CC(F)(F)F)no1 ZINC000357999983 410336643 /nfs/dbraw/zinc/33/66/43/410336643.db2.gz FRZDRDCZUMOMFF-UHFFFAOYSA-N 0 2 320.300 1.826 20 30 DDEDLN COCC(C)(C)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000343509684 410500498 /nfs/dbraw/zinc/50/04/98/410500498.db2.gz SKYRBRMXYHNBLW-UHFFFAOYSA-N 0 2 309.391 1.783 20 30 DDEDLN N#CC[C@@H](CC(=O)NCCCc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000359642006 410789307 /nfs/dbraw/zinc/78/93/07/410789307.db2.gz NGLNDTBDKSIMKK-ZDUSSCGKSA-N 0 2 313.361 1.647 20 30 DDEDLN CCc1oncc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000337852808 411035234 /nfs/dbraw/zinc/03/52/34/411035234.db2.gz JXUXKRAWTHNYPB-UHFFFAOYSA-N 0 2 322.302 1.818 20 30 DDEDLN CC#CCCNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000361575848 418683402 /nfs/dbraw/zinc/68/34/02/418683402.db2.gz DIIFIUIOFMEBOS-UHFFFAOYSA-N 0 2 313.361 1.596 20 30 DDEDLN CN(Cc1cccc(C#N)c1)C(=O)CSc1n[nH]c(=O)[nH]1 ZINC000361918630 418725335 /nfs/dbraw/zinc/72/53/35/418725335.db2.gz KCPIBCRPXSYRKJ-UHFFFAOYSA-N 0 2 303.347 1.133 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cc(C3CC3)n[nH]2)cc1C#N ZINC000427786875 419733549 /nfs/dbraw/zinc/73/35/49/419733549.db2.gz URIBSQOEZKYVFQ-UHFFFAOYSA-N 0 2 303.347 1.663 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCc2ccncc2)cc1C#N ZINC000358928720 269816567 /nfs/dbraw/zinc/81/65/67/269816567.db2.gz HPJNIWGOXSVHBA-UHFFFAOYSA-N 0 2 314.370 1.748 20 30 DDEDLN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000567181353 421610895 /nfs/dbraw/zinc/61/08/95/421610895.db2.gz RGTZPQVILNCXEW-XHDPSFHLSA-N 0 2 315.377 1.521 20 30 DDEDLN C=CC(C)(C)CCNC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000627687810 421848299 /nfs/dbraw/zinc/84/82/99/421848299.db2.gz ZPKIHPPMCLGIKH-UHFFFAOYSA-N 0 2 324.450 1.915 20 30 DDEDLN C=CCC[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(=O)[O-] ZINC000630182567 421942071 /nfs/dbraw/zinc/94/20/71/421942071.db2.gz OFMKTINVNLFJTK-KGLIPLIRSA-N 0 2 310.394 1.165 20 30 DDEDLN C=CCC[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(=O)[O-] ZINC000630182567 421942079 /nfs/dbraw/zinc/94/20/79/421942079.db2.gz OFMKTINVNLFJTK-KGLIPLIRSA-N 0 2 310.394 1.165 20 30 DDEDLN COc1ccc2[nH]c(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2c1 ZINC000190461537 263446811 /nfs/dbraw/zinc/44/68/11/263446811.db2.gz ZRMWYLNPQFIIHG-UHFFFAOYSA-N 0 2 306.285 1.895 20 30 DDEDLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2cncc(C#N)c2)n1 ZINC000357371378 269993063 /nfs/dbraw/zinc/99/30/63/269993063.db2.gz NNFAAFLWSWSSKP-UHFFFAOYSA-N 0 2 315.358 1.730 20 30 DDEDLN N#Cc1ccc(NC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000373832330 268144077 /nfs/dbraw/zinc/14/40/77/268144077.db2.gz SABUVOTYDCRRCJ-UHFFFAOYSA-N 0 2 312.333 1.793 20 30 DDEDLN N#C[C@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)CCN1C1CC1 ZINC000364005465 303169169 /nfs/dbraw/zinc/16/91/69/303169169.db2.gz SKRBAMITQWSKAF-NSHDSACASA-N 0 2 307.300 1.483 20 30 DDEDLN N#Cc1nc(NC(=O)[C@@H]2COc3ccc(F)cc3C2)[nH]c1C#N ZINC000161078552 303216225 /nfs/dbraw/zinc/21/62/25/303216225.db2.gz LEVAHBMZUABRDG-VIFPVBQESA-N 0 2 311.276 1.482 20 30 DDEDLN C=CCSCCNC(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000494844203 527000729 /nfs/dbraw/zinc/00/07/29/527000729.db2.gz GPAOOQCNMAYACN-UHFFFAOYSA-N 0 2 305.407 1.942 20 30 DDEDLN C#C[C@@H](CC)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000491566600 527243510 /nfs/dbraw/zinc/24/35/10/527243510.db2.gz HLHFBCMGZUTRRX-NSHDSACASA-N 0 2 315.398 1.847 20 30 DDEDLN C#C[C@@H](CCC)NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000491665595 527247415 /nfs/dbraw/zinc/24/74/15/527247415.db2.gz USZQZPBSIJENTF-VIFPVBQESA-N 0 2 308.407 1.114 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(C(=O)OC)c(OC)c1 ZINC000416958060 529271270 /nfs/dbraw/zinc/27/12/70/529271270.db2.gz LKWZHAXEPUNUML-JTQLQIEISA-N 0 2 312.347 1.526 20 30 DDEDLN C[C@@H](CN(C)C(=O)[C@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001120845935 782181598 /nfs/dbraw/zinc/18/15/98/782181598.db2.gz SYCBSPFARDAULP-XVKPBYJWSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001120845935 782181592 /nfs/dbraw/zinc/18/15/92/782181592.db2.gz SYCBSPFARDAULP-XVKPBYJWSA-N 0 2 319.262 1.507 20 30 DDEDLN CCN(CCNc1[nH+]cnc2c1cnn2CCC#N)C(=O)[O-] ZINC000739439218 602310864 /nfs/dbraw/zinc/31/08/64/602310864.db2.gz KUZVLCVBWRNMHD-UHFFFAOYSA-N 0 2 303.326 1.152 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2cccc3nsnc32)cn1 ZINC000747406702 700068344 /nfs/dbraw/zinc/06/83/44/700068344.db2.gz IDEACCVXCJRABL-UHFFFAOYSA-N 0 2 320.359 1.212 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cn1 ZINC000747406776 700068538 /nfs/dbraw/zinc/06/85/38/700068538.db2.gz KZNDEFKGJIICSD-UHFFFAOYSA-N 0 2 319.302 1.054 20 30 DDEDLN N#Cc1ccc(O)c(NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 ZINC000748674282 700131167 /nfs/dbraw/zinc/13/11/67/700131167.db2.gz OITDLOFLJUDAPD-UHFFFAOYSA-N 0 2 317.326 1.164 20 30 DDEDLN C#C[C@@H](NC(=O)c1c[nH]c2nc(C)ccc2c1=O)[C@H]1CCCO1 ZINC000776271114 698089957 /nfs/dbraw/zinc/08/99/57/698089957.db2.gz YHYIUQCIIZSODB-ZIAGYGMSSA-N 0 2 311.341 1.554 20 30 DDEDLN COCCO[C@@H]1COCC[C@H]1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000776721908 698133264 /nfs/dbraw/zinc/13/32/64/698133264.db2.gz KLIQFCOHVUWAHX-PBKRQMHWSA-N 0 2 324.333 1.540 20 30 DDEDLN CC(C)(C)OC(=O)CCNN=Cc1cc([N+](=O)[O-])ccc1O ZINC000783863294 698888301 /nfs/dbraw/zinc/88/83/01/698888301.db2.gz NPBHHLSALQSPMG-UHFFFAOYSA-N 0 2 309.322 1.956 20 30 DDEDLN C[C@H](OC(=O)c1cc(F)c(O)c(F)c1)C(=O)NC1(C#N)CCC1 ZINC000787722773 699234748 /nfs/dbraw/zinc/23/47/48/699234748.db2.gz AJMIJVMKGXYAOH-QMMMGPOBSA-N 0 2 324.283 1.778 20 30 DDEDLN COC(=O)N1CCC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1 ZINC000726430170 699362958 /nfs/dbraw/zinc/36/29/58/699362958.db2.gz WSDRKLPUAYAEGQ-LWHXSLQUSA-N 0 2 307.306 1.950 20 30 DDEDLN CCCC/N=C1/NC(=O)C(CC(=O)Nc2cnccn2)S1 ZINC000730816396 699516591 /nfs/dbraw/zinc/51/65/91/699516591.db2.gz TYSZOSXUYVSAKE-SECBINFHSA-N 0 2 307.379 1.193 20 30 DDEDLN CN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1SC(=N)NC1=O ZINC000742526515 699880641 /nfs/dbraw/zinc/88/06/41/699880641.db2.gz BFGBUPQNVUEWSC-LLVKDONJSA-N 0 2 302.359 1.073 20 30 DDEDLN C=CCOc1ccccc1CNC(=O)C[C@H]1SC(=N)NC1=O ZINC000742664930 699885567 /nfs/dbraw/zinc/88/55/67/699885567.db2.gz NISARCNAANQVRC-GFCCVEGCSA-N 0 2 319.386 1.424 20 30 DDEDLN C=CC[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccncc1 ZINC000742677943 699886166 /nfs/dbraw/zinc/88/61/66/699886166.db2.gz UEOMRHDKZVYZPH-QWRGUYRKSA-N 0 2 304.375 1.371 20 30 DDEDLN C[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1cccc(C#N)c1 ZINC000743776631 699926750 /nfs/dbraw/zinc/92/67/50/699926750.db2.gz CTBCGAMKWAUIEZ-KWQFWETISA-N 0 2 302.359 1.292 20 30 DDEDLN CCCC[C@@H](ON=C(C)C)C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000758300909 700697217 /nfs/dbraw/zinc/69/72/17/700697217.db2.gz PSWPWOMPEPJIAT-LLVKDONJSA-N 0 2 311.386 1.530 20 30 DDEDLN COc1nccnc1NN=C1CCN(Cc2ccccc2)C1=O ZINC000763411342 700937313 /nfs/dbraw/zinc/93/73/13/700937313.db2.gz HSMNWWMOJWLHHH-UHFFFAOYSA-N 0 2 311.345 1.686 20 30 DDEDLN Cc1nc(CCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cs1 ZINC000770868489 701298281 /nfs/dbraw/zinc/29/82/81/701298281.db2.gz KUMYNCOPQRVFFT-NSHDSACASA-N 0 2 302.359 1.709 20 30 DDEDLN O=C1[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C[C@@H]2CCCCN12 ZINC000840710461 702217281 /nfs/dbraw/zinc/21/72/81/702217281.db2.gz QMUSDWOLJDDUQE-YMGKKIHXSA-N 0 2 303.318 1.873 20 30 DDEDLN N#C[C@H](C(=O)CN1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813214542 702313690 /nfs/dbraw/zinc/31/36/90/702313690.db2.gz ZIHFXAUUGQXZLD-NSHDSACASA-N 0 2 313.279 1.609 20 30 DDEDLN C=CCS(=O)(=O)[N-]C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000847670050 703450804 /nfs/dbraw/zinc/45/08/04/703450804.db2.gz RPIYYIFLLSYDIO-LBPRGKRZSA-N 0 2 316.810 1.575 20 30 DDEDLN CO[C@@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C1CCCCC1 ZINC000850899798 703763052 /nfs/dbraw/zinc/76/30/52/703763052.db2.gz WNMNTFHYRVYARW-SWLSCSKDSA-N 0 2 303.362 1.907 20 30 DDEDLN N#Cc1ccnc(N2CCN(c3[nH+]cccc3C(=O)[O-])CC2)c1 ZINC000884002402 708097798 /nfs/dbraw/zinc/09/77/98/708097798.db2.gz FCLWKLBPIVGOAY-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN C#CCSCC(=O)NOC[C@H](C)NC(=O)OC(C)(C)C ZINC000897266352 708274033 /nfs/dbraw/zinc/27/40/33/708274033.db2.gz GMBINPKWANEPQZ-JTQLQIEISA-N 0 2 302.396 1.314 20 30 DDEDLN Cc1c(S(=O)(=O)Nc2ccc(CCC#N)cc2)cnn1C ZINC000901741216 710136507 /nfs/dbraw/zinc/13/65/07/710136507.db2.gz OSLOKWPHHJNRFJ-UHFFFAOYSA-N 0 2 304.375 1.986 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC000892863250 710514815 /nfs/dbraw/zinc/51/48/15/710514815.db2.gz HVGWWFDJUCOIGS-RYUDHWBXSA-N 0 2 303.362 1.907 20 30 DDEDLN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000907886083 712641640 /nfs/dbraw/zinc/64/16/40/712641640.db2.gz GWZLAZBHYRSTGQ-RYUDHWBXSA-N 0 2 306.366 1.198 20 30 DDEDLN C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)C(F)C(F)(F)F ZINC001104847857 737277805 /nfs/dbraw/zinc/27/78/05/737277805.db2.gz OXMYVCFTFGCVMH-GMSGAONNSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001104847857 737277812 /nfs/dbraw/zinc/27/78/12/737277812.db2.gz OXMYVCFTFGCVMH-GMSGAONNSA-N 0 2 319.262 1.507 20 30 DDEDLN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001024755556 736069674 /nfs/dbraw/zinc/06/96/74/736069674.db2.gz JWANUOYWPKBILJ-STQMWFEESA-N 0 2 303.410 1.066 20 30 DDEDLN N#Cc1cccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2nc[nH]n2)c1 ZINC001028209026 739161466 /nfs/dbraw/zinc/16/14/66/739161466.db2.gz CVFDIKVDDTXJFK-CQSZACIVSA-N 0 2 310.361 1.071 20 30 DDEDLN C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCc4[nH+]c[nH]c43)[C@@H]2C1 ZINC001076228804 742610554 /nfs/dbraw/zinc/61/05/54/742610554.db2.gz LDFVIHBRSBNJRJ-SQWLQELKSA-N 0 2 314.433 1.938 20 30 DDEDLN COc1cc(C#N)c(F)cc1NC(=O)C(CO)C(F)(F)F ZINC001183284477 743819155 /nfs/dbraw/zinc/81/91/55/743819155.db2.gz LLMZAOOGVDGQMV-SSDOTTSWSA-N 0 2 306.215 1.815 20 30 DDEDLN COc1cc(C#N)c(F)cc1NC(=O)[C@@H](CO)C(F)(F)F ZINC001183284477 743819162 /nfs/dbraw/zinc/81/91/62/743819162.db2.gz LLMZAOOGVDGQMV-SSDOTTSWSA-N 0 2 306.215 1.815 20 30 DDEDLN C[C@H](CCNc1cncc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001106603268 745826588 /nfs/dbraw/zinc/82/65/88/745826588.db2.gz IFEXYWXSKSFXHP-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H](F)C(F)(F)F ZINC001106603268 745826594 /nfs/dbraw/zinc/82/65/94/745826594.db2.gz IFEXYWXSKSFXHP-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN N#Cc1cccc(C(=O)NC(=N)c2cnc3ccc(F)cn32)c1O ZINC001193659293 746168843 /nfs/dbraw/zinc/16/88/43/746168843.db2.gz KZYFYIPVKTWWSF-UHFFFAOYSA-N 0 2 323.287 1.806 20 30 DDEDLN CCOC(=O)c1[nH]cnc1NC(=O)c1ccc(C#N)cc1O ZINC001195733927 746680102 /nfs/dbraw/zinc/68/01/02/746680102.db2.gz YOMURWJBMPMVKI-UHFFFAOYSA-N 0 2 300.274 1.416 20 30 DDEDLN C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213284 748951102 /nfs/dbraw/zinc/95/11/02/748951102.db2.gz ZESKBKGHYBHDHH-KGLIPLIRSA-N 0 2 302.422 1.542 20 30 DDEDLN C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213284 748951108 /nfs/dbraw/zinc/95/11/08/748951108.db2.gz ZESKBKGHYBHDHH-KGLIPLIRSA-N 0 2 302.422 1.542 20 30 DDEDLN C[C@H](CNc1ccncc1C#N)NC(=O)C(F)C(F)(F)F ZINC001108170738 753348292 /nfs/dbraw/zinc/34/82/92/753348292.db2.gz NFDLEMBRKHGRQD-GMSGAONNSA-N 0 2 304.247 1.192 20 30 DDEDLN C[C@H](CNc1ccncc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001108170738 753348298 /nfs/dbraw/zinc/34/82/98/753348298.db2.gz NFDLEMBRKHGRQD-GMSGAONNSA-N 0 2 304.247 1.192 20 30 DDEDLN C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132257007 768713956 /nfs/dbraw/zinc/71/39/56/768713956.db2.gz SDYCTYJTNWBBQL-VXGBXAGGSA-N 0 2 307.398 1.336 20 30 DDEDLN C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132257007 768713959 /nfs/dbraw/zinc/71/39/59/768713959.db2.gz SDYCTYJTNWBBQL-VXGBXAGGSA-N 0 2 307.398 1.336 20 30 DDEDLN Cn1ncc(NS(=O)(=O)c2cc(C#N)ccc2Cl)c1C#N ZINC001190939037 851148390 /nfs/dbraw/zinc/14/83/90/851148390.db2.gz LYFISZMJHFFQSM-UHFFFAOYSA-N 0 2 321.749 1.618 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)C(F)C(F)(F)F)CC1 ZINC001073230423 858191873 /nfs/dbraw/zinc/19/18/73/858191873.db2.gz XYTBXLADCKHYEA-BDAKNGLRSA-N 0 2 323.290 1.544 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001073230423 858191876 /nfs/dbraw/zinc/19/18/76/858191876.db2.gz XYTBXLADCKHYEA-BDAKNGLRSA-N 0 2 323.290 1.544 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCn3ccnc32)cc1C#N ZINC001361463848 881701552 /nfs/dbraw/zinc/70/15/52/881701552.db2.gz AHSUAWADSPRMHW-UHFFFAOYSA-N 0 2 301.331 1.238 20 30 DDEDLN C=CCCC(=O)NC1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001333655426 866909183 /nfs/dbraw/zinc/90/91/83/866909183.db2.gz YBUNTVXULOAPPR-NWGYLPEXSA-N 0 2 310.291 1.864 20 30 DDEDLN C=CCCC(=O)NC1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001333655426 866909187 /nfs/dbraw/zinc/90/91/87/866909187.db2.gz YBUNTVXULOAPPR-NWGYLPEXSA-N 0 2 310.291 1.864 20 30 DDEDLN N#CC(C(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O)c1ccncn1 ZINC001342582263 872275302 /nfs/dbraw/zinc/27/53/02/872275302.db2.gz WBQZRCDFJGELDT-KHQFGBGNSA-N 0 2 312.251 1.110 20 30 DDEDLN C=CCCC(=O)N(C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001350701323 875844493 /nfs/dbraw/zinc/84/44/93/875844493.db2.gz WVINRDXJVXKMBK-GXSJLCMTSA-N 0 2 310.291 1.912 20 30 DDEDLN C=CCCC(=O)N(C)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001350701323 875844505 /nfs/dbraw/zinc/84/45/05/875844505.db2.gz WVINRDXJVXKMBK-GXSJLCMTSA-N 0 2 310.291 1.912 20 30 DDEDLN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](Oc2nc(O)cc(=O)[nH]2)C1 ZINC001228391362 883479191 /nfs/dbraw/zinc/47/91/91/883479191.db2.gz VHVHMBLOGLNSFF-RKDXNWHRSA-N 0 2 322.321 1.026 20 30 DDEDLN C[C@H]1[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCOC1(C)C ZINC001364355691 888446394 /nfs/dbraw/zinc/44/63/94/888446394.db2.gz YSXHKSGWCCFFFC-SNVBAGLBSA-N 0 2 301.350 1.306 20 30 DDEDLN C[C@H]1[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCOC1(C)C ZINC001364355691 888446399 /nfs/dbraw/zinc/44/63/99/888446399.db2.gz YSXHKSGWCCFFFC-SNVBAGLBSA-N 0 2 301.350 1.306 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)NC(=O)CC(F)(F)F ZINC001386300922 890747259 /nfs/dbraw/zinc/74/72/59/890747259.db2.gz DHUCWQYTIWKOLH-XINAWCOVSA-N 0 2 312.185 1.460 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)NC(=O)CC(F)(F)F ZINC001386300922 890747276 /nfs/dbraw/zinc/74/72/76/890747276.db2.gz DHUCWQYTIWKOLH-XINAWCOVSA-N 0 2 312.185 1.460 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC001254176060 896285013 /nfs/dbraw/zinc/28/50/13/896285013.db2.gz RWHIYJRPKVBLDY-ZDUSSCGKSA-N 0 2 324.402 1.654 20 30 DDEDLN C#Cc1cnc(NS(=O)(=O)Cc2ccccc2F)c(C#C)n1 ZINC001260622828 899185857 /nfs/dbraw/zinc/18/58/57/899185857.db2.gz UVECVTOFYUMRBA-UHFFFAOYSA-N 0 2 315.329 1.520 20 30 DDEDLN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)C(F)C(F)(F)F ZINC001372832104 908326705 /nfs/dbraw/zinc/32/67/05/908326705.db2.gz AAAGYIQYIYQTOW-MUWHJKNJSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@H](F)C(F)(F)F ZINC001372832104 908326718 /nfs/dbraw/zinc/32/67/18/908326718.db2.gz AAAGYIQYIYQTOW-MUWHJKNJSA-N 0 2 320.246 1.021 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)NC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001284941439 909779784 /nfs/dbraw/zinc/77/97/84/909779784.db2.gz RGTICRRUQCLBKA-CABZTGNLSA-N 0 2 310.291 1.816 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)NC1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001284941439 909779789 /nfs/dbraw/zinc/77/97/89/909779789.db2.gz RGTICRRUQCLBKA-CABZTGNLSA-N 0 2 310.291 1.816 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1C#N ZINC000155170713 290687283 /nfs/dbraw/zinc/68/72/83/290687283.db2.gz QYPQPPSKEWSHFP-AOOOYVTPSA-N 0 2 303.387 1.841 20 30 DDEDLN Cc1ccc2c(n1)[nH]cc(C(=O)N1CC[C@](F)(C#N)C1)c2=O ZINC000615932305 362493094 /nfs/dbraw/zinc/49/30/94/362493094.db2.gz JTXLOXXRHLXHBG-HNNXBMFYSA-N 0 2 300.293 1.722 20 30 DDEDLN CC(C)(C)OC(=O)N1CCC(C(=O)NC2=NC(=O)CN2)CC1 ZINC000050222244 352564704 /nfs/dbraw/zinc/56/47/04/352564704.db2.gz MPRNWUVMPIHAEM-UHFFFAOYSA-N 0 2 310.354 1.076 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)C[C@H](OC)C(C)C ZINC000592352900 355564970 /nfs/dbraw/zinc/56/49/70/355564970.db2.gz JEHCOQIMWIIKCM-AWEZNQCLSA-N 0 2 312.391 1.980 20 30 DDEDLN CC(C)C[C@@H](C#N)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000608824856 360249609 /nfs/dbraw/zinc/24/96/09/360249609.db2.gz DGLLZFWKSGYRBD-VIFPVBQESA-N 0 2 301.306 1.104 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cnn(C)c3C#N)nc21 ZINC000361721308 223536486 /nfs/dbraw/zinc/53/64/86/223536486.db2.gz QPWUKQVFIMFKSA-SECBINFHSA-N 0 2 305.301 1.362 20 30 DDEDLN N#Cc1nc(NC(=O)CCc2nc3ccccc3[nH]2)[nH]c1C#N ZINC000026271492 248184836 /nfs/dbraw/zinc/18/48/36/248184836.db2.gz FEODKEZSIDMWEJ-UHFFFAOYSA-N 0 2 305.301 1.601 20 30 DDEDLN N#Cc1nc(NC(=O)Cc2ccc3c(c2)OCCO3)[nH]c1C#N ZINC000026275617 406903083 /nfs/dbraw/zinc/90/30/83/406903083.db2.gz GAPMRUXDLGNLLZ-UHFFFAOYSA-N 0 2 309.285 1.105 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1nc2ncccn2n1 ZINC000077966243 407016173 /nfs/dbraw/zinc/01/61/73/407016173.db2.gz CPUGJYDMJAXKSE-UHFFFAOYSA-N 0 2 314.330 1.105 20 30 DDEDLN CN(C)C1=NC(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)S1 ZINC000077397483 406989492 /nfs/dbraw/zinc/98/94/92/406989492.db2.gz BKDWENMZKIDBMK-LLVKDONJSA-N 0 2 302.359 1.446 20 30 DDEDLN CN(C)C1=NC(=O)C(CC(=O)Nc2ccc(C#N)cc2)S1 ZINC000077397483 406989493 /nfs/dbraw/zinc/98/94/93/406989493.db2.gz BKDWENMZKIDBMK-LLVKDONJSA-N 0 2 302.359 1.446 20 30 DDEDLN C[C@@H](Sc1n[nH]c(=O)[nH]1)C(=O)N(CCC#N)c1ccccc1 ZINC000187641252 407872732 /nfs/dbraw/zinc/87/27/32/407872732.db2.gz WSXMAJVHFGJSHS-SNVBAGLBSA-N 0 2 317.374 1.938 20 30 DDEDLN CN(C)c1cccc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000181100565 407954567 /nfs/dbraw/zinc/95/45/67/407954567.db2.gz CZQNRTWMADTDQN-UHFFFAOYSA-N 0 2 302.359 1.820 20 30 DDEDLN COc1cc(F)ccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000164978176 408805661 /nfs/dbraw/zinc/80/56/61/408805661.db2.gz DBJKCNSXRBPXMU-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN C[C@H](C(=O)N(C)CCC#N)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285784493 408863033 /nfs/dbraw/zinc/86/30/33/408863033.db2.gz UILGOLICSNNBLI-OAHLLOKOSA-N 0 2 320.437 1.794 20 30 DDEDLN COCCn1cc(C/N=C/c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000283777535 409215689 /nfs/dbraw/zinc/21/56/89/409215689.db2.gz KIRRXMSSUKCFNG-OQLLNIDSSA-N 0 2 304.306 1.762 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CC23CCCCC3)c1 ZINC000408489590 164348148 /nfs/dbraw/zinc/34/81/48/164348148.db2.gz UNIJFSXXUKQRQD-ZDUSSCGKSA-N 0 2 319.386 1.729 20 30 DDEDLN N#C[C@H](C(=O)c1csc(-c2cnccn2)n1)c1ccncn1 ZINC000354467255 409875343 /nfs/dbraw/zinc/87/53/43/409875343.db2.gz NZWJUCPBDSFWFI-VIFPVBQESA-N 0 2 308.326 1.880 20 30 DDEDLN N#CC(C(=O)c1csc(-c2cnccn2)n1)c1ccncn1 ZINC000354467255 409875353 /nfs/dbraw/zinc/87/53/53/409875353.db2.gz NZWJUCPBDSFWFI-VIFPVBQESA-N 0 2 308.326 1.880 20 30 DDEDLN CC(=O)c1ccc(NS(=O)(=O)c2cncc(C#N)c2)nc1 ZINC000357364431 409994632 /nfs/dbraw/zinc/99/46/32/409994632.db2.gz ASUDGQRVGWIIDF-UHFFFAOYSA-N 0 2 302.315 1.352 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCCCO2)cc1C#N ZINC000357469012 410056728 /nfs/dbraw/zinc/05/67/28/410056728.db2.gz DUYLAUZPSQACEW-JTQLQIEISA-N 0 2 307.375 1.680 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2nccs2)cc1C#N ZINC000339463965 410205947 /nfs/dbraw/zinc/20/59/47/410205947.db2.gz HEMCKWRXTKBFBI-UHFFFAOYSA-N 0 2 306.372 1.767 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@]2(C)CCO[C@@H]2C)cc1C#N ZINC000334039877 410626881 /nfs/dbraw/zinc/62/68/81/410626881.db2.gz UUWSSTBIWLCKPM-CLAHSXSESA-N 0 2 307.375 1.678 20 30 DDEDLN CO[C@H](C(=O)N=c1[nH][nH]c(C2CC2)c1C#N)c1ccc(O)cc1 ZINC000359727033 410838248 /nfs/dbraw/zinc/83/82/48/410838248.db2.gz SGJPTIAIPFXAQW-AWEZNQCLSA-N 0 2 312.329 2.191 20 30 DDEDLN C=CC[N@@H+](CC(=O)NCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000262274776 222274723 /nfs/dbraw/zinc/27/47/23/222274723.db2.gz VLEPCSFGCLLWJB-UHFFFAOYSA-N 0 2 302.783 1.590 20 30 DDEDLN C=CC[N@H+](CC(=O)NCC(=O)[O-])Cc1ccc(Cl)s1 ZINC000262274776 222274726 /nfs/dbraw/zinc/27/47/26/222274726.db2.gz VLEPCSFGCLLWJB-UHFFFAOYSA-N 0 2 302.783 1.590 20 30 DDEDLN Cc1ccc(-c2nc(S(=O)(=O)CCOCCC#N)n[nH]2)cc1 ZINC000453026152 420703966 /nfs/dbraw/zinc/70/39/66/420703966.db2.gz MPJAONKRUKLQPZ-UHFFFAOYSA-N 0 2 320.374 1.484 20 30 DDEDLN N#CCc1ccc(CNS(=O)(=O)NCC(F)(F)F)cc1 ZINC000566617270 421607880 /nfs/dbraw/zinc/60/78/80/421607880.db2.gz MQNYIOVCJVYCTK-UHFFFAOYSA-N 0 2 307.297 1.239 20 30 DDEDLN CC#CC[C@@H](CO)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632506332 422397001 /nfs/dbraw/zinc/39/70/01/422397001.db2.gz WREMQEOJRVRXPW-VIFPVBQESA-N 0 2 318.782 1.258 20 30 DDEDLN COC(=O)c1ccncc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000350741128 266669975 /nfs/dbraw/zinc/66/99/75/266669975.db2.gz KUJLSAHZPDLVHE-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN C[C@@H](Cn1ncc2ccccc21)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000351297225 266940922 /nfs/dbraw/zinc/94/09/22/266940922.db2.gz FQYNSUXAHDJPQN-JTQLQIEISA-N 0 2 319.328 1.778 20 30 DDEDLN N#Cc1nc(NC(=O)[C@@H]2CCC(=O)c3ccccc32)[nH]c1C#N ZINC000351249899 268324035 /nfs/dbraw/zinc/32/40/35/268324035.db2.gz JGBPATFYIMNHPC-LLVKDONJSA-N 0 2 305.297 1.852 20 30 DDEDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(CC#N)c1 ZINC000313471206 331958991 /nfs/dbraw/zinc/95/89/91/331958991.db2.gz USNIKHPQCDEPDZ-UHFFFAOYSA-N 0 2 304.375 1.904 20 30 DDEDLN COc1cc([C@H](C#N)NC(=O)C(C)C#N)cc(OC)c1OC ZINC000345250236 335311957 /nfs/dbraw/zinc/31/19/57/335311957.db2.gz PIKOPSPCFPRUMX-ONGXEEELSA-N 0 2 303.318 1.553 20 30 DDEDLN COc1cc([C@H](C#N)NC(=O)[C@@H](C)C#N)cc(OC)c1OC ZINC000345250236 335311958 /nfs/dbraw/zinc/31/19/58/335311958.db2.gz PIKOPSPCFPRUMX-ONGXEEELSA-N 0 2 303.318 1.553 20 30 DDEDLN C=CC[C@@H](CO)CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000342416675 527078339 /nfs/dbraw/zinc/07/83/39/527078339.db2.gz UOCHSPWALWIZDA-LLVKDONJSA-N 0 2 319.336 1.631 20 30 DDEDLN C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000825996272 601441408 /nfs/dbraw/zinc/44/14/08/601441408.db2.gz XIAKWTSRZCBNKT-IAQYHMDHSA-N 0 2 311.357 1.216 20 30 DDEDLN C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000825996272 601441409 /nfs/dbraw/zinc/44/14/09/601441409.db2.gz XIAKWTSRZCBNKT-IAQYHMDHSA-N 0 2 311.357 1.216 20 30 DDEDLN C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000825996271 601441478 /nfs/dbraw/zinc/44/14/78/601441478.db2.gz XIAKWTSRZCBNKT-ABAIWWIYSA-N 0 2 311.357 1.216 20 30 DDEDLN C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000825996271 601441479 /nfs/dbraw/zinc/44/14/79/601441479.db2.gz XIAKWTSRZCBNKT-ABAIWWIYSA-N 0 2 311.357 1.216 20 30 DDEDLN C[N@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828120669 603535405 /nfs/dbraw/zinc/53/54/05/603535405.db2.gz TZEYFQBHGVTZED-SNVBAGLBSA-N 0 2 308.363 1.242 20 30 DDEDLN C[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCN(C(=O)[O-])C1 ZINC000828120669 603535406 /nfs/dbraw/zinc/53/54/06/603535406.db2.gz TZEYFQBHGVTZED-SNVBAGLBSA-N 0 2 308.363 1.242 20 30 DDEDLN CC#CCN1CCO[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000972389470 695238101 /nfs/dbraw/zinc/23/81/01/695238101.db2.gz OBWIUSSXSFXWGF-DGCLKSJQSA-N 0 2 322.302 1.213 20 30 DDEDLN C=CCN(CCc1ccccc1)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000742592621 699882946 /nfs/dbraw/zinc/88/29/46/699882946.db2.gz UUGQSLCKBAVYJS-ZDUSSCGKSA-N 0 2 317.414 1.800 20 30 DDEDLN N#Cc1ccc(CNC(=O)C[C@@H]2SC(=N)NC2=O)cc1Cl ZINC000801523712 700317053 /nfs/dbraw/zinc/31/70/53/700317053.db2.gz JXZWIJZCXSIITK-JTQLQIEISA-N 0 2 322.777 1.384 20 30 DDEDLN COC(=O)c1coc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)c1 ZINC000760197442 700796967 /nfs/dbraw/zinc/79/69/67/700796967.db2.gz YHXFJXJOVXHGLM-JTQLQIEISA-N 0 2 313.269 1.422 20 30 DDEDLN CN(C)c1ccc2c(c1)NC(=O)C2=[NH+][N-]c1ncnc2[nH]cnc21 ZINC000761799384 700869556 /nfs/dbraw/zinc/86/95/56/700869556.db2.gz IIKHDWKYEWRVHP-UHFFFAOYSA-N 0 2 322.332 1.187 20 30 DDEDLN Cc1ccn2cc(C([O-])=C(C#N)C(=O)c3nccn3C)[nH+]c2c1 ZINC000770866546 701298356 /nfs/dbraw/zinc/29/83/56/701298356.db2.gz STPVMDZQKVOZCP-LLVKDONJSA-N 0 2 307.313 1.582 20 30 DDEDLN O=C(C(F)C(F)(F)F)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000811523095 701996806 /nfs/dbraw/zinc/99/68/06/701996806.db2.gz AMDVFOSCRCCWDU-XVMARJQXSA-N 0 2 311.197 1.906 20 30 DDEDLN O=C([C@H](F)C(F)(F)F)N1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000811523095 701996811 /nfs/dbraw/zinc/99/68/11/701996811.db2.gz AMDVFOSCRCCWDU-XVMARJQXSA-N 0 2 311.197 1.906 20 30 DDEDLN CC(C)(C)N1C[C@@H](C(=O)NOc2cccc(C#N)c2)CC1=O ZINC000870693319 704105097 /nfs/dbraw/zinc/10/50/97/704105097.db2.gz CCOMHVMRFLMQKH-LBPRGKRZSA-N 0 2 301.346 1.615 20 30 DDEDLN C[C@@H](C#N)CN(C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000858711413 704746829 /nfs/dbraw/zinc/74/68/29/704746829.db2.gz LSLGEUHPGOQHIV-QMMMGPOBSA-N 0 2 317.267 1.690 20 30 DDEDLN CC1(C#N)CN(C(=O)c2ccc(CNC(=O)C(F)(F)F)o2)C1 ZINC000861488295 705483386 /nfs/dbraw/zinc/48/33/86/705483386.db2.gz OBDJJPJYLNDVKV-UHFFFAOYSA-N 0 2 315.251 1.444 20 30 DDEDLN Cc1cc(C(C#N)C(=O)Cn2ncc3cccnc32)nc(C)n1 ZINC000873498238 707876064 /nfs/dbraw/zinc/87/60/64/707876064.db2.gz SRDYLPQGCOCHTB-ZDUSSCGKSA-N 0 2 306.329 1.715 20 30 DDEDLN Cc1cc([C@H](C#N)C(=O)Cn2ncc3cccnc32)nc(C)n1 ZINC000873498238 707876066 /nfs/dbraw/zinc/87/60/66/707876066.db2.gz SRDYLPQGCOCHTB-ZDUSSCGKSA-N 0 2 306.329 1.715 20 30 DDEDLN COC[C@H](C)NC(=S)NN=Cc1cc([N+](=O)[O-])ccc1O ZINC000916281552 713449510 /nfs/dbraw/zinc/44/95/10/713449510.db2.gz MVILTXFWSSYAPD-QMMMGPOBSA-N 0 2 312.351 1.133 20 30 DDEDLN C#CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3[nH]nc(C)c3[O-])C2)C1 ZINC000961135096 716826919 /nfs/dbraw/zinc/82/69/19/716826919.db2.gz VDPRLZCWYYMHSX-KBPBESRZSA-N 0 2 316.405 1.231 20 30 DDEDLN C#CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3[nH]nc(C)c3[O-])C2)C1 ZINC000961135096 716826923 /nfs/dbraw/zinc/82/69/23/716826923.db2.gz VDPRLZCWYYMHSX-KBPBESRZSA-N 0 2 316.405 1.231 20 30 DDEDLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)NC(=O)C#CC1CC1 ZINC001076857861 743054479 /nfs/dbraw/zinc/05/44/79/743054479.db2.gz YEXGKECEYIMKGG-KWQFWETISA-N 0 2 308.275 1.311 20 30 DDEDLN C[C@@H](CCNC(=O)[C@H](F)C(F)(F)F)NC(=O)C#CC1CC1 ZINC001076857861 743054481 /nfs/dbraw/zinc/05/44/81/743054481.db2.gz YEXGKECEYIMKGG-KWQFWETISA-N 0 2 308.275 1.311 20 30 DDEDLN N#CC1(NC(=O)C(F)(F)OCC(F)(F)F)CCOCC1 ZINC001183197233 743795089 /nfs/dbraw/zinc/79/50/89/743795089.db2.gz FQZRNWXCATURJA-UHFFFAOYSA-N 0 2 302.199 1.347 20 30 DDEDLN N#C[C@H]1C[C@H]1C(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001186976784 744481776 /nfs/dbraw/zinc/48/17/76/744481776.db2.gz FZBYASVLDWPRRX-VXNVDRBHSA-N 0 2 322.284 1.071 20 30 DDEDLN C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)C/C=C\Cl)C1 ZINC001190724967 745307349 /nfs/dbraw/zinc/30/73/49/745307349.db2.gz OIGYCMXLSPENQD-PNPSXAPQSA-N 0 2 309.841 1.369 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2cc3n(n2)CC(F)(F)CO3)c1O ZINC001193643136 746159980 /nfs/dbraw/zinc/15/99/80/746159980.db2.gz XGTCUAXYJUYYLM-UHFFFAOYSA-N 0 2 320.255 1.740 20 30 DDEDLN CCOC(=O)/C=C(/NC(=O)c1cccc(C#N)c1O)OCC ZINC001193660196 746168815 /nfs/dbraw/zinc/16/88/15/746168815.db2.gz VQOGSIRFUSZEGL-WQLSENKSSA-N 0 2 304.302 1.435 20 30 DDEDLN C[C@H]1[C@@H](NC(=O)c2cnn[nH]2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000993545569 746206427 /nfs/dbraw/zinc/20/64/27/746206427.db2.gz VYUBJWQVCCRUEO-WFASDCNBSA-N 0 2 324.388 1.459 20 30 DDEDLN C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H]1C ZINC000994214459 746489559 /nfs/dbraw/zinc/48/95/59/746489559.db2.gz UBJOULWAVAEVFV-QWRGUYRKSA-N 0 2 314.345 1.144 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H]1C ZINC000994214459 746489563 /nfs/dbraw/zinc/48/95/63/746489563.db2.gz UBJOULWAVAEVFV-QWRGUYRKSA-N 0 2 314.345 1.144 20 30 DDEDLN C=C[C@H](C)[C@@H](C)C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC001196853062 746990629 /nfs/dbraw/zinc/99/06/29/746990629.db2.gz GFGBRKZELHXDPT-NWDGAFQWSA-N 0 2 307.398 1.003 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)nn1)NC(=O)C(F)C(F)(F)F ZINC001108739972 762898389 /nfs/dbraw/zinc/89/83/89/762898389.db2.gz WPVSXLLKRJZLQX-RCOVLWMOSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@H](F)C(F)(F)F ZINC001108739972 762898393 /nfs/dbraw/zinc/89/83/93/762898393.db2.gz WPVSXLLKRJZLQX-RCOVLWMOSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001109274402 763536863 /nfs/dbraw/zinc/53/68/63/763536863.db2.gz DXOAEQXERPLFSU-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H](F)C(F)(F)F ZINC001109274402 763536867 /nfs/dbraw/zinc/53/68/67/763536867.db2.gz DXOAEQXERPLFSU-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001109343350 763589362 /nfs/dbraw/zinc/58/93/62/763589362.db2.gz VGRDRPCRCMWZEL-WOPDTQHZSA-N 0 2 319.409 1.334 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001109343350 763589371 /nfs/dbraw/zinc/58/93/71/763589371.db2.gz VGRDRPCRCMWZEL-WOPDTQHZSA-N 0 2 319.409 1.334 20 30 DDEDLN C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001109350873 763592051 /nfs/dbraw/zinc/59/20/51/763592051.db2.gz HPAMXJLETXYTHI-WOPDTQHZSA-N 0 2 305.382 1.088 20 30 DDEDLN C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001109350873 763592063 /nfs/dbraw/zinc/59/20/63/763592063.db2.gz HPAMXJLETXYTHI-WOPDTQHZSA-N 0 2 305.382 1.088 20 30 DDEDLN N#Cc1csc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC001157492549 765440773 /nfs/dbraw/zinc/44/07/73/765440773.db2.gz AUFRZLFGPQZECR-UHFFFAOYSA-N 0 2 304.287 1.559 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1cncc(C#N)n1 ZINC001113935069 766425564 /nfs/dbraw/zinc/42/55/64/766425564.db2.gz VJAPHDLZZBMTCI-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1cncc(C#N)n1 ZINC001113935069 766425570 /nfs/dbraw/zinc/42/55/70/766425570.db2.gz VJAPHDLZZBMTCI-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN CC[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001103340467 778801013 /nfs/dbraw/zinc/80/10/13/778801013.db2.gz DIBRBLCYTIPGPO-KOLCDFICSA-N 0 2 318.274 1.582 20 30 DDEDLN CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001103340467 778801017 /nfs/dbraw/zinc/80/10/17/778801017.db2.gz DIBRBLCYTIPGPO-KOLCDFICSA-N 0 2 318.274 1.582 20 30 DDEDLN N#CC[C@@H](C(=O)NOCCN1CCCC1=O)c1ccccc1 ZINC001149452046 861624695 /nfs/dbraw/zinc/62/46/95/861624695.db2.gz NGNPOCZMPNIIFQ-CQSZACIVSA-N 0 2 301.346 1.354 20 30 DDEDLN CNC(=O)c1cc(C)ccc1NC(=O)c1[nH]c(=O)c(C#N)cc1C ZINC001411821537 853782648 /nfs/dbraw/zinc/78/26/48/853782648.db2.gz FBTPVRJTYPYRNM-UHFFFAOYSA-N 0 2 324.340 1.888 20 30 DDEDLN C[C@H](NC(=O)C(F)(F)c1ccccc1C#N)c1nn(C)cc1O ZINC001412772040 855246304 /nfs/dbraw/zinc/24/63/04/855246304.db2.gz VIJKZHFBXXCUMP-VIFPVBQESA-N 0 2 320.299 1.967 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1nccnc1C#N ZINC001095758681 855323158 /nfs/dbraw/zinc/32/31/58/855323158.db2.gz RYKONNWJNVZZTG-VIFPVBQESA-N 0 2 319.262 1.191 20 30 DDEDLN CN(CCCNC(=O)[C@H](F)C(F)(F)F)c1nccnc1C#N ZINC001095758681 855323165 /nfs/dbraw/zinc/32/31/65/855323165.db2.gz RYKONNWJNVZZTG-VIFPVBQESA-N 0 2 319.262 1.191 20 30 DDEDLN C=C[C@](C)(CC)C(=O)NCC1=CC[N@H+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001333399999 866709090 /nfs/dbraw/zinc/70/90/90/866709090.db2.gz JRNQOSVSAWEDNM-MRXNPFEDSA-N 0 2 319.409 1.361 20 30 DDEDLN C=C[C@](C)(CC)C(=O)NCC1=CC[N@@H+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001333399999 866709102 /nfs/dbraw/zinc/70/91/02/866709102.db2.gz JRNQOSVSAWEDNM-MRXNPFEDSA-N 0 2 319.409 1.361 20 30 DDEDLN O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001299045519 870862808 /nfs/dbraw/zinc/86/28/08/870862808.db2.gz QYNNHYIVDOWCIC-ONGXEEELSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001299045519 870862816 /nfs/dbraw/zinc/86/28/16/870862816.db2.gz QYNNHYIVDOWCIC-ONGXEEELSA-N 0 2 306.259 1.017 20 30 DDEDLN C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N(C)C[C@H](C)C#N ZINC001343314108 872576814 /nfs/dbraw/zinc/57/68/14/872576814.db2.gz AUIYXFICYBJREY-SECBINFHSA-N 0 2 320.788 1.889 20 30 DDEDLN C[C@@H](C#C[Si](C)(C)C)Oc1[nH]c(=O)nnc1Br ZINC001227066364 882808190 /nfs/dbraw/zinc/80/81/90/882808190.db2.gz JGWPFGWMCZQBOD-ZETCQYMHSA-N 0 2 316.231 1.988 20 30 DDEDLN N#Cc1c[n-]n2c1nc(C[N@@H+]1CCOCC13CCCC3)cc2=O ZINC001413973848 879119717 /nfs/dbraw/zinc/11/97/17/879119717.db2.gz NWDMSNVJXGJSOF-UHFFFAOYSA-N 0 2 313.361 1.452 20 30 DDEDLN N#Cc1c[n-]n2c1nc(C[N@H+]1CCOCC13CCCC3)cc2=O ZINC001413973848 879119727 /nfs/dbraw/zinc/11/97/27/879119727.db2.gz NWDMSNVJXGJSOF-UHFFFAOYSA-N 0 2 313.361 1.452 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)N1C[C@@H](CO)c2ccccc21 ZINC001362898013 884918910 /nfs/dbraw/zinc/91/89/10/884918910.db2.gz BQSPDOLTZBPGEP-LBPRGKRZSA-N 0 2 309.325 1.704 20 30 DDEDLN C=CCOC(=O)N1CC[NH+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC001231465259 885684928 /nfs/dbraw/zinc/68/49/28/885684928.db2.gz HBOKFMPEYKXJFX-UHFFFAOYSA-N 0 2 310.375 1.887 20 30 DDEDLN CCSc1cc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)ccn1 ZINC001363736678 887104197 /nfs/dbraw/zinc/10/41/97/887104197.db2.gz ROSBRLIRGGDLDV-UHFFFAOYSA-N 0 2 317.374 1.064 20 30 DDEDLN CC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)o1)c1ccccc1F ZINC001365435176 890792490 /nfs/dbraw/zinc/79/24/90/890792490.db2.gz ZRSDXVYCWBMYGZ-AWEZNQCLSA-N 0 2 322.317 1.899 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2ncccc2CCO)c1 ZINC001259119054 898478556 /nfs/dbraw/zinc/47/85/56/898478556.db2.gz FGUBYNNDNDZQQI-UHFFFAOYSA-N 0 2 303.343 1.289 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CCC1=O ZINC001259309706 898605294 /nfs/dbraw/zinc/60/52/94/898605294.db2.gz UMEJYOJGEIOHRT-MRVPVSSYSA-N 0 2 300.286 1.068 20 30 DDEDLN C=CCS(=O)(=O)Nc1c(OC)ccc(OC)c1C(=O)OC ZINC001259931318 898947992 /nfs/dbraw/zinc/94/79/92/898947992.db2.gz DNDAXBLJATYPEO-UHFFFAOYSA-N 0 2 315.347 1.418 20 30 DDEDLN C[C@@H](C#N)C(=O)NCCCN(C(=O)C(F)C(F)(F)F)C1CC1 ZINC001294634241 915259110 /nfs/dbraw/zinc/25/91/10/915259110.db2.gz JIMPZXPBPMCSLL-WPRPVWTQSA-N 0 2 323.290 1.544 20 30 DDEDLN C[C@@H](C#N)C(=O)NCCCN(C(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001294634241 915259128 /nfs/dbraw/zinc/25/91/28/915259128.db2.gz JIMPZXPBPMCSLL-WPRPVWTQSA-N 0 2 323.290 1.544 20 30 DDEDLN CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001375317259 915575930 /nfs/dbraw/zinc/57/59/30/915575930.db2.gz BDNPMMPHJAZEEK-SWLSCSKDSA-N 0 2 320.462 1.650 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)NC(=O)c1cc(C#N)c[nH]1 ZINC001377520303 922208480 /nfs/dbraw/zinc/20/84/80/922208480.db2.gz MXSCWPACQWZXPP-IMTBSYHQSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)NC(=O)c1cc(C#N)c[nH]1 ZINC001377520303 922208494 /nfs/dbraw/zinc/20/84/94/922208494.db2.gz MXSCWPACQWZXPP-IMTBSYHQSA-N 0 2 320.246 1.021 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC3(CCC3)C2)cc1C#N ZINC000163273918 295672504 /nfs/dbraw/zinc/67/25/04/295672504.db2.gz CXJJDWATFNBPHY-UHFFFAOYSA-N 0 2 303.387 1.985 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1C#N ZINC000440026022 295688951 /nfs/dbraw/zinc/68/89/51/295688951.db2.gz JTCJHFIWKXQLDR-WCQGTBRESA-N 0 2 319.386 1.678 20 30 DDEDLN CCc1cc(NS(=O)(=O)c2cccc(CC#N)c2)n(C)n1 ZINC000589585082 355002927 /nfs/dbraw/zinc/00/29/27/355002927.db2.gz OUJJURVBWKEDJH-UHFFFAOYSA-N 0 2 304.375 1.849 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N2CCC[C@@H](CC#N)C2)c1 ZINC000597900863 357377556 /nfs/dbraw/zinc/37/75/56/357377556.db2.gz FIEISKGLVBVHGL-WHEQGISXSA-N 0 2 320.414 1.955 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CO[C@@H](C3CC3)C2)cc1C#N ZINC000600518471 358246992 /nfs/dbraw/zinc/24/69/92/358246992.db2.gz GSVDDTMRMAXFPP-CMPLNLGQSA-N 0 2 319.386 1.678 20 30 DDEDLN CO[C@@H](C)CS(=O)(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000193325697 201031623 /nfs/dbraw/zinc/03/16/23/201031623.db2.gz GAVQLBFJBGPIOV-QMMMGPOBSA-N 0 2 320.317 1.936 20 30 DDEDLN C=CCOCCCNC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000622171965 365308581 /nfs/dbraw/zinc/30/85/81/365308581.db2.gz ZCLJOIIHLSZKKE-UHFFFAOYSA-N 0 2 301.346 1.966 20 30 DDEDLN N#Cc1nc(NC(=O)CNC(=O)CCC2CCCC2)[nH]c1C#N ZINC000102467546 193890322 /nfs/dbraw/zinc/89/03/22/193890322.db2.gz CWLJRYVAMWCHLZ-UHFFFAOYSA-N 0 2 314.349 1.178 20 30 DDEDLN CCCCN(CCOC)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000109698846 194279637 /nfs/dbraw/zinc/27/96/37/194279637.db2.gz RHUVDPUITSSXGV-UHFFFAOYSA-N 0 2 323.418 1.857 20 30 DDEDLN COCC1(C#N)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436739883 292207920 /nfs/dbraw/zinc/20/79/20/292207920.db2.gz QTWRHTPQMXWACR-UHFFFAOYSA-N 0 2 319.317 1.693 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1nccc(C)n1 ZINC000185699222 407479656 /nfs/dbraw/zinc/47/96/56/407479656.db2.gz JOUMBIYEQUYARE-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN COc1ccc(OC)c(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000128274426 407517362 /nfs/dbraw/zinc/51/73/62/407517362.db2.gz DBNXRNCZBHGVGQ-UHFFFAOYSA-N 0 2 311.301 1.351 20 30 DDEDLN C=CCCOCCNC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000129614868 407619186 /nfs/dbraw/zinc/61/91/86/407619186.db2.gz CRXRYWQOKBXPIN-UHFFFAOYSA-N 0 2 301.346 1.966 20 30 DDEDLN COc1cccc(OC)c1CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000153247305 407785027 /nfs/dbraw/zinc/78/50/27/407785027.db2.gz QWGRBXQHADOCCN-UHFFFAOYSA-N 0 2 311.301 1.351 20 30 DDEDLN N#CCCn1ccc(NC(=O)C2=NN(c3ccccc3)CC2=O)n1 ZINC000173698869 407893749 /nfs/dbraw/zinc/89/37/49/407893749.db2.gz PLVQCWOMVYDEIF-UHFFFAOYSA-N 0 2 322.328 1.940 20 30 DDEDLN C=C(C)COCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000119647421 408104671 /nfs/dbraw/zinc/10/46/71/408104671.db2.gz YFFQIDXLIGZPOJ-UHFFFAOYSA-N 0 2 307.375 1.291 20 30 DDEDLN CC(C)(C)c1nc(NS(=O)(=O)c2ccc(C#N)nc2)no1 ZINC000182942850 408288074 /nfs/dbraw/zinc/28/80/74/408288074.db2.gz PPQMTWWZVQYCNZ-UHFFFAOYSA-N 0 2 307.335 1.435 20 30 DDEDLN Cc1ccc(S(=O)(=O)Nc2c(C#N)cnn2C)cc1[N+](=O)[O-] ZINC000178310906 408804390 /nfs/dbraw/zinc/80/43/90/408804390.db2.gz ZKFFMQMXMSKCQE-UHFFFAOYSA-N 0 2 321.318 1.309 20 30 DDEDLN CCOC(=O)[C@@H](CCOC)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000280927341 408860001 /nfs/dbraw/zinc/86/00/01/408860001.db2.gz FQISAFWHCCBMGQ-KMHUVPDISA-N 0 2 310.306 1.688 20 30 DDEDLN COCCOc1ccc(C#N)cc1NS(=O)(=O)c1cn[nH]c1 ZINC000342461940 409649414 /nfs/dbraw/zinc/64/94/14/409649414.db2.gz XFCPDWJYKQGLJN-UHFFFAOYSA-N 0 2 322.346 1.107 20 30 DDEDLN N#CC(C(=O)c1cn(Cc2cccc(F)c2)nn1)c1ccncn1 ZINC000354467902 409881302 /nfs/dbraw/zinc/88/13/02/409881302.db2.gz OLKUBDMDYYFLQL-CYBMUJFWSA-N 0 2 322.303 1.746 20 30 DDEDLN N#C[C@@H](C(=O)c1cn(Cc2cccc(F)c2)nn1)c1ccncn1 ZINC000354467902 409881308 /nfs/dbraw/zinc/88/13/08/409881308.db2.gz OLKUBDMDYYFLQL-CYBMUJFWSA-N 0 2 322.303 1.746 20 30 DDEDLN Cc1onc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C#N ZINC000354598990 409962897 /nfs/dbraw/zinc/96/28/97/409962897.db2.gz CLAWBJBZBIZBQG-UHFFFAOYSA-N 0 2 302.246 1.650 20 30 DDEDLN COc1c(C(=O)N=c2[nH][nH]c(C)c2C#N)cccc1[N+](=O)[O-] ZINC000357234721 409948316 /nfs/dbraw/zinc/94/83/16/409948316.db2.gz ATPMPMZLDGHOIU-UHFFFAOYSA-N 0 2 301.262 1.759 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC(=O)[C@H](C)C2)cc1C#N ZINC000329247889 410189140 /nfs/dbraw/zinc/18/91/40/410189140.db2.gz ADFAFFSXJQWJML-MRVPVSSYSA-N 0 2 305.359 1.432 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2cn[nH]c2)cc1C#N ZINC000339966252 410583408 /nfs/dbraw/zinc/58/34/08/410583408.db2.gz REPZNHXGWPNCCS-ZETCQYMHSA-N 0 2 303.347 1.595 20 30 DDEDLN Cn1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C#N ZINC000372816463 418905532 /nfs/dbraw/zinc/90/55/32/418905532.db2.gz UJZQJVHDQOTZQD-MRXNPFEDSA-N 0 2 301.438 1.109 20 30 DDEDLN C=CC[C@@H](CO)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632207905 422164503 /nfs/dbraw/zinc/16/45/03/422164503.db2.gz PTSLAHJNROPFIF-QMMMGPOBSA-N 0 2 306.771 1.421 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC2(C3CC3)CC2)cc1C#N ZINC000120616735 263338822 /nfs/dbraw/zinc/33/88/22/263338822.db2.gz DZQQTHBPVHBWSR-UHFFFAOYSA-N 0 2 303.387 1.888 20 30 DDEDLN COCC(C)(C)N(C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000345509338 272269196 /nfs/dbraw/zinc/26/91/96/272269196.db2.gz ZVLKFSLPGCLIFA-UHFFFAOYSA-N 0 2 309.391 1.878 20 30 DDEDLN COc1ccc2c(c1)C[C@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)CO2 ZINC000128047150 295261817 /nfs/dbraw/zinc/26/18/17/295261817.db2.gz HSLCVJICTXAVAA-JTQLQIEISA-N 0 2 323.312 1.351 20 30 DDEDLN Cc1cc(C(=O)N[C@@]2(C#N)CC2(C)C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000291424579 301142727 /nfs/dbraw/zinc/14/27/27/301142727.db2.gz LALCFTOPKCWHDA-OAHLLOKOSA-N 0 2 313.317 1.167 20 30 DDEDLN COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000565170437 308022878 /nfs/dbraw/zinc/02/28/78/308022878.db2.gz LARMQYOPDLAXQV-PBHICJAKSA-N 0 2 305.422 1.490 20 30 DDEDLN C=C(C)[C@H](CC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)OCC ZINC000412324940 526808332 /nfs/dbraw/zinc/80/83/32/526808332.db2.gz RJGBQXBTRRIIDL-RYUDHWBXSA-N 0 2 308.382 1.588 20 30 DDEDLN CCO[C@H]1C[C@@]([NH2+]Cc2nc(C#N)cs2)(C(=O)[O-])C1(C)C ZINC000417574811 528121824 /nfs/dbraw/zinc/12/18/24/528121824.db2.gz FARMQUZDGCQXCC-IINYFYTJSA-N 0 2 309.391 1.763 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(C(=O)OC)c(F)c1 ZINC000416946731 529270904 /nfs/dbraw/zinc/27/09/04/529270904.db2.gz GJXOEJRHWOIACG-VIFPVBQESA-N 0 2 300.311 1.656 20 30 DDEDLN Cc1[nH+]c(C(=O)[O-])cn1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000832995912 601637731 /nfs/dbraw/zinc/63/77/31/601637731.db2.gz KUEBQZLYKJEIOO-UHFFFAOYSA-N 0 2 309.285 1.860 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)CC#N ZINC000831918484 602348557 /nfs/dbraw/zinc/34/85/57/602348557.db2.gz NHANNCWSBQCGLD-AAEUAGOBSA-N 0 2 322.361 1.367 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+](C)[C@@H](C)CC#N ZINC000831918484 602348559 /nfs/dbraw/zinc/34/85/59/602348559.db2.gz NHANNCWSBQCGLD-AAEUAGOBSA-N 0 2 322.361 1.367 20 30 DDEDLN C=C(C)C[N@@H+](C)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000833368409 605389215 /nfs/dbraw/zinc/38/92/15/605389215.db2.gz HIUGXMSUFFAWPL-UHFFFAOYSA-N 0 2 307.375 1.999 20 30 DDEDLN C=C(C)C[N@H+](C)Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000833368409 605389224 /nfs/dbraw/zinc/38/92/24/605389224.db2.gz HIUGXMSUFFAWPL-UHFFFAOYSA-N 0 2 307.375 1.999 20 30 DDEDLN Cc1ccc(C=Nn2c(C)cc(C)c(-c3nn[nH]n3)c2=O)nc1 ZINC000822233633 606777110 /nfs/dbraw/zinc/77/71/10/606777110.db2.gz SEVMHLARXGFUGB-UHFFFAOYSA-N 0 2 309.333 1.231 20 30 DDEDLN CC#CCN1CCO[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000972389472 695238145 /nfs/dbraw/zinc/23/81/45/695238145.db2.gz OBWIUSSXSFXWGF-YPMHNXCESA-N 0 2 322.302 1.213 20 30 DDEDLN Cc1csc(C(C#N)C(=O)CSc2ncc(CO)n2C)n1 ZINC000750005322 700197972 /nfs/dbraw/zinc/19/79/72/700197972.db2.gz NGCCLGTZUVHFQT-SNVBAGLBSA-N 0 2 322.415 1.646 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)Cc2cnn(C)c2)n1 ZINC000726326858 699360461 /nfs/dbraw/zinc/36/04/61/699360461.db2.gz OFEZYIZPBGETDR-SNVBAGLBSA-N 0 2 318.358 1.472 20 30 DDEDLN CCCCCCCCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000730524308 699511789 /nfs/dbraw/zinc/51/17/89/699511789.db2.gz QWBIMXLJMRXZEF-UHFFFAOYSA-N 0 2 319.409 1.938 20 30 DDEDLN C=CCN(CCc1ccccc1)C(=O)C[C@H]1SC(=N)NC1=O ZINC000742592620 699882884 /nfs/dbraw/zinc/88/28/84/699882884.db2.gz UUGQSLCKBAVYJS-CYBMUJFWSA-N 0 2 317.414 1.800 20 30 DDEDLN N#CCCN(Cc1ccco1)C(=O)C[C@H]1SC(=N)NC1=O ZINC000742604658 699883359 /nfs/dbraw/zinc/88/33/59/699883359.db2.gz VCFDSKKHNVAZAL-SNVBAGLBSA-N 0 2 306.347 1.078 20 30 DDEDLN N#Cc1cc(F)cc(C2(C(=O)NOC[C@H]3CCOC3)CC2)c1 ZINC000803171494 701087201 /nfs/dbraw/zinc/08/72/01/701087201.db2.gz XVLYBPDZDDNSIV-NSHDSACASA-N 0 2 304.321 1.813 20 30 DDEDLN CSCCNC(=S)NN=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000769598234 701249879 /nfs/dbraw/zinc/24/98/79/701249879.db2.gz FGWKFIXEYVZDMS-UHFFFAOYSA-N 0 2 314.392 1.461 20 30 DDEDLN O=C(C(F)C(F)(F)F)N(CCO)CCOCC(F)(F)F ZINC000815841441 701947660 /nfs/dbraw/zinc/94/76/60/701947660.db2.gz GMUSZWSGPWHDBC-ZCFIWIBFSA-N 0 2 315.185 1.287 20 30 DDEDLN O=C([C@@H](F)C(F)(F)F)N(CCO)CCOCC(F)(F)F ZINC000815841441 701947663 /nfs/dbraw/zinc/94/76/63/701947663.db2.gz GMUSZWSGPWHDBC-ZCFIWIBFSA-N 0 2 315.185 1.287 20 30 DDEDLN C=CCCC(C)(C)CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000870282263 703984533 /nfs/dbraw/zinc/98/45/33/703984533.db2.gz CPHZNNOBAABYFN-UHFFFAOYSA-N 0 2 303.366 1.180 20 30 DDEDLN N#CCC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC000870769951 704127457 /nfs/dbraw/zinc/12/74/57/704127457.db2.gz OIHCWWKLSNHDPS-UHFFFAOYSA-N 0 2 303.215 1.856 20 30 DDEDLN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CC[C@H](C(N)=O)O3)nc21 ZINC000860555347 705219780 /nfs/dbraw/zinc/21/97/80/705219780.db2.gz IQKBBFGZUSHNJJ-ZMLRMANQSA-N 0 2 312.329 1.081 20 30 DDEDLN Cc1cccc2[nH]c([C@@H](C#N)C(=O)[C@@H]3CC[C@H](C(N)=O)O3)nc21 ZINC000860555347 705219783 /nfs/dbraw/zinc/21/97/83/705219783.db2.gz IQKBBFGZUSHNJJ-ZMLRMANQSA-N 0 2 312.329 1.081 20 30 DDEDLN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CC[C@H](C(N)=O)O3)[nH]c21 ZINC000860555347 705219787 /nfs/dbraw/zinc/21/97/87/705219787.db2.gz IQKBBFGZUSHNJJ-ZMLRMANQSA-N 0 2 312.329 1.081 20 30 DDEDLN COc1ccc(C(=O)[O-])cc1C=NNCCCn1cc[nH+]c1 ZINC000901261190 709988134 /nfs/dbraw/zinc/98/81/34/709988134.db2.gz CWHWHFNWPVXZTF-UHFFFAOYSA-N 0 2 302.334 1.604 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC000892863251 710514877 /nfs/dbraw/zinc/51/48/77/710514877.db2.gz HVGWWFDJUCOIGS-VXGBXAGGSA-N 0 2 303.362 1.907 20 30 DDEDLN C=CCC1(C(=O)NOCCOC)CN(C(=O)OC(C)(C)C)C1 ZINC000906908833 712435736 /nfs/dbraw/zinc/43/57/36/712435736.db2.gz BYCYQLXBNBIRNK-UHFFFAOYSA-N 0 2 314.382 1.494 20 30 DDEDLN O=S1(=O)CC[C@H](NN=Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000916239683 713448185 /nfs/dbraw/zinc/44/81/85/713448185.db2.gz HBHKTHHOJUEYDY-VIFPVBQESA-N 0 2 323.201 1.810 20 30 DDEDLN C#CCC[NH+]1CC([C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969672829 720244511 /nfs/dbraw/zinc/24/45/11/720244511.db2.gz FUXYTMWAMAHOJJ-CQSZACIVSA-N 0 2 310.401 1.716 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)CNc1ccc(C#N)nn1 ZINC001104237245 732736138 /nfs/dbraw/zinc/73/61/38/732736138.db2.gz ULOYGWPFRSMJDX-XCBNKYQSSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)CNc1ccc(C#N)nn1 ZINC001104237245 732736141 /nfs/dbraw/zinc/73/61/41/732736141.db2.gz ULOYGWPFRSMJDX-XCBNKYQSSA-N 0 2 319.262 1.413 20 30 DDEDLN C#CCCCC(=O)N[C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001076856979 743052448 /nfs/dbraw/zinc/05/24/48/743052448.db2.gz ICFNSGOKNVTEHQ-GXSJLCMTSA-N 0 2 310.291 1.701 20 30 DDEDLN C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001076856979 743052453 /nfs/dbraw/zinc/05/24/53/743052453.db2.gz ICFNSGOKNVTEHQ-GXSJLCMTSA-N 0 2 310.291 1.701 20 30 DDEDLN CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001076856838 743052584 /nfs/dbraw/zinc/05/25/84/743052584.db2.gz FKVLRMBJOSPHRR-ONGXEEELSA-N 0 2 310.291 1.557 20 30 DDEDLN CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001076856838 743052590 /nfs/dbraw/zinc/05/25/90/743052590.db2.gz FKVLRMBJOSPHRR-ONGXEEELSA-N 0 2 310.291 1.557 20 30 DDEDLN C=C[C@H]1C[C@@]1(NC(=O)c1cc(F)c(O)cc1F)C(=O)OCC ZINC001192877128 745910747 /nfs/dbraw/zinc/91/07/47/745910747.db2.gz QBFFODFMGGUIJS-AYVTZFPOSA-N 0 2 311.284 1.908 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)[nH]n1 ZINC001194278437 746316259 /nfs/dbraw/zinc/31/62/59/746316259.db2.gz AVJBZVOXIRAKRR-UHFFFAOYSA-N 0 2 316.342 1.870 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2sc3c(c2C#N)CCC3)n[nH]1 ZINC001194278437 746316265 /nfs/dbraw/zinc/31/62/65/746316265.db2.gz AVJBZVOXIRAKRR-UHFFFAOYSA-N 0 2 316.342 1.870 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cc(C#N)c(F)cc2O)cn1 ZINC001195724310 746686549 /nfs/dbraw/zinc/68/65/49/746686549.db2.gz GSZCKURSEXEVQJ-UHFFFAOYSA-N 0 2 323.305 1.607 20 30 DDEDLN C#CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001054037960 759095683 /nfs/dbraw/zinc/09/56/83/759095683.db2.gz RTQUZYKOLOZZTG-OAHLLOKOSA-N 0 2 324.384 1.214 20 30 DDEDLN C#CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001054037960 759095692 /nfs/dbraw/zinc/09/56/92/759095692.db2.gz RTQUZYKOLOZZTG-OAHLLOKOSA-N 0 2 324.384 1.214 20 30 DDEDLN CNc1cc([N+](=O)[O-])cnc1Nc1c(C#N)cnn1C(=O)OC ZINC001169964808 762779040 /nfs/dbraw/zinc/77/90/40/762779040.db2.gz JXOKLHVFOVWRDI-UHFFFAOYSA-N 0 2 317.265 1.458 20 30 DDEDLN C[C@H](CN(C)c1nccnc1C#N)NC(=O)C(F)C(F)(F)F ZINC001109275649 763537070 /nfs/dbraw/zinc/53/70/70/763537070.db2.gz SWZXMURXVNIEMO-APPZFPTMSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001109275649 763537074 /nfs/dbraw/zinc/53/70/74/763537074.db2.gz SWZXMURXVNIEMO-APPZFPTMSA-N 0 2 319.262 1.190 20 30 DDEDLN C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001109772435 764022545 /nfs/dbraw/zinc/02/25/45/764022545.db2.gz MLVTYLGUVHPMCJ-WCVJEAGWSA-N 0 2 300.406 1.579 20 30 DDEDLN CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132234884 768688342 /nfs/dbraw/zinc/68/83/42/768688342.db2.gz GTWFTYWVHQBASY-OLZOCXBDSA-N 0 2 319.409 1.173 20 30 DDEDLN CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132234884 768688345 /nfs/dbraw/zinc/68/83/45/768688345.db2.gz GTWFTYWVHQBASY-OLZOCXBDSA-N 0 2 319.409 1.173 20 30 DDEDLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001099742029 775209541 /nfs/dbraw/zinc/20/95/41/775209541.db2.gz GNYHTYFTELCCTD-IONNQARKSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001099742029 775209545 /nfs/dbraw/zinc/20/95/45/775209545.db2.gz GNYHTYFTELCCTD-IONNQARKSA-N 0 2 319.262 1.555 20 30 DDEDLN CN(CCNc1nccnc1C#N)C(=O)C(F)C(F)(F)F ZINC001102003248 777786180 /nfs/dbraw/zinc/78/61/80/777786180.db2.gz QFRCLUXQGBZHRG-QMMMGPOBSA-N 0 2 305.235 1.119 20 30 DDEDLN CN(CCNc1nccnc1C#N)C(=O)[C@H](F)C(F)(F)F ZINC001102003248 777786190 /nfs/dbraw/zinc/78/61/90/777786190.db2.gz QFRCLUXQGBZHRG-QMMMGPOBSA-N 0 2 305.235 1.119 20 30 DDEDLN CC[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001103341174 778801437 /nfs/dbraw/zinc/80/14/37/778801437.db2.gz VWDSDDGDUJLKCI-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001103341174 778801440 /nfs/dbraw/zinc/80/14/40/778801440.db2.gz VWDSDDGDUJLKCI-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(Cl)s1 ZINC001412882409 855750853 /nfs/dbraw/zinc/75/08/53/855750853.db2.gz OSLXATXPIPXPJV-LURJTMIESA-N 0 2 310.766 1.833 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001073079797 858074707 /nfs/dbraw/zinc/07/47/07/858074707.db2.gz RZVNMKCOMNUYPX-DTWKUNHWSA-N 0 2 323.290 1.544 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001073079797 858074698 /nfs/dbraw/zinc/07/46/98/858074698.db2.gz RZVNMKCOMNUYPX-DTWKUNHWSA-N 0 2 323.290 1.544 20 30 DDEDLN C=CCO[C@H]1CCN(c2nnc(-c3n[nH]c(Cl)n3)n2CC)C1 ZINC001121770773 858593021 /nfs/dbraw/zinc/59/30/21/858593021.db2.gz SPWUTVLEGNPOTD-VIFPVBQESA-N 0 2 323.788 1.518 20 30 DDEDLN COC(=O)c1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cn1C ZINC001139368196 860372625 /nfs/dbraw/zinc/37/26/25/860372625.db2.gz BFPCICSIWDSDOW-CYBMUJFWSA-N 0 2 306.387 1.586 20 30 DDEDLN CCOC(=O)C[C@H](Oc1[nH]c(=O)cc(C)c1C#N)C(=O)OCC ZINC001226220971 882289420 /nfs/dbraw/zinc/28/94/20/882289420.db2.gz DJMKQPAVIGRTDF-NSHDSACASA-N 0 2 322.317 1.231 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2ccc(Cl)cc2[N+](=O)[O-])c1=O ZINC001166382487 869976406 /nfs/dbraw/zinc/97/64/06/869976406.db2.gz CYMFSEYZIFFQBW-UHFFFAOYSA-N 0 2 306.665 1.018 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC001361839879 882475094 /nfs/dbraw/zinc/47/50/94/882475094.db2.gz QNCNRPNSBDVCDN-UHFFFAOYSA-N 0 2 324.296 1.551 20 30 DDEDLN N#C[C@H](C(=O)Cn1nnc2ccccc2c1=O)c1cccc(F)n1 ZINC001342559606 872266851 /nfs/dbraw/zinc/26/68/51/872266851.db2.gz AUZABOPUKOANEJ-NSHDSACASA-N 0 2 323.287 1.202 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001344059629 872847497 /nfs/dbraw/zinc/84/74/97/872847497.db2.gz VEXAOZODZDQVEZ-CHWFTXMASA-N 0 2 307.300 1.993 20 30 DDEDLN C#CCCCCCC(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208315116 873995555 /nfs/dbraw/zinc/99/55/55/873995555.db2.gz LFUWURFWCOAWHD-CHWSQXEVSA-N 0 2 319.409 1.031 20 30 DDEDLN C#CCCCCCC(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208315116 873995566 /nfs/dbraw/zinc/99/55/66/873995566.db2.gz LFUWURFWCOAWHD-CHWSQXEVSA-N 0 2 319.409 1.031 20 30 DDEDLN COCCn1cc(C(=O)C(C#N)c2nc3ccccc3n2C)nn1 ZINC001355936417 878786075 /nfs/dbraw/zinc/78/60/75/878786075.db2.gz VSRQOZAHEYYTSZ-LLVKDONJSA-N 0 2 324.344 1.301 20 30 DDEDLN COCCn1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)nn1 ZINC001355936417 878786093 /nfs/dbraw/zinc/78/60/93/878786093.db2.gz VSRQOZAHEYYTSZ-LLVKDONJSA-N 0 2 324.344 1.301 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC(C#N)CC1 ZINC001356152431 878892868 /nfs/dbraw/zinc/89/28/68/878892868.db2.gz DIQQVZUWRZFJGG-UHFFFAOYSA-N 0 2 318.772 1.643 20 30 DDEDLN CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1nc(OC)cc(=O)[nH]1 ZINC001228918426 883730056 /nfs/dbraw/zinc/73/00/56/883730056.db2.gz PHAQVAJCMPKRAD-SNVBAGLBSA-N 0 2 324.409 1.382 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1=CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001288434542 912898630 /nfs/dbraw/zinc/89/86/30/912898630.db2.gz YWMREGJRKRRTLE-WCBMZHEXSA-N 0 2 321.274 1.321 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1=CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001288434542 912898646 /nfs/dbraw/zinc/89/86/46/912898646.db2.gz YWMREGJRKRRTLE-WCBMZHEXSA-N 0 2 321.274 1.321 20 30 DDEDLN CCCC[C@H](CNC(=O)c1[nH]ncc1F)NC(=O)[C@@H](C)C#N ZINC001383225645 885437243 /nfs/dbraw/zinc/43/72/43/885437243.db2.gz DQYZQPAREAKNPB-VHSXEESVSA-N 0 2 309.345 1.113 20 30 DDEDLN Cc1cc(F)c(C#N)c(NCc2nnc(CS(C)(=O)=O)[nH]2)c1 ZINC001363169164 885630140 /nfs/dbraw/zinc/63/01/40/885630140.db2.gz RGYSISUODZFGEW-UHFFFAOYSA-N 0 2 323.353 1.281 20 30 DDEDLN N#Cc1ccc(C(=O)NCC2=NC(=O)CC(=O)N2)cc1Cl ZINC001363489148 886472787 /nfs/dbraw/zinc/47/27/87/886472787.db2.gz ZJKDAZXMRSREMH-UHFFFAOYSA-N 0 2 304.693 1.343 20 30 DDEDLN N#Cc1ccc(C(=O)NCc2nc(O)cc(=O)[nH]2)cc1Cl ZINC001363489148 886472795 /nfs/dbraw/zinc/47/27/95/886472795.db2.gz ZJKDAZXMRSREMH-UHFFFAOYSA-N 0 2 304.693 1.343 20 30 DDEDLN COc1ncc(F)cc1NS(=O)(=O)c1ccccc1C#N ZINC001258208539 898108504 /nfs/dbraw/zinc/10/85/04/898108504.db2.gz TWRUIIKMEMEQCL-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2)CCC1=O ZINC001259238337 898541265 /nfs/dbraw/zinc/54/12/65/898541265.db2.gz KJKZFDCHVQTKLZ-NSHDSACASA-N 0 2 312.778 1.584 20 30 DDEDLN COc1cc(C#N)cc(NS(=O)(=O)c2c(C)n[nH]c2C)c1 ZINC001261030327 899331732 /nfs/dbraw/zinc/33/17/32/899331732.db2.gz CMWVIGZFZWXXOA-UHFFFAOYSA-N 0 2 306.347 1.708 20 30 DDEDLN CSC[C@H]1CCCN1C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000157760807 290732991 /nfs/dbraw/zinc/73/29/91/290732991.db2.gz JEHLWTAVSBNHOP-SNVBAGLBSA-N 0 2 323.443 1.936 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)c2cnn(C)c2C)n1 ZINC000067895722 353073679 /nfs/dbraw/zinc/07/36/79/353073679.db2.gz KZQLMHKQRPMWLF-SECBINFHSA-N 0 2 318.358 1.852 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)c2cn(C)nc2C)n1 ZINC000073091857 353236890 /nfs/dbraw/zinc/23/68/90/353236890.db2.gz WMLLOAGAVBGUCP-SECBINFHSA-N 0 2 318.358 1.852 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cn(C)nc2C)n1 ZINC000073091857 353236893 /nfs/dbraw/zinc/23/68/93/353236893.db2.gz WMLLOAGAVBGUCP-SECBINFHSA-N 0 2 318.358 1.852 20 30 DDEDLN COCCn1cc(NS(=O)(=O)c2ccc(C#N)cc2F)cn1 ZINC000158057998 354228366 /nfs/dbraw/zinc/22/83/66/354228366.db2.gz XUUOUGMPTREXJP-UHFFFAOYSA-N 0 2 324.337 1.341 20 30 DDEDLN CO[C@H](CS(=O)(=O)Nc1ccn(CCC#N)n1)C(C)C ZINC000592350771 355565301 /nfs/dbraw/zinc/56/53/01/355565301.db2.gz GMFNMVCPCVHIKE-LLVKDONJSA-N 0 2 300.384 1.209 20 30 DDEDLN N#Cc1ccc(O[C@@H]2CCN(c3ccc(C(=O)[O-])c[nH+]3)C2)nc1 ZINC000592421457 355578349 /nfs/dbraw/zinc/57/83/49/355578349.db2.gz QILNYLRGPQWNRM-CYBMUJFWSA-N 0 2 310.313 1.704 20 30 DDEDLN CC(C)n1cnc(NS(=O)(=O)Cc2ccc(CC#N)cc2)n1 ZINC000593283451 355844325 /nfs/dbraw/zinc/84/43/25/355844325.db2.gz HHIQTGVYILSPEF-UHFFFAOYSA-N 0 2 319.390 1.867 20 30 DDEDLN COCCN(CCC#N)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000610491797 360451321 /nfs/dbraw/zinc/45/13/21/360451321.db2.gz KVFXINHENONWSI-UHFFFAOYSA-N 0 2 314.345 1.580 20 30 DDEDLN Cc1cc([C@H](C#N)C(=O)c2cc(OC(F)F)n(C)n2)nc(C)n1 ZINC000343932091 223328624 /nfs/dbraw/zinc/32/86/24/223328624.db2.gz VCGLYOZOKAAELR-VIFPVBQESA-N 0 2 321.287 1.918 20 30 DDEDLN Cc1sc(NC(=O)C[N@@H+](C)C(C)(C)C(=O)[O-])c(C#N)c1C ZINC000061172560 184163973 /nfs/dbraw/zinc/16/39/73/184163973.db2.gz FJBGNBLNSLCCQJ-UHFFFAOYSA-N 0 2 309.391 1.970 20 30 DDEDLN Cc1sc(NC(=O)C[N@H+](C)C(C)(C)C(=O)[O-])c(C#N)c1C ZINC000061172560 184163974 /nfs/dbraw/zinc/16/39/74/184163974.db2.gz FJBGNBLNSLCCQJ-UHFFFAOYSA-N 0 2 309.391 1.970 20 30 DDEDLN CCCCCCCS(=O)(=O)Nc1cnc(C(=O)OC)cn1 ZINC000282246554 409017989 /nfs/dbraw/zinc/01/79/89/409017989.db2.gz GEYOFAHGEWFFRK-UHFFFAOYSA-N 0 2 315.395 1.975 20 30 DDEDLN Cc1nn(C)cc1S(=O)(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000288516138 409170110 /nfs/dbraw/zinc/17/01/10/409170110.db2.gz NIUPMXZKVDPBCT-JTQLQIEISA-N 0 2 320.374 1.820 20 30 DDEDLN CNC(=O)C[C@@H]1S/C(=N/c2ccccc2)N(CCF)C1=O ZINC000280606191 409377389 /nfs/dbraw/zinc/37/73/89/409377389.db2.gz PXLIIXBHBNJSAA-QRAHRUOTSA-N 0 2 309.366 1.724 20 30 DDEDLN CNC(=O)CC1S/C(=N/c2ccccc2)N(CCF)C1=O ZINC000280606191 409377395 /nfs/dbraw/zinc/37/73/95/409377395.db2.gz PXLIIXBHBNJSAA-QRAHRUOTSA-N 0 2 309.366 1.724 20 30 DDEDLN COc1cc(OC)nc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000318656794 164032185 /nfs/dbraw/zinc/03/21/85/164032185.db2.gz BNQLKOVELQKXHX-UHFFFAOYSA-N 0 2 320.330 1.166 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCOCC2CC2)cc1C#N ZINC000342101995 409561493 /nfs/dbraw/zinc/56/14/93/409561493.db2.gz YQWFNMNOGNKMGH-UHFFFAOYSA-N 0 2 307.375 1.537 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@H]2CCN(c3ccccc3)[C@H]2C)c1C#N ZINC000357243985 409953213 /nfs/dbraw/zinc/95/32/13/409953213.db2.gz OCDMEWNOXFBZLE-JSGCOSHPSA-N 0 2 309.373 2.443 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c1C#N ZINC000357226167 409949131 /nfs/dbraw/zinc/94/91/31/409949131.db2.gz CYKQBFFECDUZHZ-OAHLLOKOSA-N 0 2 323.356 2.504 20 30 DDEDLN CCn1cc(C(=O)N=c2[nH][nH]c(C)c2C#N)c(C(F)(F)F)n1 ZINC000357233922 409950212 /nfs/dbraw/zinc/95/02/12/409950212.db2.gz SBVHAZIETMXNFD-UHFFFAOYSA-N 0 2 312.255 2.077 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCOCC(F)F)cc1C#N ZINC000351904170 410328997 /nfs/dbraw/zinc/32/89/97/410328997.db2.gz FYMGHIWWCRVCBH-UHFFFAOYSA-N 0 2 317.317 1.392 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCC[C@H](O)C2)cc1C#N ZINC000359400891 410640316 /nfs/dbraw/zinc/64/03/16/410640316.db2.gz DOCAKDWUBAZUIV-ONGXEEELSA-N 0 2 321.402 1.662 20 30 DDEDLN COC(=O)c1nscc1NS(=O)(=O)c1ccccc1C#N ZINC000359483665 410685202 /nfs/dbraw/zinc/68/52/02/410685202.db2.gz OWNRLKLATWRJCW-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN N#CCCN(C(=O)CSc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000194629415 222180437 /nfs/dbraw/zinc/18/04/37/222180437.db2.gz LFMPSHRNTUDLBD-UHFFFAOYSA-N 0 2 303.347 1.549 20 30 DDEDLN Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(C#N)s1 ZINC000435478031 229391397 /nfs/dbraw/zinc/39/13/97/229391397.db2.gz RPGHYIWVGLXLLB-UHFFFAOYSA-N 0 2 321.383 1.828 20 30 DDEDLN C[C@H]1[C@@H](C2CC2)[C@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000529021353 421526374 /nfs/dbraw/zinc/52/63/74/421526374.db2.gz NEEKHOFAOHIHQF-HJIKLVIJSA-N 0 2 305.359 1.050 20 30 DDEDLN Cn1nc2c(c1NS(=O)(=O)c1ccc(C#N)c(F)c1)CCC2 ZINC000574466139 422115774 /nfs/dbraw/zinc/11/57/74/422115774.db2.gz ZILKNXDHKZHJLE-UHFFFAOYSA-N 0 2 320.349 1.720 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2ccc3c(c2)CCO3)s1 ZINC000610725347 422472389 /nfs/dbraw/zinc/47/23/89/422472389.db2.gz XUBPTFDZVLQPIV-UHFFFAOYSA-N 0 2 307.356 1.750 20 30 DDEDLN C[C@@H]1Oc2c(cccc2C(=O)Nc2nc(C#N)c(C#N)[nH]2)NC1=O ZINC000355573969 267102253 /nfs/dbraw/zinc/10/22/53/267102253.db2.gz VLBYDDYYZKDXSW-ZETCQYMHSA-N 0 2 322.284 1.125 20 30 DDEDLN COc1cc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)on1 ZINC000153512644 281801095 /nfs/dbraw/zinc/80/10/95/281801095.db2.gz UDYLHOKPHPVUIG-UHFFFAOYSA-N 0 2 324.300 1.447 20 30 DDEDLN N#C[C@H]1CSCCN1C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000342405516 303171356 /nfs/dbraw/zinc/17/13/56/303171356.db2.gz IVFVXINGQJXQHE-NSHDSACASA-N 0 2 316.342 1.111 20 30 DDEDLN CCC(C#N)(CC)C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000528125654 337791306 /nfs/dbraw/zinc/79/13/06/337791306.db2.gz FKUPGRJWCHUYDK-UHFFFAOYSA-N 0 2 317.396 1.178 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3ccc(C(N)=O)o3)nc21 ZINC000437386726 338308537 /nfs/dbraw/zinc/30/85/37/338308537.db2.gz PZLHHGQZTPVIOO-MRVPVSSYSA-N 0 2 309.285 1.448 20 30 DDEDLN C=CCOCCNC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000679502671 485904073 /nfs/dbraw/zinc/90/40/73/485904073.db2.gz KTNMEAPDOMSJEF-UHFFFAOYSA-N 0 2 322.390 1.741 20 30 DDEDLN C#C[C@H]1COCCN1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000491741343 527417841 /nfs/dbraw/zinc/41/78/41/527417841.db2.gz ZDIVHPDQRPMDEP-LBPRGKRZSA-N 0 2 314.370 1.493 20 30 DDEDLN CC(C)[C@@H](CCO)NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000331238796 528431078 /nfs/dbraw/zinc/43/10/78/528431078.db2.gz IMXSVVGOWNFWNI-SECBINFHSA-N 0 2 300.428 1.990 20 30 DDEDLN COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000818500365 597082573 /nfs/dbraw/zinc/08/25/73/597082573.db2.gz DUGIAEJMKHZRHA-XJKSGUPXSA-N 0 2 316.357 1.959 20 30 DDEDLN COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000818500365 597082577 /nfs/dbraw/zinc/08/25/77/597082577.db2.gz DUGIAEJMKHZRHA-XJKSGUPXSA-N 0 2 316.357 1.959 20 30 DDEDLN CC#CCOC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000819766581 599651039 /nfs/dbraw/zinc/65/10/39/599651039.db2.gz ZPYVIMQOXPTKKC-UHFFFAOYSA-N 0 2 315.333 1.083 20 30 DDEDLN NC(=[NH+]OCc1noc(CCC(=O)[O-])n1)c1ccc(F)cc1 ZINC000739148499 600282548 /nfs/dbraw/zinc/28/25/48/600282548.db2.gz KTLBBRYTKANNOG-UHFFFAOYSA-N 0 2 308.269 1.063 20 30 DDEDLN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000738619126 602819216 /nfs/dbraw/zinc/81/92/16/602819216.db2.gz KVFKZHJGXDFDEP-ZDUSSCGKSA-N 0 2 322.409 1.403 20 30 DDEDLN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000738619126 602819218 /nfs/dbraw/zinc/81/92/18/602819218.db2.gz KVFKZHJGXDFDEP-ZDUSSCGKSA-N 0 2 322.409 1.403 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833364327 605316734 /nfs/dbraw/zinc/31/67/34/605316734.db2.gz JQEJXZAVGFHKHF-ZDUSSCGKSA-N 0 2 305.309 1.952 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(NC(=O)[O-])c(F)c1 ZINC000833364327 605316740 /nfs/dbraw/zinc/31/67/40/605316740.db2.gz JQEJXZAVGFHKHF-ZDUSSCGKSA-N 0 2 305.309 1.952 20 30 DDEDLN C#C[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)[C@@H]1CCCO1 ZINC000775339985 697985135 /nfs/dbraw/zinc/98/51/35/697985135.db2.gz LJPIOKVPUGDAKH-HIFRSBDPSA-N 0 2 311.341 1.489 20 30 DDEDLN C#CCOCCNC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000784541346 698946431 /nfs/dbraw/zinc/94/64/31/698946431.db2.gz UOSTWCLODAPUJC-UHFFFAOYSA-N 0 2 320.374 1.188 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCC(=O)c2cccn21 ZINC000789453166 699387129 /nfs/dbraw/zinc/38/71/29/699387129.db2.gz MWYQPIHDUYMRRK-CMPLNLGQSA-N 0 2 310.313 1.331 20 30 DDEDLN Cc1cnn(C)c1S(=O)(=O)Nc1ccc(F)cc1OCC#N ZINC000795334733 699859655 /nfs/dbraw/zinc/85/96/55/699859655.db2.gz KVLHKDAFLMEYFY-UHFFFAOYSA-N 0 2 324.337 1.571 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)CCn2ccnn2)n1 ZINC000802056381 700364819 /nfs/dbraw/zinc/36/48/19/700364819.db2.gz LXTMFHBLDRPHKA-SECBINFHSA-N 0 2 319.346 1.178 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)CCn2ccnn2)n1 ZINC000802056381 700364823 /nfs/dbraw/zinc/36/48/23/700364823.db2.gz LXTMFHBLDRPHKA-SECBINFHSA-N 0 2 319.346 1.178 20 30 DDEDLN C#CC[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccccc1 ZINC000757620741 700666366 /nfs/dbraw/zinc/66/63/66/700666366.db2.gz DABIOZUUNIRMNH-VXGBXAGGSA-N 0 2 301.371 1.424 20 30 DDEDLN C[C@H]1C(NN=c2ncc(F)c[nH]2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000766453820 701051680 /nfs/dbraw/zinc/05/16/80/701051680.db2.gz SXVNXWHTNDFIKS-QMMMGPOBSA-N 0 2 323.328 1.940 20 30 DDEDLN Cc1nn(C)cc1S(=O)(=O)Nc1cccc(OCC#N)c1 ZINC000808078727 701496472 /nfs/dbraw/zinc/49/64/72/701496472.db2.gz XQQKFRYEJJXOLF-UHFFFAOYSA-N 0 2 306.347 1.432 20 30 DDEDLN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000811696413 702027380 /nfs/dbraw/zinc/02/73/80/702027380.db2.gz MBRCSJHRFDKHQY-UHFFFAOYSA-N 0 2 317.326 1.662 20 30 DDEDLN C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1SC(=N)NC1=O ZINC000840538067 702146732 /nfs/dbraw/zinc/14/67/32/702146732.db2.gz MQVKXLOLFHHTOG-STQMWFEESA-N 0 2 317.414 1.846 20 30 DDEDLN CN1CC[C@@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1=O ZINC000813216483 702313348 /nfs/dbraw/zinc/31/33/48/702313348.db2.gz SYXKDGQAKSDYJL-VHSXEESVSA-N 0 2 311.263 1.755 20 30 DDEDLN Cc1[nH]ncc1CCCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000867270473 706943510 /nfs/dbraw/zinc/94/35/10/706943510.db2.gz QLIVSMKFOTYRJM-UHFFFAOYSA-N 0 2 322.365 1.640 20 30 DDEDLN Cn1ncc(C(F)(F)F)c1CNC(=O)C(F)C(F)(F)F ZINC000862421554 705714882 /nfs/dbraw/zinc/71/48/82/705714882.db2.gz YXTDFSZUQICENP-LURJTMIESA-N 0 2 307.169 1.956 20 30 DDEDLN Cn1ncc(C(F)(F)F)c1CNC(=O)[C@H](F)C(F)(F)F ZINC000862421554 705714885 /nfs/dbraw/zinc/71/48/85/705714885.db2.gz YXTDFSZUQICENP-LURJTMIESA-N 0 2 307.169 1.956 20 30 DDEDLN O=C(C[C@H]1S/C(=N/CCC2CC2)NC1=O)NCC(F)(F)F ZINC000864345188 706143273 /nfs/dbraw/zinc/14/32/73/706143273.db2.gz QLTDSXKPBWKXGN-MRVPVSSYSA-N 0 2 323.340 1.443 20 30 DDEDLN O=C([O-])c1ccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)cn1 ZINC000835007513 707155828 /nfs/dbraw/zinc/15/58/28/707155828.db2.gz WEUCTFVCVSEBTF-UHFFFAOYSA-N 0 2 312.333 1.616 20 30 DDEDLN O=C(NC[C@H](O)C(F)(F)C(F)(F)F)C(F)C(F)(F)F ZINC000882555639 707693777 /nfs/dbraw/zinc/69/37/77/707693777.db2.gz CIJZKMZNFRQAEX-STHAYSLISA-N 0 2 307.112 1.562 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccn([C@H](CCC)C(=O)[O-])n1 ZINC000909954231 709706489 /nfs/dbraw/zinc/70/64/89/709706489.db2.gz OOVBHBQIRURYKR-QWHCGFSZSA-N 0 2 318.377 1.345 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccn([C@H](CCC)C(=O)[O-])n1 ZINC000909954231 709706494 /nfs/dbraw/zinc/70/64/94/709706494.db2.gz OOVBHBQIRURYKR-QWHCGFSZSA-N 0 2 318.377 1.345 20 30 DDEDLN C#CCOc1cc(F)ccc1NS(=O)(=O)N=S(C)(C)=O ZINC000901637782 710103984 /nfs/dbraw/zinc/10/39/84/710103984.db2.gz RUXRAAZKCTYVGX-UHFFFAOYSA-N 0 2 320.367 1.222 20 30 DDEDLN CC[C@H](C[NH+]1CCOCC1)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000905002954 711908669 /nfs/dbraw/zinc/90/86/69/711908669.db2.gz NAOMWLCUVGKUKA-BVTUPMQUSA-N 0 2 307.350 1.830 20 30 DDEDLN CC[S@](C)(=O)=NS(=O)(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000906061068 712233990 /nfs/dbraw/zinc/23/39/90/712233990.db2.gz DYXTXYFZTKRNRR-DDBGAENHSA-N 0 2 307.441 1.411 20 30 DDEDLN C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)C(F)C(F)(F)F ZINC001104848241 737278513 /nfs/dbraw/zinc/27/85/13/737278513.db2.gz YSIZCIJRYNOYCQ-XCBNKYQSSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001104848241 737278518 /nfs/dbraw/zinc/27/85/18/737278518.db2.gz YSIZCIJRYNOYCQ-XCBNKYQSSA-N 0 2 319.262 1.507 20 30 DDEDLN Cn1c(=O)[nH]c(NCCc2cc3ccccc3o2)c(C#N)c1=O ZINC001185450715 744227432 /nfs/dbraw/zinc/22/74/32/744227432.db2.gz IYXQQGZYQYBPLW-UHFFFAOYSA-N 0 2 310.313 1.346 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188908511 744793245 /nfs/dbraw/zinc/79/32/45/744793245.db2.gz GFOGZGGIXKKCEP-RWMBFGLXSA-N 0 2 319.409 1.145 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188908511 744793247 /nfs/dbraw/zinc/79/32/47/744793247.db2.gz GFOGZGGIXKKCEP-RWMBFGLXSA-N 0 2 319.409 1.145 20 30 DDEDLN C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001106602718 745830622 /nfs/dbraw/zinc/83/06/22/745830622.db2.gz AOJZQYZQSPYXEA-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H](F)C(F)(F)F ZINC001106602718 745830626 /nfs/dbraw/zinc/83/06/26/745830626.db2.gz AOJZQYZQSPYXEA-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2ccc3c(cnn3CCO)c2)c1O ZINC001193652694 746166810 /nfs/dbraw/zinc/16/68/10/746166810.db2.gz LZLKFVOVKCFUNS-UHFFFAOYSA-N 0 2 322.324 1.858 20 30 DDEDLN CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)n[nH]c1C1CC1 ZINC001032440057 750838153 /nfs/dbraw/zinc/83/81/53/750838153.db2.gz AQNIXZVWAZZLGN-RYUDHWBXSA-N 0 2 318.808 1.863 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)C(F)C(F)(F)F)C2)nn1 ZINC001097258387 757025751 /nfs/dbraw/zinc/02/57/51/757025751.db2.gz JQFKXBSQUTXZQF-XKSSXDPKSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C2)nn1 ZINC001097258387 757025760 /nfs/dbraw/zinc/02/57/60/757025760.db2.gz JQFKXBSQUTXZQF-XKSSXDPKSA-N 0 2 317.246 1.308 20 30 DDEDLN C=C(C)C[NH+]1CC(N(C)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001044181716 765372011 /nfs/dbraw/zinc/37/20/11/765372011.db2.gz HONUGHYLQLFEHF-UHFFFAOYSA-N 0 2 302.334 1.261 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1cnc(C#N)cn1 ZINC001113933856 766423498 /nfs/dbraw/zinc/42/34/98/766423498.db2.gz FIIRPYHXVLPCAO-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1cnc(C#N)cn1 ZINC001113933856 766423501 /nfs/dbraw/zinc/42/35/01/766423501.db2.gz FIIRPYHXVLPCAO-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001046594746 767719025 /nfs/dbraw/zinc/71/90/25/767719025.db2.gz OLYFZJXCRZGJKN-INIZCTEOSA-N 0 2 319.409 1.337 20 30 DDEDLN C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001046594746 767719030 /nfs/dbraw/zinc/71/90/30/767719030.db2.gz OLYFZJXCRZGJKN-INIZCTEOSA-N 0 2 319.409 1.337 20 30 DDEDLN C=CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266465332 836298625 /nfs/dbraw/zinc/29/86/25/836298625.db2.gz UHCWRFBAGPGXIK-OAHLLOKOSA-N 0 2 302.422 1.529 20 30 DDEDLN C=CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)C1=O ZINC001274575746 852409454 /nfs/dbraw/zinc/40/94/54/852409454.db2.gz IHQUDZMDBFZOLC-INIZCTEOSA-N 0 2 302.378 1.245 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1c2c(nn1C)CCCC2 ZINC001412411851 854519956 /nfs/dbraw/zinc/51/99/56/854519956.db2.gz RLWFZFCBEYOZOP-UHFFFAOYSA-N 0 2 311.345 1.832 20 30 DDEDLN COc1cc(Cn2c(=O)[nH]cc(C#N)c2=O)ccc1SC ZINC001413934116 881365301 /nfs/dbraw/zinc/36/53/01/881365301.db2.gz WNSZBCYIZVJMTP-UHFFFAOYSA-N 0 2 303.343 1.187 20 30 DDEDLN CCN(C(=O)C#CC(C)C)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001340105306 870895143 /nfs/dbraw/zinc/89/51/43/870895143.db2.gz DREDESNCEDHXBR-ZYHUDNBSSA-N 0 2 324.318 1.899 20 30 DDEDLN CCN(C(=O)C#CC(C)C)[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001340105306 870895148 /nfs/dbraw/zinc/89/51/48/870895148.db2.gz DREDESNCEDHXBR-ZYHUDNBSSA-N 0 2 324.318 1.899 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001276601118 874577516 /nfs/dbraw/zinc/57/75/16/874577516.db2.gz LKCMPYXBWYRTFY-SNVBAGLBSA-N 0 2 307.398 1.049 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001276601118 874577528 /nfs/dbraw/zinc/57/75/28/874577528.db2.gz LKCMPYXBWYRTFY-SNVBAGLBSA-N 0 2 307.398 1.049 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC001362097303 883029292 /nfs/dbraw/zinc/02/92/92/883029292.db2.gz FHSLIMMTPVJLRC-UHFFFAOYSA-N 0 2 322.368 1.713 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCSCC1 ZINC001352094459 876595165 /nfs/dbraw/zinc/59/51/65/876595165.db2.gz YQSORVIONNOXQG-UHFFFAOYSA-N 0 2 311.802 1.456 20 30 DDEDLN C[C@H](CN(C)C(=O)C(F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001287636251 912365305 /nfs/dbraw/zinc/36/53/05/912365305.db2.gz DZVKEEZBDAKUKP-KOLCDFICSA-N 0 2 324.318 1.899 20 30 DDEDLN C[C@H](CN(C)C(=O)[C@H](F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001287636251 912365323 /nfs/dbraw/zinc/36/53/23/912365323.db2.gz DZVKEEZBDAKUKP-KOLCDFICSA-N 0 2 324.318 1.899 20 30 DDEDLN C=C(C)CN(C)c1nnc(-c2c[nH]n(CC)c2=O)n1CCOC ZINC001358239378 880375446 /nfs/dbraw/zinc/37/54/46/880375446.db2.gz KHZIQCXFHDTVKL-UHFFFAOYSA-N 0 2 320.397 1.526 20 30 DDEDLN Cc1ccc(CNC(=O)C[C@@H]2SC(=N)NC2=O)cc1C#N ZINC001362866527 884834193 /nfs/dbraw/zinc/83/41/93/884834193.db2.gz KTUUGFGPQHXSKM-NSHDSACASA-N 0 2 302.359 1.039 20 30 DDEDLN C[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC2(CCC2)O1 ZINC001364741762 889320728 /nfs/dbraw/zinc/32/07/28/889320728.db2.gz JUVCVEHAXULYNC-LLVKDONJSA-N 0 2 313.361 1.450 20 30 DDEDLN C[C@@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC2(CCC2)O1 ZINC001364741762 889320739 /nfs/dbraw/zinc/32/07/39/889320739.db2.gz JUVCVEHAXULYNC-LLVKDONJSA-N 0 2 313.361 1.450 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cncc(C#N)c2)c(OC)c1 ZINC001258951878 898381271 /nfs/dbraw/zinc/38/12/71/898381271.db2.gz HNUXAIAWQLFDAQ-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN COc1cc(C)c(C)cc1S(=O)(=O)Nc1cnn(C)c1C#N ZINC001260766246 899258605 /nfs/dbraw/zinc/25/86/05/899258605.db2.gz NXBSELMHEOCHQX-UHFFFAOYSA-N 0 2 320.374 1.718 20 30 DDEDLN N#CC(C(=O)CCCNC(=O)C1CC1)c1ncc(F)cc1F ZINC001263664724 900666344 /nfs/dbraw/zinc/66/63/44/900666344.db2.gz JMNSLSZFDHCUGC-NSHDSACASA-N 0 2 307.300 1.842 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001372154736 906595126 /nfs/dbraw/zinc/59/51/26/906595126.db2.gz CKHUAXZLSCBWEV-SCZZXKLOSA-N 0 2 323.290 1.401 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001372154736 906595135 /nfs/dbraw/zinc/59/51/35/906595135.db2.gz CKHUAXZLSCBWEV-SCZZXKLOSA-N 0 2 323.290 1.401 20 30 DDEDLN CC(C)C#CC(=O)N1CC[C@@H](N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001283377666 907252007 /nfs/dbraw/zinc/25/20/07/907252007.db2.gz NCHPNZQWEXICAV-PWSUYJOCSA-N 0 2 322.302 1.606 20 30 DDEDLN CC(C)C#CC(=O)N1CC[C@@H](N(C)C(=O)[C@H](F)C(F)(F)F)C1 ZINC001283377666 907252021 /nfs/dbraw/zinc/25/20/21/907252021.db2.gz NCHPNZQWEXICAV-PWSUYJOCSA-N 0 2 322.302 1.606 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)NC(=O)c1c[nH]c(C#N)c1 ZINC001372907472 908549949 /nfs/dbraw/zinc/54/99/49/908549949.db2.gz MCVNUOMKNOTMBQ-RCOVLWMOSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)NC(=O)c1c[nH]c(C#N)c1 ZINC001372907472 908549960 /nfs/dbraw/zinc/54/99/60/908549960.db2.gz MCVNUOMKNOTMBQ-RCOVLWMOSA-N 0 2 320.246 1.021 20 30 DDEDLN C=CCCC(=O)NC[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001284366969 908897882 /nfs/dbraw/zinc/89/78/82/908897882.db2.gz VVZZQXMRIYDOKX-ONGXEEELSA-N 0 2 310.291 1.818 20 30 DDEDLN C=CCCC(=O)NC[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001284366969 908897886 /nfs/dbraw/zinc/89/78/86/908897886.db2.gz VVZZQXMRIYDOKX-ONGXEEELSA-N 0 2 310.291 1.818 20 30 DDEDLN C[C@H](C#N)C(=O)NCCCN(C(=O)C(F)C(F)(F)F)C1CC1 ZINC001294634239 915258568 /nfs/dbraw/zinc/25/85/68/915258568.db2.gz JIMPZXPBPMCSLL-SCZZXKLOSA-N 0 2 323.290 1.544 20 30 DDEDLN C[C@H](C#N)C(=O)NCCCN(C(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001294634239 915258583 /nfs/dbraw/zinc/25/85/83/915258583.db2.gz JIMPZXPBPMCSLL-SCZZXKLOSA-N 0 2 323.290 1.544 20 30 DDEDLN CC(C)C#CC(=O)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001295041538 915527239 /nfs/dbraw/zinc/52/72/39/915527239.db2.gz VXTITNLPHZCCHI-GXSJLCMTSA-N 0 2 308.275 1.263 20 30 DDEDLN CC(C)C#CC(=O)N[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001295041538 915527253 /nfs/dbraw/zinc/52/72/53/915527253.db2.gz VXTITNLPHZCCHI-GXSJLCMTSA-N 0 2 308.275 1.263 20 30 DDEDLN C=CCCC1(C(=O)N2CC(NC(=O)C(F)C(F)(F)F)C2)CC1 ZINC001297069735 916711261 /nfs/dbraw/zinc/71/12/61/916711261.db2.gz ULGSRTWPXXYVPM-SNVBAGLBSA-N 0 2 322.302 1.960 20 30 DDEDLN C=CCCC1(C(=O)N2CC(NC(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC001297069735 916711273 /nfs/dbraw/zinc/71/12/73/916711273.db2.gz ULGSRTWPXXYVPM-SNVBAGLBSA-N 0 2 322.302 1.960 20 30 DDEDLN COCCn1ccc(NS(=O)(=O)c2ccc(C#N)cc2C)n1 ZINC000076937012 185058702 /nfs/dbraw/zinc/05/87/02/185058702.db2.gz OKFYKMPTWVCXNR-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1c(C)ccc(C(=O)OC)c1O ZINC000416968549 529588314 /nfs/dbraw/zinc/58/83/14/529588314.db2.gz YREMXCOTFHMKIN-SECBINFHSA-N 0 2 312.347 1.531 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1ccc(C(=O)OC)c(F)c1 ZINC000416946729 529588616 /nfs/dbraw/zinc/58/86/16/529588616.db2.gz GJXOEJRHWOIACG-SECBINFHSA-N 0 2 300.311 1.656 20 30 DDEDLN CNC(=O)c1ccc(C(=O)[C@H](C#N)c2nc(C)cs2)cn1 ZINC000348559051 529935784 /nfs/dbraw/zinc/93/57/84/529935784.db2.gz YDSFTTNPFJXJFX-JTQLQIEISA-N 0 2 300.343 1.696 20 30 DDEDLN CNC(=O)c1ccc(C(=O)C(C#N)c2nc(C)cs2)cn1 ZINC000348559051 529935785 /nfs/dbraw/zinc/93/57/85/529935785.db2.gz YDSFTTNPFJXJFX-JTQLQIEISA-N 0 2 300.343 1.696 20 30 DDEDLN C=CC[N@@H+](Cc1cccc(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000578540670 354709600 /nfs/dbraw/zinc/70/96/00/354709600.db2.gz HQOVNVDIKKKFEB-AWEZNQCLSA-N 0 2 309.387 1.560 20 30 DDEDLN C=CC[N@H+](Cc1cccc(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000578540670 354709605 /nfs/dbraw/zinc/70/96/05/354709605.db2.gz HQOVNVDIKKKFEB-AWEZNQCLSA-N 0 2 309.387 1.560 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2cnn(CC3CC3)c2)c1 ZINC000589554527 355001514 /nfs/dbraw/zinc/00/15/14/355001514.db2.gz MEWDRZGJPNCWSH-UHFFFAOYSA-N 0 2 303.347 1.361 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2cncc(C#N)c2)c(OC)n1 ZINC000589551193 355001593 /nfs/dbraw/zinc/00/15/93/355001593.db2.gz RIPCCRCZPNXLOM-UHFFFAOYSA-N 0 2 320.330 1.166 20 30 DDEDLN Cc1ccsc1-c1nc(=NC(=O)N2CC(C#N)C2)s[nH]1 ZINC000590828997 355189232 /nfs/dbraw/zinc/18/92/32/355189232.db2.gz XSPAUUAAGGOTPD-UHFFFAOYSA-N 0 2 305.388 1.984 20 30 DDEDLN CCO[C@H]1C[C@H](NC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000598059995 357449198 /nfs/dbraw/zinc/44/91/98/357449198.db2.gz KMQQVLPRJIEEIF-MGCOHNPYSA-N 0 2 307.375 1.678 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]3CC[C@@H](O)[C@@H]32)cc1C#N ZINC000600795234 358317017 /nfs/dbraw/zinc/31/70/17/358317017.db2.gz WEULHAHVJUDJFK-XXILOJSOSA-N 0 2 319.386 1.366 20 30 DDEDLN CC1=C(C(=O)NCc2cccc(C#N)c2)[C@@H](C)n2ncnc2N1C ZINC000192151214 200828332 /nfs/dbraw/zinc/82/83/32/200828332.db2.gz HCSJACABPIFYKW-GFCCVEGCSA-N 0 2 322.372 1.751 20 30 DDEDLN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cn(C2CC2)nn1 ZINC000626283893 367461248 /nfs/dbraw/zinc/46/12/48/367461248.db2.gz UNHONFIBQXNGDY-NSHDSACASA-N 0 2 306.329 1.990 20 30 DDEDLN Cc1nc(NS(=O)(=O)c2ccc(C#N)o2)nc2c1CCCC2 ZINC000288708903 220363039 /nfs/dbraw/zinc/36/30/39/220363039.db2.gz YVZWHMVOSZQOFZ-UHFFFAOYSA-N 0 2 318.358 1.929 20 30 DDEDLN COc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc(OC)c1C ZINC000026275556 406903217 /nfs/dbraw/zinc/90/32/17/406903217.db2.gz RXYLZNCJTPQWGL-UHFFFAOYSA-N 0 2 311.301 1.731 20 30 DDEDLN C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129188668 407594715 /nfs/dbraw/zinc/59/47/15/407594715.db2.gz JSOIYHSAQXTNOW-INIZCTEOSA-N 0 2 309.454 1.065 20 30 DDEDLN Cc1cc2c(cc1C)O[C@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)C2 ZINC000175292830 408096381 /nfs/dbraw/zinc/09/63/81/408096381.db2.gz XOQRPLXVXXDVLL-AWEZNQCLSA-N 0 2 307.313 1.712 20 30 DDEDLN COC(=O)CC1(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)CCCC1 ZINC000190461424 408251553 /nfs/dbraw/zinc/25/15/53/408251553.db2.gz MLJJOQFUFRSSHN-UHFFFAOYSA-N 0 2 315.333 1.605 20 30 DDEDLN C#C[C@@H](NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1)C(C)(C)C ZINC000291669332 408904254 /nfs/dbraw/zinc/90/42/54/408904254.db2.gz GEQUNGOKQLOGDT-SNVBAGLBSA-N 0 2 314.345 1.522 20 30 DDEDLN Cc1nsc(N2CCN(C[C@H](O)COC(C)C)CC2)c1C#N ZINC000289461064 409276584 /nfs/dbraw/zinc/27/65/84/409276584.db2.gz MBAGTMVGGDPZCT-ZDUSSCGKSA-N 0 2 324.450 1.231 20 30 DDEDLN CCn1nc(C)c(NS(=O)(=O)c2cncc(C#N)c2)c1C ZINC000290467890 409410491 /nfs/dbraw/zinc/41/04/91/409410491.db2.gz GGCHHXNOCDGLJV-UHFFFAOYSA-N 0 2 305.363 1.587 20 30 DDEDLN Cc1n[nH]c2cc(NS(=O)(=O)c3cncc(C#N)c3)ccc12 ZINC000357074694 409845578 /nfs/dbraw/zinc/84/55/78/409845578.db2.gz NCYLZBLMVFTINU-UHFFFAOYSA-N 0 2 313.342 1.939 20 30 DDEDLN Cc1[nH]nc2cc(NS(=O)(=O)c3cncc(C#N)c3)ccc12 ZINC000357074694 409845585 /nfs/dbraw/zinc/84/55/85/409845585.db2.gz NCYLZBLMVFTINU-UHFFFAOYSA-N 0 2 313.342 1.939 20 30 DDEDLN Cc1ccc(C(O)=C(C#N)c2ccncn2)cc1S(C)(=O)=O ZINC000354457058 409872198 /nfs/dbraw/zinc/87/21/98/409872198.db2.gz CGGYPRZCZRBWMM-GFCCVEGCSA-N 0 2 315.354 1.679 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2c(C)noc2C)cc1C#N ZINC000354538052 409924318 /nfs/dbraw/zinc/92/43/18/409924318.db2.gz JWEBJMQKVZFECH-UHFFFAOYSA-N 0 2 318.358 1.916 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cccc(Oc3cnccn3)c2)c1C#N ZINC000357239731 409949384 /nfs/dbraw/zinc/94/93/84/409949384.db2.gz HTPVOTRDGAAWDB-UHFFFAOYSA-N 0 2 320.312 2.424 20 30 DDEDLN O=C(NC[C@@H]1CCCn2cc[nH+]c21)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000328963185 410023527 /nfs/dbraw/zinc/02/35/27/410023527.db2.gz RESDNPOYKOMQHF-UONOGXRCSA-N 0 2 303.410 1.107 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCCO2)cc1C#N ZINC000357469013 410056949 /nfs/dbraw/zinc/05/69/49/410056949.db2.gz DUYLAUZPSQACEW-SNVBAGLBSA-N 0 2 307.375 1.680 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H](O)C(F)(F)F)cc1C#N ZINC000359516331 410701674 /nfs/dbraw/zinc/70/16/74/410701674.db2.gz UTPZLESUJXPECS-ZETCQYMHSA-N 0 2 321.280 1.034 20 30 DDEDLN CN(C)C(=O)c1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000343817667 410721674 /nfs/dbraw/zinc/72/16/74/410721674.db2.gz BWRFHJCWOLFRTH-UHFFFAOYSA-N 0 2 308.301 1.107 20 30 DDEDLN N#Cc1cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)ccn1 ZINC000355789412 410686592 /nfs/dbraw/zinc/68/65/92/410686592.db2.gz IUJNIEQVBQOBDC-UHFFFAOYSA-N 0 2 306.285 1.696 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cccc3c[nH]nc32)cc1C#N ZINC000427101031 419593331 /nfs/dbraw/zinc/59/33/31/419593331.db2.gz NVZDCENYGFIUDC-UHFFFAOYSA-N 0 2 313.342 1.939 20 30 DDEDLN CCCn1nccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427205206 419617358 /nfs/dbraw/zinc/61/73/58/419617358.db2.gz OLCSEHGPSNEROG-UHFFFAOYSA-N 0 2 305.363 1.669 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2noc(C3CC3)n2)cc1C#N ZINC000427777605 419735170 /nfs/dbraw/zinc/73/51/70/419735170.db2.gz ZBPWHCLQXNVOIF-UHFFFAOYSA-N 0 2 305.319 1.323 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)o3)CC2)cc1O ZINC000425325787 420349909 /nfs/dbraw/zinc/34/99/09/420349909.db2.gz TVACXRDZDUADIK-UHFFFAOYSA-N 0 2 314.301 1.372 20 30 DDEDLN N#Cc1cnc2c(F)cc(F)cc2c1NCc1n[nH]c(=O)[nH]1 ZINC000446851680 230308895 /nfs/dbraw/zinc/30/88/95/230308895.db2.gz JWYRQJWZWSHLDQ-UHFFFAOYSA-N 0 2 302.244 1.820 20 30 DDEDLN CO[C@@H]1C[C@H](NC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1(C)C ZINC000440136379 420556464 /nfs/dbraw/zinc/55/64/64/420556464.db2.gz MVGPBRKAOCBBBO-WDEREUQCSA-N 0 2 321.402 1.924 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)/C=C/C2CCCCC2)c1 ZINC000493342068 420823686 /nfs/dbraw/zinc/82/36/86/420823686.db2.gz XLFHIBUQEWNCPZ-VOTSOKGWSA-N 0 2 319.386 1.895 20 30 DDEDLN COCC1(CCNC(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000571565317 421726895 /nfs/dbraw/zinc/72/68/95/421726895.db2.gz NLCRUAOGPOXVEK-UHFFFAOYSA-N 0 2 321.402 1.927 20 30 DDEDLN CC[C@@H](C[C@H](C)CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000345063196 272165320 /nfs/dbraw/zinc/16/53/20/272165320.db2.gz ULKLEWZWRUNTDC-ONGXEEELSA-N 0 2 323.418 1.908 20 30 DDEDLN CC1(C)CCCC[C@@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408489564 280940647 /nfs/dbraw/zinc/94/06/47/280940647.db2.gz UJIVXNIMVBDLIS-CYBMUJFWSA-N 0 2 321.402 1.975 20 30 DDEDLN Cc1cccc(S(=O)(=O)Nc2cnc(N(C)C)nc2)c1C#N ZINC000133952837 281521357 /nfs/dbraw/zinc/52/13/57/281521357.db2.gz GCVCZNQLCPOVBR-UHFFFAOYSA-N 0 2 317.374 1.524 20 30 DDEDLN N#CC1(NC(=O)c2cc([N+](=O)[O-])ccc2O)CCSCC1 ZINC000182159468 303146692 /nfs/dbraw/zinc/14/66/92/303146692.db2.gz STPXBLZLXSWSRN-UHFFFAOYSA-N 0 2 307.331 1.820 20 30 DDEDLN N#Cc1cccc(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1[N+](=O)[O-] ZINC000450508650 303204041 /nfs/dbraw/zinc/20/40/41/303204041.db2.gz CWFHBJMPNJSNHN-SNVBAGLBSA-N 0 2 314.305 1.674 20 30 DDEDLN NC(=O)CO[N-]C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000089462171 303252007 /nfs/dbraw/zinc/25/20/07/303252007.db2.gz UNCGGLWRGAYXST-ZDUSSCGKSA-N 0 2 309.341 1.554 20 30 DDEDLN NC(=O)CO[N-]C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000089462171 303252008 /nfs/dbraw/zinc/25/20/08/303252008.db2.gz UNCGGLWRGAYXST-ZDUSSCGKSA-N 0 2 309.341 1.554 20 30 DDEDLN COc1ccsc1S(=O)(=O)Nc1ncc(C#N)s1 ZINC000610753055 483936860 /nfs/dbraw/zinc/93/68/60/483936860.db2.gz VFUOEKPYZBHEQN-UHFFFAOYSA-N 0 2 301.374 1.886 20 30 DDEDLN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CC(=O)[O-] ZINC000819882744 598043616 /nfs/dbraw/zinc/04/36/16/598043616.db2.gz IGQZDGWJKYPEOP-NSHDSACASA-N 0 2 307.325 1.477 20 30 DDEDLN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+](C)CC(=O)[O-] ZINC000819882744 598043620 /nfs/dbraw/zinc/04/36/20/598043620.db2.gz IGQZDGWJKYPEOP-NSHDSACASA-N 0 2 307.325 1.477 20 30 DDEDLN CC(C)[C@@H]([NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1)C(=O)[O-] ZINC000820049161 598189633 /nfs/dbraw/zinc/18/96/33/598189633.db2.gz IMXHWJNRKQQCQF-CYBMUJFWSA-N 0 2 300.318 1.807 20 30 DDEDLN N#CCCN(CC[NH+]1CCOCC1)Cc1ccccc1C(=O)[O-] ZINC000833760172 604517306 /nfs/dbraw/zinc/51/73/06/604517306.db2.gz IVLRBISSLNSOLC-UHFFFAOYSA-N 0 2 317.389 1.433 20 30 DDEDLN C[C@@]1(C#N)CCC[N@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000833550553 605416273 /nfs/dbraw/zinc/41/62/73/605416273.db2.gz BCZNMFUZAVITTE-ODDCISTRSA-N 0 2 323.418 1.504 20 30 DDEDLN C[C@@]1(C#N)CCC[N@@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C1 ZINC000833550553 605416276 /nfs/dbraw/zinc/41/62/76/605416276.db2.gz BCZNMFUZAVITTE-ODDCISTRSA-N 0 2 323.418 1.504 20 30 DDEDLN CCCCCCCCn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O ZINC000825270609 608095673 /nfs/dbraw/zinc/09/56/73/608095673.db2.gz ANGDTBBVJKJGSV-UHFFFAOYSA-N 0 2 306.370 1.088 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CSC[C@H]1CCCCO1 ZINC000123020062 696727742 /nfs/dbraw/zinc/72/77/42/696727742.db2.gz WSSQZKMNDCHAEB-NEPJUHHUSA-N 0 2 321.402 1.614 20 30 DDEDLN CC(C)c1csc([C@@H](C#N)C(=O)CCN2C(=O)CCC2=O)n1 ZINC000080457836 696535036 /nfs/dbraw/zinc/53/50/36/696535036.db2.gz BNUFXSQPSULYDC-JTQLQIEISA-N 0 2 319.386 1.982 20 30 DDEDLN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@H](F)C(F)(F)F ZINC000764416802 700970028 /nfs/dbraw/zinc/97/00/28/700970028.db2.gz ILCBRXICIXGJGH-BQBZGAKWSA-N 0 2 310.213 1.887 20 30 DDEDLN C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000981482702 697107776 /nfs/dbraw/zinc/10/77/76/697107776.db2.gz AHWGLXDJRBFKOX-HNNXBMFYSA-N 0 2 314.433 1.381 20 30 DDEDLN C#CCNC(=O)c1ccccc1NC(=O)c1ccc2[nH]nnc2c1 ZINC000195491249 697744778 /nfs/dbraw/zinc/74/47/78/697744778.db2.gz JPWVVPAJABQFIB-UHFFFAOYSA-N 0 2 319.324 1.573 20 30 DDEDLN N#Cc1ccc(O)c(NC(=O)c2ccc3n[nH]c(=S)n3c2)c1 ZINC000774081420 697841204 /nfs/dbraw/zinc/84/12/04/697841204.db2.gz LVTSGVZWCMZRNY-UHFFFAOYSA-N 0 2 311.326 1.848 20 30 DDEDLN N#C[C@H]1CN(C(=O)c2cccc(Cl)c2O)CCN1C1CC1 ZINC000775736546 698027620 /nfs/dbraw/zinc/02/76/20/698027620.db2.gz INPLWGGQWXHWMQ-NSHDSACASA-N 0 2 305.765 1.858 20 30 DDEDLN CN(C)C(=O)[C@@H]1CC[C@@H](C/N=C\c2cc([N+](=O)[O-])ccc2O)O1 ZINC000255839966 698423989 /nfs/dbraw/zinc/42/39/89/698423989.db2.gz MUFYCOVTPPNINO-SJFZIYKBSA-N 0 2 321.333 1.355 20 30 DDEDLN N#Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)c1 ZINC000788845594 699342838 /nfs/dbraw/zinc/34/28/38/699342838.db2.gz HTNUDJYYQYVBED-UHFFFAOYSA-N 0 2 315.310 1.424 20 30 DDEDLN N#CC(C(=O)[C@H]1CCCN1C(=O)c1ccccc1)c1ccncn1 ZINC000760339109 700803159 /nfs/dbraw/zinc/80/31/59/700803159.db2.gz IEMMFEAQFUWANX-GOEBONIOSA-N 0 2 320.352 1.958 20 30 DDEDLN COC(=O)[C@@H](CC(F)F)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000761179215 700848365 /nfs/dbraw/zinc/84/83/65/700848365.db2.gz BLJLDRWMIZKYNL-PHKJPBFMSA-N 0 2 302.233 1.916 20 30 DDEDLN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)C(F)C(F)(F)F ZINC000764416802 700970027 /nfs/dbraw/zinc/97/00/27/700970027.db2.gz ILCBRXICIXGJGH-BQBZGAKWSA-N 0 2 310.213 1.887 20 30 DDEDLN CN(CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C(=O)OC(C)(C)C ZINC000770731161 701292510 /nfs/dbraw/zinc/29/25/10/701292510.db2.gz YLAJEKZPBGHZIU-JTQLQIEISA-N 0 2 320.349 1.179 20 30 DDEDLN CCc1cccc(OCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c1 ZINC000770865919 701298284 /nfs/dbraw/zinc/29/82/84/701298284.db2.gz JEOQVKIPQALKGU-CQSZACIVSA-N 0 2 311.341 1.953 20 30 DDEDLN CN1CC[C@@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1=O ZINC000813216482 702313635 /nfs/dbraw/zinc/31/36/35/702313635.db2.gz SYXKDGQAKSDYJL-UWVGGRQHSA-N 0 2 311.263 1.755 20 30 DDEDLN CCCC[C@@H](ON=C(C)C)C(=O)NCCc1n[nH]c(=S)o1 ZINC000841423102 702444655 /nfs/dbraw/zinc/44/46/55/702444655.db2.gz KVJXQWVZRLNKNB-SNVBAGLBSA-N 0 2 314.411 1.988 20 30 DDEDLN C=C[C@@H](C)O[N-]C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000846553201 703296179 /nfs/dbraw/zinc/29/61/79/703296179.db2.gz ZEJVTPSZOZZDDB-YPMHNXCESA-N 0 2 308.382 1.105 20 30 DDEDLN C=C[C@@H](C)O[N-]C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000846553201 703296181 /nfs/dbraw/zinc/29/61/81/703296181.db2.gz ZEJVTPSZOZZDDB-YPMHNXCESA-N 0 2 308.382 1.105 20 30 DDEDLN C=CC[C@H](NC(=O)NCc1nnc(COC)[nH]1)c1ccncc1 ZINC000853746192 704309497 /nfs/dbraw/zinc/30/94/97/704309497.db2.gz GFHGYLLJQVKPBD-LBPRGKRZSA-N 0 2 316.365 1.463 20 30 DDEDLN N#Cc1c[nH]c(=O)n(C[C@@H]2CCC[C@@H](c3ccccc3)O2)c1=O ZINC000882178365 707527709 /nfs/dbraw/zinc/52/77/09/707527709.db2.gz GTZSBYFPPJZKQC-GJZGRUSLSA-N 0 2 311.341 1.719 20 30 DDEDLN C=C(C)C[C@@H](CO)NC(=O)C1=NN(c2ccccc2)CC1=O ZINC000882889191 707839275 /nfs/dbraw/zinc/83/92/75/707839275.db2.gz TWGOFHJRFGUXDF-LBPRGKRZSA-N 0 2 301.346 1.635 20 30 DDEDLN O=C(C[C@@H]1S/C(=N/CC2CC2)NC1=O)NCC(F)(F)F ZINC000887268566 709002934 /nfs/dbraw/zinc/00/29/34/709002934.db2.gz OTRPAWQWYHUZQB-ZETCQYMHSA-N 0 2 309.313 1.053 20 30 DDEDLN C[C@H](C#N)Cn1[nH]c2c(c1=O)CCN(C(=O)OC(C)(C)C)C2 ZINC000887285233 709007379 /nfs/dbraw/zinc/00/73/79/709007379.db2.gz YAVSODXBIRCDGD-MNOVXSKESA-N 0 2 306.366 1.601 20 30 DDEDLN N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1[O-] ZINC000928088400 713124969 /nfs/dbraw/zinc/12/49/69/713124969.db2.gz HEHYUBWWTHQYAF-ZIAGYGMSSA-N 0 2 317.414 1.573 20 30 DDEDLN N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc1[O-] ZINC000928088400 713124972 /nfs/dbraw/zinc/12/49/72/713124972.db2.gz HEHYUBWWTHQYAF-ZIAGYGMSSA-N 0 2 317.414 1.573 20 30 DDEDLN CCC[C@H](C#N)NS(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000906059866 712233593 /nfs/dbraw/zinc/23/35/93/712233593.db2.gz BKJYAODAOHOJEF-NSPYISDASA-N 0 2 321.468 1.944 20 30 DDEDLN C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000968925339 719875698 /nfs/dbraw/zinc/87/56/98/719875698.db2.gz AMBXUOUBFPEXFK-CVEARBPZSA-N 0 2 314.433 1.440 20 30 DDEDLN C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC000972689797 735475867 /nfs/dbraw/zinc/47/58/67/735475867.db2.gz ZWXFXSHTWRXAER-AEFFLSMTSA-N 0 2 321.465 1.350 20 30 DDEDLN CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447740 735243454 /nfs/dbraw/zinc/24/34/54/735243454.db2.gz VHJKMMQDFHALGL-HOTGVXAUSA-N 0 2 314.433 1.297 20 30 DDEDLN C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035361644 751446190 /nfs/dbraw/zinc/44/61/90/751446190.db2.gz OEJGPKJHPFFOPO-HOTGVXAUSA-N 0 2 309.454 1.252 20 30 DDEDLN CC(=O)c1cccc(S(=O)(=O)Nc2cnc(C#N)nc2)c1 ZINC001189200373 744842288 /nfs/dbraw/zinc/84/22/88/744842288.db2.gz KZMMUVVDANSTHR-UHFFFAOYSA-N 0 2 302.315 1.352 20 30 DDEDLN C=C[C@@H]1C[C@]1(NC(=O)c1cc(F)c(O)cc1F)C(=O)OCC ZINC001192877127 745911046 /nfs/dbraw/zinc/91/10/46/745911046.db2.gz QBFFODFMGGUIJS-ANRSDYALSA-N 0 2 311.284 1.908 20 30 DDEDLN CCOC(=O)c1ncc(NS(=O)(=O)[C@@H](C)C#N)cc1Cl ZINC001193106728 745980437 /nfs/dbraw/zinc/98/04/37/745980437.db2.gz JECVGFNDPNICPV-ZETCQYMHSA-N 0 2 317.754 1.565 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2c(C)noc2C)c1 ZINC001193645202 746161113 /nfs/dbraw/zinc/16/11/13/746161113.db2.gz ZDBMGDXHUOJTIU-UHFFFAOYSA-N 0 2 307.331 1.973 20 30 DDEDLN N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccnc(CO)c1 ZINC001196650236 746922477 /nfs/dbraw/zinc/92/24/77/746922477.db2.gz KGLBPBGSDFLVBR-UHFFFAOYSA-N 0 2 323.761 1.900 20 30 DDEDLN C#CCCCCCC(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC001196769333 746954022 /nfs/dbraw/zinc/95/40/22/746954022.db2.gz BXPDXMBRDMETTA-UHFFFAOYSA-N 0 2 319.409 1.128 20 30 DDEDLN C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001033388238 749298705 /nfs/dbraw/zinc/29/87/05/749298705.db2.gz AAKVUKSWZBUBOE-CYBMUJFWSA-N 0 2 319.409 1.289 20 30 DDEDLN C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001033388238 749298710 /nfs/dbraw/zinc/29/87/10/749298710.db2.gz AAKVUKSWZBUBOE-CYBMUJFWSA-N 0 2 319.409 1.289 20 30 DDEDLN N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)C(F)C(F)(F)F)C2)cn1 ZINC001097258687 757026165 /nfs/dbraw/zinc/02/61/65/757026165.db2.gz YKTDCOOJLXMUMA-MATHAZKKSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2)cn1 ZINC001097258687 757026172 /nfs/dbraw/zinc/02/61/72/757026172.db2.gz YKTDCOOJLXMUMA-MATHAZKKSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1ccc(N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)nc1 ZINC001056803926 761443222 /nfs/dbraw/zinc/44/32/22/761443222.db2.gz HILFJQLTDPAAMZ-KOLCDFICSA-N 0 2 316.258 1.866 20 30 DDEDLN N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)nc1 ZINC001056803926 761443223 /nfs/dbraw/zinc/44/32/23/761443223.db2.gz HILFJQLTDPAAMZ-KOLCDFICSA-N 0 2 316.258 1.866 20 30 DDEDLN Cc1cc(NC[C@H](C)NC(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001108739483 762897358 /nfs/dbraw/zinc/89/73/58/762897358.db2.gz FJDDIIKCASALKE-GZMMTYOYSA-N 0 2 318.274 1.501 20 30 DDEDLN Cc1cc(NC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F)c(C#N)cn1 ZINC001108739483 762897367 /nfs/dbraw/zinc/89/73/67/762897367.db2.gz FJDDIIKCASALKE-GZMMTYOYSA-N 0 2 318.274 1.501 20 30 DDEDLN C[C@@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)CN1Cc1n[nH]c(=O)[nH]1 ZINC001132033133 768578597 /nfs/dbraw/zinc/57/85/97/768578597.db2.gz AVRCVFVNQZQCMW-VXGBXAGGSA-N 0 2 319.409 1.029 20 30 DDEDLN CN(CCNC(=O)C(F)C(F)(F)F)c1ncc(C#N)cc1F ZINC001100367035 776059310 /nfs/dbraw/zinc/05/93/10/776059310.db2.gz PZVQCTKOTOKWEF-SECBINFHSA-N 0 2 322.237 1.545 20 30 DDEDLN CN(CCNC(=O)[C@@H](F)C(F)(F)F)c1ncc(C#N)cc1F ZINC001100367035 776059313 /nfs/dbraw/zinc/05/93/13/776059313.db2.gz PZVQCTKOTOKWEF-SECBINFHSA-N 0 2 322.237 1.545 20 30 DDEDLN CC[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001103341173 778801909 /nfs/dbraw/zinc/80/19/09/778801909.db2.gz VWDSDDGDUJLKCI-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001103341173 778801914 /nfs/dbraw/zinc/80/19/14/778801914.db2.gz VWDSDDGDUJLKCI-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2csc(-c3ccoc3)n2)c1=O ZINC001307359871 836009829 /nfs/dbraw/zinc/00/98/29/836009829.db2.gz WWKIWCSCBCRMMH-UHFFFAOYSA-N 0 2 300.299 1.173 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc(-n2nccn2)cc1 ZINC001142492247 861162901 /nfs/dbraw/zinc/16/29/01/861162901.db2.gz RMPYTIRRUWGBAG-UHFFFAOYSA-N 0 2 320.312 1.800 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=C)Cl)C1CC1 ZINC001323016677 866270395 /nfs/dbraw/zinc/27/03/95/866270395.db2.gz YHQWWABVNHDAMJ-GJZGRUSLSA-N 0 2 309.841 1.321 20 30 DDEDLN C=C[C@H](COC)NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC001324162793 867114547 /nfs/dbraw/zinc/11/45/47/867114547.db2.gz UECZBQFBFCDWHH-SECBINFHSA-N 0 2 322.390 1.739 20 30 DDEDLN C#C[C@@H]1CCCCN1c1nnc(-c2c[nH]n(CC)c2=O)n1C ZINC001338487969 870008741 /nfs/dbraw/zinc/00/87/41/870008741.db2.gz MTQFQJQPDNYMGO-LLVKDONJSA-N 0 2 300.366 1.396 20 30 DDEDLN C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001317505090 870938420 /nfs/dbraw/zinc/93/84/20/870938420.db2.gz MFTOHMFMPSTGBJ-ZDUSSCGKSA-N 0 2 319.409 1.359 20 30 DDEDLN C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001317505090 870938426 /nfs/dbraw/zinc/93/84/26/870938426.db2.gz MFTOHMFMPSTGBJ-ZDUSSCGKSA-N 0 2 319.409 1.359 20 30 DDEDLN C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1O)C(=O)NCC(F)(F)F ZINC001317946868 871645234 /nfs/dbraw/zinc/64/52/34/871645234.db2.gz YBUYHBARBQTWTG-GGNFBYAZSA-N 0 2 319.239 1.786 20 30 DDEDLN COCCCNC(=O)C(C#N)=C([O-])c1c[nH+]c2n1CCCCC2 ZINC001341849786 871853951 /nfs/dbraw/zinc/85/39/51/871853951.db2.gz KCTYUSLXGIFUEC-GFCCVEGCSA-N 0 2 318.377 1.085 20 30 DDEDLN CCn1ccnc1C(C#N)C(=O)c1ncc(Br)cn1 ZINC001344322224 872977519 /nfs/dbraw/zinc/97/75/19/872977519.db2.gz KCFDFWYAWRYSPC-VIFPVBQESA-N 0 2 320.150 1.946 20 30 DDEDLN CCn1ccnc1[C@@H](C#N)C(=O)c1ncc(Br)cn1 ZINC001344322224 872977530 /nfs/dbraw/zinc/97/75/30/872977530.db2.gz KCFDFWYAWRYSPC-VIFPVBQESA-N 0 2 320.150 1.946 20 30 DDEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)OCC#Cc1ccccn1 ZINC001344859125 873150479 /nfs/dbraw/zinc/15/04/79/873150479.db2.gz WHXHXLILPAAZRF-UHFFFAOYSA-N 0 2 314.263 1.433 20 30 DDEDLN C=CCCC(=O)NC[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001356279182 878958165 /nfs/dbraw/zinc/95/81/65/878958165.db2.gz YJBPKMWSRHWPES-KOLCDFICSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)NC[C@H]1CCCN1C(=O)[C@H](F)C(F)(F)F ZINC001356279182 878958173 /nfs/dbraw/zinc/95/81/73/878958173.db2.gz YJBPKMWSRHWPES-KOLCDFICSA-N 0 2 310.291 1.960 20 30 DDEDLN C=C[C@](C)(CC)C(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001229048438 883791438 /nfs/dbraw/zinc/79/14/38/883791438.db2.gz DQILHVZQYSLMBR-OAHLLOKOSA-N 0 2 307.398 1.193 20 30 DDEDLN C[C@@H]1N(c2[nH]c(=O)n(C)c(=O)c2C#N)c2ccccc2C1(C)C ZINC001364226215 888175155 /nfs/dbraw/zinc/17/51/55/888175155.db2.gz FLPOLGRXUHFTRT-JTQLQIEISA-N 0 2 310.357 1.763 20 30 DDEDLN Cn1c(=O)[nH]c(N[C@@H]2COc3c2cccc3Cl)c(C#N)c1=O ZINC001365227011 890393395 /nfs/dbraw/zinc/39/33/95/890393395.db2.gz VUAYUCNJXQSROF-SNVBAGLBSA-N 0 2 318.720 1.144 20 30 DDEDLN C=CCC1(C(=O)NCCNC(O)=C2N=CC=CC2=O)CCCC1 ZINC001293031603 914177940 /nfs/dbraw/zinc/17/79/40/914177940.db2.gz DFXGUWIFPBLTQK-PFONDFGASA-N 0 2 317.389 1.766 20 30 DDEDLN CN(C(=O)C(F)C(F)(F)F)C1CN(CCC(F)(F)F)C1 ZINC001368078748 898651070 /nfs/dbraw/zinc/65/10/70/898651070.db2.gz ZMDOBSYBWSSQOH-ZETCQYMHSA-N 0 2 310.213 1.982 20 30 DDEDLN CN(C(=O)[C@H](F)C(F)(F)F)C1CN(CCC(F)(F)F)C1 ZINC001368078748 898651080 /nfs/dbraw/zinc/65/10/80/898651080.db2.gz ZMDOBSYBWSSQOH-ZETCQYMHSA-N 0 2 310.213 1.982 20 30 DDEDLN COc1cc(NS(=O)(=O)c2c(C)nn(C)c2C)ccc1C#N ZINC001260111188 899058721 /nfs/dbraw/zinc/05/87/21/899058721.db2.gz MNCZQICZKRLLAV-UHFFFAOYSA-N 0 2 320.374 1.718 20 30 DDEDLN N#Cc1cncc(NS(=O)(=O)Cc2cccc(Cl)c2)n1 ZINC001260828101 899279047 /nfs/dbraw/zinc/27/90/47/899279047.db2.gz OWGRHHZVJBQOFJ-UHFFFAOYSA-N 0 2 308.750 1.944 20 30 DDEDLN N#Cc1ccc(C(=O)NCCCNC(=O)C(F)C(F)(F)F)[nH]1 ZINC001293251957 914370680 /nfs/dbraw/zinc/37/06/80/914370680.db2.gz ICGVEGXOUARLSY-SECBINFHSA-N 0 2 320.246 1.023 20 30 DDEDLN N#Cc1ccc(C(=O)NCCCNC(=O)[C@@H](F)C(F)(F)F)[nH]1 ZINC001293251957 914370691 /nfs/dbraw/zinc/37/06/91/914370691.db2.gz ICGVEGXOUARLSY-SECBINFHSA-N 0 2 320.246 1.023 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001282744200 906012371 /nfs/dbraw/zinc/01/23/71/906012371.db2.gz MHUOMKTZYSKSBQ-BONVTDFDSA-N 0 2 307.398 1.049 20 30 DDEDLN C=CCCC(=O)NC[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001284366966 908897844 /nfs/dbraw/zinc/89/78/44/908897844.db2.gz VVZZQXMRIYDOKX-KOLCDFICSA-N 0 2 310.291 1.818 20 30 DDEDLN C=CCCC(=O)NC[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001284366966 908897856 /nfs/dbraw/zinc/89/78/56/908897856.db2.gz VVZZQXMRIYDOKX-KOLCDFICSA-N 0 2 310.291 1.818 20 30 DDEDLN C=CCCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1 ZINC001295971463 916159540 /nfs/dbraw/zinc/15/95/40/916159540.db2.gz BNRMEVVTHWYMMR-UHFFFAOYSA-N 0 2 303.278 1.720 20 30 DDEDLN CCc1[nH]nc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)c1C ZINC000153696139 290651169 /nfs/dbraw/zinc/65/11/69/290651169.db2.gz NZVQKPKNUCALQZ-UHFFFAOYSA-N 0 2 317.374 1.815 20 30 DDEDLN CC[C@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)[C@@H](O)C(C)C ZINC000412752112 529558121 /nfs/dbraw/zinc/55/81/21/529558121.db2.gz OAJSARJGGFZFGW-RYUDHWBXSA-N 0 2 323.418 1.906 20 30 DDEDLN N#Cc1nc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)[nH]c1C#N ZINC000045580093 352416127 /nfs/dbraw/zinc/41/61/27/352416127.db2.gz FVDHBKDIXHAVKM-LBPRGKRZSA-N 0 2 313.704 1.749 20 30 DDEDLN CCOC(=O)Nc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000045580079 352416354 /nfs/dbraw/zinc/41/63/54/352416354.db2.gz IFDDBTCHRHWAHJ-UHFFFAOYSA-N 0 2 324.300 1.974 20 30 DDEDLN O=C(NC1=NC(=O)CN1)c1cc(C2CC2)nn1-c1ccccc1 ZINC000050222508 352564413 /nfs/dbraw/zinc/56/44/13/352564413.db2.gz YAUNDQICBZORGX-UHFFFAOYSA-N 0 2 309.329 1.540 20 30 DDEDLN CCn1cc(S(=O)(=O)Nc2cc(C)nn2CCC#N)cn1 ZINC000066248132 352986102 /nfs/dbraw/zinc/98/61/02/352986102.db2.gz WIPUQTDHIVBPTF-UHFFFAOYSA-N 0 2 308.367 1.122 20 30 DDEDLN CCO[C@@]1(C)C[C@H]1NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000600369493 358201836 /nfs/dbraw/zinc/20/18/36/358201836.db2.gz QAGMYOLMRLEQHB-YGRLFVJLSA-N 0 2 307.375 1.678 20 30 DDEDLN C=CC[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000625701255 367099202 /nfs/dbraw/zinc/09/92/02/367099202.db2.gz OHWRQQOGFKXRQH-OAHLLOKOSA-N 0 2 309.454 1.111 20 30 DDEDLN COc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1[N+](=O)[O-] ZINC000026272945 248182841 /nfs/dbraw/zinc/18/28/41/248182841.db2.gz JVJRIQVSRHRICL-UHFFFAOYSA-N 0 2 312.245 1.322 20 30 DDEDLN CCN(C)C(=O)c1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000104843815 194046834 /nfs/dbraw/zinc/04/68/34/194046834.db2.gz WGUCIRNFGXFJIA-UHFFFAOYSA-N 0 2 322.328 1.497 20 30 DDEDLN COc1ccc(O[C@H](C)C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000048156306 407090435 /nfs/dbraw/zinc/09/04/35/407090435.db2.gz KSSIELUSVSIXJJ-SECBINFHSA-N 0 2 311.301 1.568 20 30 DDEDLN Cc1cc(C(=O)N[C@@H](C#N)C(C)(C)C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000122087668 408247966 /nfs/dbraw/zinc/24/79/66/408247966.db2.gz RBMBURYEFYWVKV-VIFPVBQESA-N 0 2 315.333 1.000 20 30 DDEDLN N#Cc1cc(S(=O)(=O)Nc2nncs2)ccc1Cl ZINC000160584777 408499947 /nfs/dbraw/zinc/49/99/47/408499947.db2.gz ZWZSLRGMZISCNX-UHFFFAOYSA-N 0 2 300.752 1.864 20 30 DDEDLN N#CCN1CCC[C@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000354085033 409639297 /nfs/dbraw/zinc/63/92/97/409639297.db2.gz GKWNSCNOXLXYLS-LLVKDONJSA-N 0 2 318.333 1.266 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2cnn(C)c2)cc1C#N ZINC000349760193 409909871 /nfs/dbraw/zinc/90/98/71/409909871.db2.gz VSYWHIQCPYKWCY-QMMMGPOBSA-N 0 2 317.374 1.605 20 30 DDEDLN C=CCCCCNS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000351578118 410090884 /nfs/dbraw/zinc/09/08/84/410090884.db2.gz AUQDRWMFOWHFLV-UHFFFAOYSA-N 0 2 324.362 1.071 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC2(CO)CCCC2)cc1C#N ZINC000331045735 410917123 /nfs/dbraw/zinc/91/71/23/410917123.db2.gz UIMFQOJRKJYXMD-UHFFFAOYSA-N 0 2 321.402 1.663 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C)[C@H]2CO)cc1C#N ZINC000331262416 411048000 /nfs/dbraw/zinc/04/80/00/411048000.db2.gz DIHXNFNBXIRTRK-GZMMTYOYSA-N 0 2 307.375 1.224 20 30 DDEDLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(C#N)cn1 ZINC000446816370 420765705 /nfs/dbraw/zinc/76/57/05/420765705.db2.gz FHCYUUPATZKAQL-UHFFFAOYSA-N 0 2 317.370 2.380 20 30 DDEDLN Cc1c[nH+]ccc1/C=C/C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000493700211 420918983 /nfs/dbraw/zinc/91/89/83/420918983.db2.gz XFBFHTKUHHAGFQ-ONEGZZNKSA-N 0 2 319.386 1.543 20 30 DDEDLN COCc1ccc(NS(=O)(=O)c2cnc(C)n2C)cc1C#N ZINC000530146362 421582746 /nfs/dbraw/zinc/58/27/46/421582746.db2.gz ZVMCBAUGAGDPOR-UHFFFAOYSA-N 0 2 320.374 1.547 20 30 DDEDLN C[C@@H](C#N)CN(C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C1CC1 ZINC000533150360 421669442 /nfs/dbraw/zinc/66/94/42/421669442.db2.gz BJLAPVRJMOIOHO-JTQLQIEISA-N 0 2 312.329 1.794 20 30 DDEDLN C=CCCCCCNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000576715572 422375800 /nfs/dbraw/zinc/37/58/00/422375800.db2.gz KRECYOIJBANYNV-UHFFFAOYSA-N 0 2 302.334 1.912 20 30 DDEDLN CCN(CCC(=O)OC)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000349844239 266124204 /nfs/dbraw/zinc/12/42/04/266124204.db2.gz CDELYHFTKSRLHS-UHFFFAOYSA-N 0 2 323.374 1.406 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cnn(CC(C)C)c2)cc1C#N ZINC000427257879 268087892 /nfs/dbraw/zinc/08/78/92/268087892.db2.gz AYEWVCZZGRYCNC-UHFFFAOYSA-N 0 2 319.390 1.915 20 30 DDEDLN C=CCCO[C@H](C)C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000170747517 332875149 /nfs/dbraw/zinc/87/51/49/332875149.db2.gz BXNIEPSAIVLXJL-SNVBAGLBSA-N 0 2 303.318 1.950 20 30 DDEDLN N#C[C@H](C(=O)c1cnc2n[nH]nc2c1)c1nc2ccccc2o1 ZINC000526110100 336127262 /nfs/dbraw/zinc/12/72/62/336127262.db2.gz NOWPSZRNAFVZRK-SECBINFHSA-N 0 2 304.269 1.984 20 30 DDEDLN N#CC(C(=O)c1cnc2n[nH]nc2c1)c1nc2ccccc2o1 ZINC000526110100 336127263 /nfs/dbraw/zinc/12/72/63/336127263.db2.gz NOWPSZRNAFVZRK-SECBINFHSA-N 0 2 304.269 1.984 20 30 DDEDLN C=C[C@H](C)ONC(=O)CN(CCOC)C(=O)OC(C)(C)C ZINC000496232416 340001085 /nfs/dbraw/zinc/00/10/85/340001085.db2.gz GHWONSLLDWEWBI-NSHDSACASA-N 0 2 302.371 1.492 20 30 DDEDLN CC(=O)c1ccc(C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)cc1O ZINC000412340457 484035629 /nfs/dbraw/zinc/03/56/29/484035629.db2.gz QWMZHMUBWHEMLA-UHFFFAOYSA-N 0 2 310.313 1.741 20 30 DDEDLN C=CCN1CC[C@@H](N(C)C(=O)c2c(O)cc(F)cc2F)C1=O ZINC000684987253 486479547 /nfs/dbraw/zinc/47/95/47/486479547.db2.gz DEMDFTDLTUDLLL-LLVKDONJSA-N 0 2 310.300 1.529 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000737581376 600561300 /nfs/dbraw/zinc/56/13/00/600561300.db2.gz SMSCDIQJBCQLFD-AWEZNQCLSA-N 0 2 302.330 1.569 20 30 DDEDLN COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000831083688 601314219 /nfs/dbraw/zinc/31/42/19/601314219.db2.gz AOXSQBLEIDQDGJ-KGLIPLIRSA-N 0 2 302.330 1.569 20 30 DDEDLN COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000831083688 601314220 /nfs/dbraw/zinc/31/42/20/601314220.db2.gz AOXSQBLEIDQDGJ-KGLIPLIRSA-N 0 2 302.330 1.569 20 30 DDEDLN C[C@@H](CNC(=O)[O-])[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000738942697 602557105 /nfs/dbraw/zinc/55/71/05/602557105.db2.gz WWXDVRWCXIHLPU-VIFPVBQESA-N 0 2 324.768 1.738 20 30 DDEDLN C[C@@H](CNC(=O)[O-])[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000738942697 602557107 /nfs/dbraw/zinc/55/71/07/602557107.db2.gz WWXDVRWCXIHLPU-VIFPVBQESA-N 0 2 324.768 1.738 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000739588440 602783141 /nfs/dbraw/zinc/78/31/41/602783141.db2.gz YAVCYRRFAKOADU-ZIAGYGMSSA-N 0 2 316.361 1.159 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000739588440 602783143 /nfs/dbraw/zinc/78/31/43/602783143.db2.gz YAVCYRRFAKOADU-ZIAGYGMSSA-N 0 2 316.361 1.159 20 30 DDEDLN CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@@H](C)N(C(=O)[O-])[C@H](C)C1 ZINC000739404230 602836058 /nfs/dbraw/zinc/83/60/58/602836058.db2.gz PEAOLOKYGNITQK-JHJVBQTASA-N 0 2 310.398 1.067 20 30 DDEDLN N#C[C@@H](c1ccc(F)cc1)N1CC[NH+](CCNC(=O)[O-])CC1 ZINC000833964824 605772487 /nfs/dbraw/zinc/77/24/87/605772487.db2.gz QXGZJFQKBQLSJZ-AWEZNQCLSA-N 0 2 306.341 1.276 20 30 DDEDLN Cc1cc(C=Nn2c(C)cc(C)c(-c3nn[nH]n3)c2=O)c(C)o1 ZINC000826266745 608473971 /nfs/dbraw/zinc/47/39/71/608473971.db2.gz ZOJNXBXZNPQAJO-UHFFFAOYSA-N 0 2 312.333 1.737 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1ccc2c(c1)OCO2 ZINC000122885875 696726151 /nfs/dbraw/zinc/72/61/51/696726151.db2.gz NGWDDNWUZQBTNA-NSHDSACASA-N 0 2 311.297 1.283 20 30 DDEDLN CN(Cc1cccc(C#N)c1)C(=O)C[C@H]1SC(=N)NC1=O ZINC000745428746 699981901 /nfs/dbraw/zinc/98/19/01/699981901.db2.gz YBAZGVPTGRJIFL-LLVKDONJSA-N 0 2 302.359 1.073 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000133760692 696830075 /nfs/dbraw/zinc/83/00/75/696830075.db2.gz HULVKHKFCCOHEN-UHFFFAOYSA-N 0 2 319.298 1.973 20 30 DDEDLN Cc1csc(CCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)n1 ZINC000774144940 697848460 /nfs/dbraw/zinc/84/84/60/697848460.db2.gz YUYCJDYOEJCIRV-SNVBAGLBSA-N 0 2 302.359 1.709 20 30 DDEDLN CO[C@@H]1CCC[C@H](CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000796774023 699951982 /nfs/dbraw/zinc/95/19/82/699951982.db2.gz GJMQQKIJCDXVII-XQQFMLRXSA-N 0 2 303.362 1.907 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@H](C)CC(=O)OC)n1 ZINC000758514966 700709697 /nfs/dbraw/zinc/70/96/97/700709697.db2.gz DILHRUWDTLMWHQ-RKDXNWHRSA-N 0 2 324.358 1.695 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H](C)CC(=O)OC)n1 ZINC000758514966 700709698 /nfs/dbraw/zinc/70/96/98/700709698.db2.gz DILHRUWDTLMWHQ-RKDXNWHRSA-N 0 2 324.358 1.695 20 30 DDEDLN Cc1cc(C(C#N)C(=O)CO[C@H](C)c2nccn2C)nc(C)n1 ZINC000805852448 701413196 /nfs/dbraw/zinc/41/31/96/701413196.db2.gz CFFKUAWAPIUYML-YPMHNXCESA-N 0 2 313.361 1.781 20 30 DDEDLN C#CC[C@H](CO)NC(=O)C1=NN(c2ccccc2CC)CC1=O ZINC000816671935 702141185 /nfs/dbraw/zinc/14/11/85/702141185.db2.gz LPIFQQACRIYWLU-CYBMUJFWSA-N 0 2 313.357 1.254 20 30 DDEDLN N#CC(C(=O)NC1CCCCC1)=C([O-])c1c[nH+]c2n1CCC2 ZINC000850757285 703750293 /nfs/dbraw/zinc/75/02/93/703750293.db2.gz JEGOXAWOALTCMV-LBPRGKRZSA-N 0 2 300.362 1.601 20 30 DDEDLN Cc1nc(C#N)cc(N2CC[C@](C)(NC(=O)C(F)(F)F)C2)n1 ZINC000882707060 707755431 /nfs/dbraw/zinc/75/54/31/707755431.db2.gz BOIYJVZJMJQBPE-LBPRGKRZSA-N 0 2 313.283 1.304 20 30 DDEDLN C#CC1(O)CCN(C(=O)c2c[nH]c3nc(C)ccc3c2=O)CC1 ZINC000899112476 708988598 /nfs/dbraw/zinc/98/85/98/708988598.db2.gz GUTKEXKNOAEFBD-UHFFFAOYSA-N 0 2 311.341 1.244 20 30 DDEDLN C[C@@H](C#N)Cn1[nH]c2c(c1=O)CCN(C(=O)OC(C)(C)C)C2 ZINC000887285234 709007481 /nfs/dbraw/zinc/00/74/81/709007481.db2.gz YAVSODXBIRCDGD-QWRGUYRKSA-N 0 2 306.366 1.601 20 30 DDEDLN C=CCCn1cc(C[NH2+][C@@H]2CCCn3nc(C(=O)[O-])cc32)nn1 ZINC000900074059 709281958 /nfs/dbraw/zinc/28/19/58/709281958.db2.gz ORTQYITYQAZHSH-GFCCVEGCSA-N 0 2 316.365 1.374 20 30 DDEDLN CCC[C@@H](C#N)NS(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000906059865 712233457 /nfs/dbraw/zinc/23/34/57/712233457.db2.gz BKJYAODAOHOJEF-JEOXALJRSA-N 0 2 321.468 1.944 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)CC[C@H]2C)C1 ZINC000968274403 719482998 /nfs/dbraw/zinc/48/29/98/719482998.db2.gz LJRFRKQNTYNQBK-VXGBXAGGSA-N 0 2 319.409 1.193 20 30 DDEDLN CC#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461087 719599709 /nfs/dbraw/zinc/59/97/09/719599709.db2.gz ZYRMFJSTPVMZPD-SJORKVTESA-N 0 2 305.466 1.568 20 30 DDEDLN C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001027885208 738773153 /nfs/dbraw/zinc/77/31/53/738773153.db2.gz BJAOIOSZLAVOIV-HUUCEWRRSA-N 0 2 302.422 1.986 20 30 DDEDLN C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001088678181 742070219 /nfs/dbraw/zinc/07/02/19/742070219.db2.gz JKAJVTIXBNLYHK-KFWWJZLASA-N 0 2 300.406 1.048 20 30 DDEDLN CC(=O)Nc1ccc(NS(=O)(=O)c2ccoc2)cc1C#N ZINC001188609962 744727475 /nfs/dbraw/zinc/72/74/75/744727475.db2.gz DQHIYXPVJROLQH-UHFFFAOYSA-N 0 2 305.315 1.910 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)Cc2ccc(F)cc2F)CCC1=O ZINC001189803721 744985739 /nfs/dbraw/zinc/98/57/39/744985739.db2.gz HGCWCDLBVUGEOV-JTQLQIEISA-N 0 2 314.313 1.209 20 30 DDEDLN COc1cc(NS(=O)(=O)CC#N)cc(Br)n1 ZINC001192951714 745931988 /nfs/dbraw/zinc/93/19/88/745931988.db2.gz OSKDTLKRGVIUFV-UHFFFAOYSA-N 0 2 306.141 1.118 20 30 DDEDLN CCOC(=O)C(C)(C)S(=O)(=O)Nc1ccc(C#N)cc1F ZINC001193051810 745956601 /nfs/dbraw/zinc/95/66/01/745956601.db2.gz HBSGBKRDRNACAD-UHFFFAOYSA-N 0 2 314.338 1.781 20 30 DDEDLN C#Cc1cc(NS(=O)(=O)c2cccc3nccnc32)ccn1 ZINC001194940048 746491869 /nfs/dbraw/zinc/49/18/69/746491869.db2.gz YWFRSWSZMXAVNN-UHFFFAOYSA-N 0 2 310.338 1.229 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)Cc2c(F)cccc2F)CCC1=O ZINC001197591093 747213997 /nfs/dbraw/zinc/21/39/97/747213997.db2.gz WHBOMKBLTLRJIA-VIFPVBQESA-N 0 2 314.313 1.209 20 30 DDEDLN C[C@H](CNc1ccc(C#N)nc1)NC(=O)C(F)C(F)(F)F ZINC001108170562 753340643 /nfs/dbraw/zinc/34/06/43/753340643.db2.gz ISLDLKJIRUAFAV-XCBNKYQSSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@H](CNc1ccc(C#N)nc1)NC(=O)[C@H](F)C(F)(F)F ZINC001108170562 753340646 /nfs/dbraw/zinc/34/06/46/753340646.db2.gz ISLDLKJIRUAFAV-XCBNKYQSSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@H](CNc1ncc(C#N)cc1F)NC(=O)C(F)C(F)(F)F ZINC001108170533 753343868 /nfs/dbraw/zinc/34/38/68/753343868.db2.gz HFMQOJNFMQFZPL-HZGVNTEJSA-N 0 2 322.237 1.909 20 30 DDEDLN C[C@H](CNc1ncc(C#N)cc1F)NC(=O)[C@@H](F)C(F)(F)F ZINC001108170533 753343872 /nfs/dbraw/zinc/34/38/72/753343872.db2.gz HFMQOJNFMQFZPL-HZGVNTEJSA-N 0 2 322.237 1.909 20 30 DDEDLN C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001109274405 763537234 /nfs/dbraw/zinc/53/72/34/763537234.db2.gz DXOAEQXERPLFSU-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@H](F)C(F)(F)F ZINC001109274405 763537242 /nfs/dbraw/zinc/53/72/42/763537242.db2.gz DXOAEQXERPLFSU-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN CCCCCCCCC(=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC001113575734 765897211 /nfs/dbraw/zinc/89/72/11/765897211.db2.gz JUCDLFDEYYBTMX-UHFFFAOYSA-N 0 2 323.441 1.905 20 30 DDEDLN CCOC(=O)[C@@H](C#N)Nc1c(Br)cncc1C#N ZINC001170370354 766270079 /nfs/dbraw/zinc/27/00/79/766270079.db2.gz WYCFRJSQUSUCBB-SECBINFHSA-N 0 2 309.123 1.005 20 30 DDEDLN N#Cc1cnccc1N1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001096491584 770463709 /nfs/dbraw/zinc/46/37/09/770463709.db2.gz MZLXNTFGIPOQGY-MWLCHTKSSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1cnccc1N1CC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001096491584 770463713 /nfs/dbraw/zinc/46/37/13/770463713.db2.gz MZLXNTFGIPOQGY-MWLCHTKSSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H](NC(=O)C(F)C(F)(F)F)C2)cn1 ZINC001096492093 770472496 /nfs/dbraw/zinc/47/24/96/770472496.db2.gz SAHMFTXBQPHBJY-MWLCHTKSSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2)cn1 ZINC001096492093 770472497 /nfs/dbraw/zinc/47/24/97/770472497.db2.gz SAHMFTXBQPHBJY-MWLCHTKSSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1ccc(NCCCNC(=O)C(F)C(F)(F)F)nc1 ZINC001094846386 776500344 /nfs/dbraw/zinc/50/03/44/776500344.db2.gz SBMCGPYDDAGYCL-JTQLQIEISA-N 0 2 304.247 1.772 20 30 DDEDLN N#Cc1ccc(NCCCNC(=O)[C@H](F)C(F)(F)F)nc1 ZINC001094846386 776500350 /nfs/dbraw/zinc/50/03/50/776500350.db2.gz SBMCGPYDDAGYCL-JTQLQIEISA-N 0 2 304.247 1.772 20 30 DDEDLN CC#CCn1nnnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC001120247504 781834858 /nfs/dbraw/zinc/83/48/58/781834858.db2.gz UEOGNOHUMTVQSA-UHFFFAOYSA-N 0 2 315.362 1.043 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1(CNC(=O)C(F)C(F)(F)F)CCCC1 ZINC001409469853 845144931 /nfs/dbraw/zinc/14/49/31/845144931.db2.gz ACOHTURAWPVOSA-IUCAKERBSA-N 0 2 323.290 1.592 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H](F)C(F)(F)F)CCCC1 ZINC001409469853 845144937 /nfs/dbraw/zinc/14/49/37/845144937.db2.gz ACOHTURAWPVOSA-IUCAKERBSA-N 0 2 323.290 1.592 20 30 DDEDLN COCC#CCN1CC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425391 846352657 /nfs/dbraw/zinc/35/26/57/846352657.db2.gz MWBAEYCMHOLGFA-QWRGUYRKSA-N 0 2 310.291 1.069 20 30 DDEDLN C#CC[N@@H+]1CCCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034365384 848420265 /nfs/dbraw/zinc/42/02/65/848420265.db2.gz QKSJHKAZZBFNER-HNNXBMFYSA-N 0 2 303.406 1.559 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)C(F)C(F)(F)F)CC1 ZINC001073230425 858191660 /nfs/dbraw/zinc/19/16/60/858191660.db2.gz XYTBXLADCKHYEA-IUCAKERBSA-N 0 2 323.290 1.544 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001073230425 858191663 /nfs/dbraw/zinc/19/16/63/858191663.db2.gz XYTBXLADCKHYEA-IUCAKERBSA-N 0 2 323.290 1.544 20 30 DDEDLN C=CCCCCCO[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001224428421 881391124 /nfs/dbraw/zinc/39/11/24/881391124.db2.gz XCQSTDQFMHDHNG-CQSZACIVSA-N 0 2 321.439 1.338 20 30 DDEDLN C#CCCn1nnnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC001334349209 867508425 /nfs/dbraw/zinc/50/84/25/867508425.db2.gz WMBCIMLILXMVGP-UHFFFAOYSA-N 0 2 315.362 1.043 20 30 DDEDLN COc1ccc(N)cc1S(=O)(=O)Nc1cncc(C#N)c1 ZINC001210086303 875221694 /nfs/dbraw/zinc/22/16/94/875221694.db2.gz COHLKWDZJMQIGC-UHFFFAOYSA-N 0 2 304.331 1.345 20 30 DDEDLN O=C(C#CC1CC1)NCC1(NC(=O)C(F)C(F)(F)F)CC1 ZINC001358660465 880715908 /nfs/dbraw/zinc/71/59/08/880715908.db2.gz CIWBMXFGWORDEC-SNVBAGLBSA-N 0 2 306.259 1.065 20 30 DDEDLN O=C(C#CC1CC1)NCC1(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001358660465 880715912 /nfs/dbraw/zinc/71/59/12/880715912.db2.gz CIWBMXFGWORDEC-SNVBAGLBSA-N 0 2 306.259 1.065 20 30 DDEDLN N#CCc1ccsc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001362384727 883689924 /nfs/dbraw/zinc/68/99/24/883689924.db2.gz KHZKATIWKUVYGK-JTQLQIEISA-N 0 2 317.374 1.658 20 30 DDEDLN N#C[C@@]1(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)CCCOC1 ZINC001362426212 883781873 /nfs/dbraw/zinc/78/18/73/883781873.db2.gz KZIMCFWUKQWHHV-HNNXBMFYSA-N 0 2 313.317 1.436 20 30 DDEDLN CC(C)CC[C@@H]1CCC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001364145162 888020797 /nfs/dbraw/zinc/02/07/97/888020797.db2.gz BBKPCPBYJJMXAB-AAEUAGOBSA-N 0 2 304.394 1.962 20 30 DDEDLN C=CCC(CC=C)C(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[nH]1 ZINC001234516551 888044483 /nfs/dbraw/zinc/04/44/83/888044483.db2.gz FNHHNWQVBCQTLK-ZDUSSCGKSA-N 0 2 319.409 1.311 20 30 DDEDLN C#CCCCC(=O)N(C)C[C@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001289961954 913293601 /nfs/dbraw/zinc/29/36/01/913293601.db2.gz PAZJTBBJTFSNBR-ZYHUDNBSSA-N 0 2 322.302 1.750 20 30 DDEDLN C#CCCCC(=O)N(C)C[C@H]1CCN1C(=O)[C@@H](F)C(F)(F)F ZINC001289961954 913293621 /nfs/dbraw/zinc/29/36/21/913293621.db2.gz PAZJTBBJTFSNBR-ZYHUDNBSSA-N 0 2 322.302 1.750 20 30 DDEDLN C[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@@H](C2CC2)O1 ZINC001364696573 889218991 /nfs/dbraw/zinc/21/89/91/889218991.db2.gz ZQPDYLWCIGKYEF-YGRLFVJLSA-N 0 2 313.361 1.306 20 30 DDEDLN C[C@@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@@H](C2CC2)O1 ZINC001364696573 889219002 /nfs/dbraw/zinc/21/90/02/889219002.db2.gz ZQPDYLWCIGKYEF-YGRLFVJLSA-N 0 2 313.361 1.306 20 30 DDEDLN Cn1c(=O)[nH]c(NCc2ccccc2OC(F)F)c(C#N)c1=O ZINC001365210802 890359113 /nfs/dbraw/zinc/35/91/13/890359113.db2.gz ZZLZKYVPQRBABL-UHFFFAOYSA-N 0 2 322.271 1.159 20 30 DDEDLN N#CC1(c2ccc(F)cc2)CCC([NH2+]CS(=O)(=O)[O-])CC1 ZINC001254347142 896381322 /nfs/dbraw/zinc/38/13/22/896381322.db2.gz COWFYYLKQXLLKZ-UHFFFAOYSA-N 0 2 312.366 1.965 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N(C)CC1CC1 ZINC001262941057 900427343 /nfs/dbraw/zinc/42/73/43/900427343.db2.gz ANDAOPLZMDPULE-UHFFFAOYSA-N 0 2 302.382 1.899 20 30 DDEDLN N#CC(C(=O)C1(n2cnnn2)CCCCC1)c1cccc(F)n1 ZINC001263385432 900598764 /nfs/dbraw/zinc/59/87/64/900598764.db2.gz SMEUSVNBYKJRDL-LLVKDONJSA-N 0 2 314.324 1.743 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001372154739 906593511 /nfs/dbraw/zinc/59/35/11/906593511.db2.gz CKHUAXZLSCBWEV-WPRPVWTQSA-N 0 2 323.290 1.401 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001372154739 906593519 /nfs/dbraw/zinc/59/35/19/906593519.db2.gz CKHUAXZLSCBWEV-WPRPVWTQSA-N 0 2 323.290 1.401 20 30 DDEDLN CC(C)(C)C#CC(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001284913471 909723786 /nfs/dbraw/zinc/72/37/86/909723786.db2.gz LVQBTLKIQWMOHI-SNVBAGLBSA-N 0 2 308.275 1.263 20 30 DDEDLN CC(C)(C)C#CC(=O)N1CC(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001284913471 909723798 /nfs/dbraw/zinc/72/37/98/909723798.db2.gz LVQBTLKIQWMOHI-SNVBAGLBSA-N 0 2 308.275 1.263 20 30 DDEDLN CNC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(C)cs2)cn1 ZINC000348559052 529935593 /nfs/dbraw/zinc/93/55/93/529935593.db2.gz YDSFTTNPFJXJFX-SNVBAGLBSA-N 0 2 300.343 1.696 20 30 DDEDLN CNC(=O)c1ccc(C(=O)C(C#N)c2nc(C)cs2)cn1 ZINC000348559052 529935594 /nfs/dbraw/zinc/93/55/94/529935594.db2.gz YDSFTTNPFJXJFX-SNVBAGLBSA-N 0 2 300.343 1.696 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000359723190 539488263 /nfs/dbraw/zinc/48/82/63/539488263.db2.gz HRFLFXXCLGHGKC-UHFFFAOYSA-N 0 2 320.352 1.891 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@H]3COC[C@]3(C)C2)cc1C#N ZINC000598232286 357502092 /nfs/dbraw/zinc/50/20/92/357502092.db2.gz OZGDMIINIXZKND-BONVTDFDSA-N 0 2 319.386 1.489 20 30 DDEDLN CSc1[n-]c(=O)c(C(=O)N[C@@H](C)c2[nH+]ccn2C)cc1C#N ZINC000598459667 357591335 /nfs/dbraw/zinc/59/13/35/357591335.db2.gz KPUKWHVPGVPUCS-QMMMGPOBSA-N 0 2 317.374 1.605 20 30 DDEDLN COC(C)(C)c1nc(=NC(=O)C2(C#N)CC3(CC3)C2)s[nH]1 ZINC000601795839 358698367 /nfs/dbraw/zinc/69/83/67/358698367.db2.gz MIVLGNFBFBEKGY-UHFFFAOYSA-N 0 2 306.391 1.864 20 30 DDEDLN CC1=NN(c2ncc(Br)cn2)C(=O)[C@H]1CCC#N ZINC000601933655 358743850 /nfs/dbraw/zinc/74/38/50/358743850.db2.gz FCIPZGWVBAEQOU-VIFPVBQESA-N 0 2 308.139 1.882 20 30 DDEDLN C[C@@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)C[C@H](C)N1CC#N ZINC000603101957 359404612 /nfs/dbraw/zinc/40/46/12/359404612.db2.gz QWAQXDFCWUYEFW-AOOOYVTPSA-N 0 2 309.316 1.729 20 30 DDEDLN N#CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000609337563 360296456 /nfs/dbraw/zinc/29/64/56/360296456.db2.gz XNHBSAHGMKHMNQ-UHFFFAOYSA-N 0 2 304.306 1.018 20 30 DDEDLN COc1cc(C#N)ccc1OCCn1nc(Cl)sc1=O ZINC000194647208 201268969 /nfs/dbraw/zinc/26/89/69/201268969.db2.gz NMLMAAUOWITQPH-UHFFFAOYSA-N 0 2 311.750 1.917 20 30 DDEDLN N#CCCn1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)n1 ZINC000349947739 223398126 /nfs/dbraw/zinc/39/81/26/223398126.db2.gz FPQYYPQFUWUALU-UHFFFAOYSA-N 0 2 320.330 1.326 20 30 DDEDLN N#Cc1ccnc(N2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)c1 ZINC000289985003 221361877 /nfs/dbraw/zinc/36/18/77/221361877.db2.gz YDFSLTGXQJDSEI-LLVKDONJSA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1ccnc(N2CCN(C(=O)C(F)C(F)(F)F)CC2)c1 ZINC000289985003 221361878 /nfs/dbraw/zinc/36/18/78/221361878.db2.gz YDFSLTGXQJDSEI-LLVKDONJSA-N 0 2 316.258 1.502 20 30 DDEDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C1(C#N)CCC1 ZINC000128777347 407570396 /nfs/dbraw/zinc/57/03/96/407570396.db2.gz DWDHTLSDBSZFFL-UHFFFAOYSA-N 0 2 302.359 1.637 20 30 DDEDLN CC(=O)N[C@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)c1ccccc1 ZINC000026268723 406903789 /nfs/dbraw/zinc/90/37/89/406903789.db2.gz KIRKSDKGOXKYHH-GFCCVEGCSA-N 0 2 322.328 1.359 20 30 DDEDLN C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000124253045 407352868 /nfs/dbraw/zinc/35/28/68/407352868.db2.gz LUXHDCDPBKJBOQ-CQSZACIVSA-N 0 2 313.405 1.406 20 30 DDEDLN CSc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)nc1 ZINC000116603735 407762550 /nfs/dbraw/zinc/76/25/50/407762550.db2.gz KZFBEXHEZPYZQK-UHFFFAOYSA-N 0 2 306.372 1.871 20 30 DDEDLN CCCc1cc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)n[nH]1 ZINC000116976763 407802903 /nfs/dbraw/zinc/80/29/03/407802903.db2.gz MYUUQORRRYHTIA-UHFFFAOYSA-N 0 2 317.374 1.896 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccnc(OC3CCC3)c2)[nH]c1C#N ZINC000135560811 408031141 /nfs/dbraw/zinc/03/11/41/408031141.db2.gz PBTBUFRFLQIHNB-UHFFFAOYSA-N 0 2 308.301 1.732 20 30 DDEDLN Cn1ncc(C#N)c1NS(=O)(=O)c1cccc2cnccc21 ZINC000178310950 408803404 /nfs/dbraw/zinc/80/34/04/408803404.db2.gz LSWQHPPYDACOOG-UHFFFAOYSA-N 0 2 313.342 1.641 20 30 DDEDLN CCc1nn(C)cc1NS(=O)(=O)c1ccccc1CC#N ZINC000279959803 409254152 /nfs/dbraw/zinc/25/41/52/409254152.db2.gz NTPUQANOHGFLSD-UHFFFAOYSA-N 0 2 304.375 1.849 20 30 DDEDLN Cc1cc(C)nc(NS(=O)(=O)c2cnc(C)c(C#N)c2)n1 ZINC000314863054 164017219 /nfs/dbraw/zinc/01/72/19/164017219.db2.gz JPNQBZMZFWKPCG-UHFFFAOYSA-N 0 2 303.347 1.469 20 30 DDEDLN Cc1[nH]nc(NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)c1C#N ZINC000357242769 409953177 /nfs/dbraw/zinc/95/31/77/409953177.db2.gz MBHNOWMKGWWFFC-UHFFFAOYSA-N 0 2 310.273 1.598 20 30 DDEDLN COCc1cnc(NS(=O)(=O)c2cccc(C#N)c2)s1 ZINC000351175452 410044974 /nfs/dbraw/zinc/04/49/74/410044974.db2.gz UTSJOIPAZCWGQY-UHFFFAOYSA-N 0 2 309.372 1.962 20 30 DDEDLN Cn1cc(-c2[nH]ncc2C(=O)NCCc2cccc(C#N)c2)cn1 ZINC000343036401 410089833 /nfs/dbraw/zinc/08/98/33/410089833.db2.gz ZHPYTZRFQGCGDG-UHFFFAOYSA-N 0 2 320.356 1.654 20 30 DDEDLN CO[C@@H]1CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC[C@H]1C ZINC000346855371 410199684 /nfs/dbraw/zinc/19/96/84/410199684.db2.gz ZUXPKJRWXACKRT-BXKDBHETSA-N 0 2 321.402 1.878 20 30 DDEDLN COCCS(=O)(=O)Nc1nc(C)c(SCC#N)s1 ZINC000355316521 410439696 /nfs/dbraw/zinc/43/96/96/410439696.db2.gz YDWIENOGGKNMBL-UHFFFAOYSA-N 0 2 307.422 1.455 20 30 DDEDLN COC(=O)c1cnc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000356179065 410881243 /nfs/dbraw/zinc/88/12/43/410881243.db2.gz ZACCZEXTANTOLN-VIFPVBQESA-N 0 2 321.296 1.630 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@]2(O)CCC[C@H]2C)cc1C#N ZINC000359816494 410897384 /nfs/dbraw/zinc/89/73/84/410897384.db2.gz WEODSSRVNBWLTB-RFAUZJTJSA-N 0 2 321.402 1.662 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C(C)C)C(C)(C)O)cc1C#N ZINC000331135417 410970134 /nfs/dbraw/zinc/97/01/34/410970134.db2.gz RTYDRSUTWWLRRD-NSHDSACASA-N 0 2 323.418 1.906 20 30 DDEDLN N#CC(C(=O)c1ccoc1CC(N)=O)c1nc2ccccc2o1 ZINC000353649532 411098133 /nfs/dbraw/zinc/09/81/33/411098133.db2.gz YBDSBAVEYIEQCH-JTQLQIEISA-N 0 2 309.281 1.939 20 30 DDEDLN N#C[C@@H](C(=O)c1ccoc1CC(N)=O)c1nc2ccccc2o1 ZINC000353649532 411098136 /nfs/dbraw/zinc/09/81/36/411098136.db2.gz YBDSBAVEYIEQCH-JTQLQIEISA-N 0 2 309.281 1.939 20 30 DDEDLN Cn1cc(C(N)=O)cc1C(O)=C(C#N)c1cnc2ccccc2n1 ZINC000190900412 222091471 /nfs/dbraw/zinc/09/14/71/222091471.db2.gz OECHRUIPSQQBFV-NSHDSACASA-N 0 2 319.324 1.557 20 30 DDEDLN Cc1cc(C#N)cc(NCc2nnc(COc3ccccc3)[nH]2)n1 ZINC000342868019 418630639 /nfs/dbraw/zinc/63/06/39/418630639.db2.gz ITXLPJACKIYYHT-UHFFFAOYSA-N 0 2 320.356 2.571 20 30 DDEDLN CN1C[C@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)Cc2ccccc21 ZINC000368162472 418698492 /nfs/dbraw/zinc/69/84/92/418698492.db2.gz QPMTZEBZMJFWET-LLVKDONJSA-N 0 2 306.329 1.400 20 30 DDEDLN CCc1nn(C)cc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427336087 419640105 /nfs/dbraw/zinc/64/01/05/419640105.db2.gz HOZSAPHQSSNPIU-UHFFFAOYSA-N 0 2 308.338 1.794 20 30 DDEDLN CCCc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)n(C)n1 ZINC000427766072 419732283 /nfs/dbraw/zinc/73/22/83/419732283.db2.gz NLNHPRFDFYOXTD-UHFFFAOYSA-N 0 2 319.390 1.749 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCO[C@@H](C3CC3)C2)cc1C#N ZINC000548584625 421451173 /nfs/dbraw/zinc/45/11/73/421451173.db2.gz SAMXBRUNNRJUST-GFCCVEGCSA-N 0 2 319.386 1.632 20 30 DDEDLN C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)N(C)C(=O)OC(C)(C)C ZINC000497237934 421393988 /nfs/dbraw/zinc/39/39/88/421393988.db2.gz APAKXWDQLLJEHG-QMMMGPOBSA-N 0 2 318.337 1.347 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)CC2CCC2)cc1C#N ZINC000359337493 269816895 /nfs/dbraw/zinc/81/68/95/269816895.db2.gz YFSWMEUGZWFYRG-LLVKDONJSA-N 0 2 321.402 1.662 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000568384221 421619470 /nfs/dbraw/zinc/61/94/70/421619470.db2.gz IBUSEENOKAQICZ-STQMWFEESA-N 0 2 315.329 1.351 20 30 DDEDLN COC(=O)C[C@H](C)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000349808498 266630418 /nfs/dbraw/zinc/63/04/18/266630418.db2.gz SEJZMNDBOHLGKB-ZETCQYMHSA-N 0 2 309.347 1.062 20 30 DDEDLN CC(C)(C)c1nc(=NC(=O)NCC2(O)CCOCC2)s[nH]1 ZINC000330823254 526852684 /nfs/dbraw/zinc/85/26/84/526852684.db2.gz RDVOUDMZWAAXDW-UHFFFAOYSA-N 0 2 314.411 1.125 20 30 DDEDLN C#CCNC(=O)c1ccccc1NS(=O)(=O)N(C)CC1CC1 ZINC000490668506 527042772 /nfs/dbraw/zinc/04/27/72/527042772.db2.gz ANZVAIXCVZWZAH-UHFFFAOYSA-N 0 2 321.402 1.048 20 30 DDEDLN C#CCN[NH+]=Cc1cc(C(F)(F)F)ccc1N(C)CC(=O)[O-] ZINC000491627843 527045628 /nfs/dbraw/zinc/04/56/28/527045628.db2.gz MTKLBQNTOHKENX-UHFFFAOYSA-N 0 2 313.279 1.783 20 30 DDEDLN CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000737078439 599781557 /nfs/dbraw/zinc/78/15/57/599781557.db2.gz LXGHSTURAOOTRU-WFASDCNBSA-N 0 2 303.362 1.410 20 30 DDEDLN COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@@H](CC(=O)[O-])C1 ZINC000831861262 601453421 /nfs/dbraw/zinc/45/34/21/601453421.db2.gz RUUWJLVTBXTLAD-ZDUSSCGKSA-N 0 2 320.345 1.121 20 30 DDEDLN COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@@H](CC(=O)[O-])C1 ZINC000831861262 601453422 /nfs/dbraw/zinc/45/34/22/601453422.db2.gz RUUWJLVTBXTLAD-ZDUSSCGKSA-N 0 2 320.345 1.121 20 30 DDEDLN CN(C)C(=O)[C@@H]1CC[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)O1 ZINC000091515420 696588870 /nfs/dbraw/zinc/58/88/70/696588870.db2.gz MUFYCOVTPPNINO-LSDPZVTCSA-N 0 2 321.333 1.355 20 30 DDEDLN COCCO[C@@H]1COCC[C@@H]1/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000776721907 698133202 /nfs/dbraw/zinc/13/32/02/698133202.db2.gz KLIQFCOHVUWAHX-KTYRJHHFSA-N 0 2 324.333 1.540 20 30 DDEDLN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)C[C@@H]1SC(=N)NC1=O ZINC000787841645 699248381 /nfs/dbraw/zinc/24/83/81/699248381.db2.gz APXVOYXCGHIHLJ-NEPJUHHUSA-N 0 2 314.370 1.218 20 30 DDEDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@]1(C#N)CCSC1 ZINC000789919313 699421599 /nfs/dbraw/zinc/42/15/99/699421599.db2.gz IOWZMPHNCBMHLA-KWQFWETISA-N 0 2 323.340 1.205 20 30 DDEDLN C#CCOCCNC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000790021186 699434442 /nfs/dbraw/zinc/43/44/42/699434442.db2.gz UXFNQQBZVNANJO-UHFFFAOYSA-N 0 2 319.748 1.611 20 30 DDEDLN N#C[C@H](C(=O)[C@@H]1CCCN(C(N)=O)C1)c1cnc2ccccc2n1 ZINC000792114676 699676376 /nfs/dbraw/zinc/67/63/76/699676376.db2.gz LCOGPPKMEVSKFC-NEPJUHHUSA-N 0 2 323.356 1.597 20 30 DDEDLN C=CCOCC(=O)N1CCCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000737532257 699742093 /nfs/dbraw/zinc/74/20/93/699742093.db2.gz AMQNOTSIHWLXNE-UHFFFAOYSA-N 0 2 319.361 1.021 20 30 DDEDLN C=CC[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccncc1 ZINC000742677941 699886389 /nfs/dbraw/zinc/88/63/89/699886389.db2.gz UEOMRHDKZVYZPH-GHMZBOCLSA-N 0 2 304.375 1.371 20 30 DDEDLN CCn1c(=O)c2ccc(C(=O)NCCCC#N)cc2[nH]c1=S ZINC000752842468 700391505 /nfs/dbraw/zinc/39/15/05/700391505.db2.gz RKNXRFWDHXLXOW-UHFFFAOYSA-N 0 2 316.386 1.739 20 30 DDEDLN C#CC[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccccc1 ZINC000757620737 700666310 /nfs/dbraw/zinc/66/63/10/700666310.db2.gz DABIOZUUNIRMNH-NEPJUHHUSA-N 0 2 301.371 1.424 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N\CCS(=O)(=O)CC2CC2)c1 ZINC000764412361 700969761 /nfs/dbraw/zinc/96/97/61/700969761.db2.gz BLBSYDAMNBORKC-ZSOIEALJSA-N 0 2 312.347 1.544 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(C=NNCCOCC(F)(F)F)c1 ZINC000765593233 701020312 /nfs/dbraw/zinc/02/03/12/701020312.db2.gz JPKJWKREBRJGGA-UHFFFAOYSA-N 0 2 307.228 1.803 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1ncc(C)cn1 ZINC000766500707 701054248 /nfs/dbraw/zinc/05/42/48/701054248.db2.gz HITOJXPGICMJQK-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN NC(=O)Cc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000811624852 702018418 /nfs/dbraw/zinc/01/84/18/702018418.db2.gz UKHSXJWLQNGRAR-VCHYOVAHSA-N 0 2 313.313 1.947 20 30 DDEDLN CCc1ccc([C@H](C#N)NC(=O)C[C@H]2SC(=N)NC2=O)cc1 ZINC000813676596 702396312 /nfs/dbraw/zinc/39/63/12/702396312.db2.gz OXEQYNDROJSJRG-NWDGAFQWSA-N 0 2 316.386 1.486 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2CCC(=O)C2)n1 ZINC000842699542 702758953 /nfs/dbraw/zinc/75/89/53/702758953.db2.gz AMPHAAWIBBUVDZ-WPRPVWTQSA-N 0 2 306.343 1.865 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H]2CCC(=O)C2)n1 ZINC000842699542 702758955 /nfs/dbraw/zinc/75/89/55/702758955.db2.gz AMPHAAWIBBUVDZ-WPRPVWTQSA-N 0 2 306.343 1.865 20 30 DDEDLN COCCN(C[C@H](O)C(F)(F)F)C(=O)C(F)C(F)(F)F ZINC000848261631 703533300 /nfs/dbraw/zinc/53/33/00/703533300.db2.gz NPSRDCCSVKPHGO-NTSWFWBYSA-N 0 2 315.185 1.285 20 30 DDEDLN COCCN(C[C@H](O)C(F)(F)F)C(=O)[C@@H](F)C(F)(F)F ZINC000848261631 703533301 /nfs/dbraw/zinc/53/33/01/703533301.db2.gz NPSRDCCSVKPHGO-NTSWFWBYSA-N 0 2 315.185 1.285 20 30 DDEDLN CCO[C@@H]1COCC[C@@H]1CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000870244164 703971490 /nfs/dbraw/zinc/97/14/90/703971490.db2.gz VLRSVSGRTNZDTI-MBNYWOFBSA-N 0 2 319.361 1.143 20 30 DDEDLN CCC[C@H](C#N)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000858994384 704782055 /nfs/dbraw/zinc/78/20/55/704782055.db2.gz KMGKPWBYZOKCPD-MRVPVSSYSA-N 0 2 317.267 1.880 20 30 DDEDLN C[C@@H]1C[C@@H]1/N=C1/NC(=O)C(CC(=O)Nc2cccc(O)c2)S1 ZINC000864344909 706143284 /nfs/dbraw/zinc/14/32/84/706143284.db2.gz JVISRLQCBMDVBK-ZHAHWJHGSA-N 0 2 319.386 1.717 20 30 DDEDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc(C#N)o2)C1 ZINC000830794800 706580776 /nfs/dbraw/zinc/58/07/76/706580776.db2.gz CBVMNFFONNQPDG-LBPRGKRZSA-N 0 2 315.251 1.434 20 30 DDEDLN Cc1cccc2c1O[C@@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C2 ZINC000835234975 707201395 /nfs/dbraw/zinc/20/13/95/707201395.db2.gz LLHZYOAFKNGHAE-QWHCGFSZSA-N 0 2 309.325 1.624 20 30 DDEDLN O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)C(F)C(F)(F)F ZINC000882555638 707693522 /nfs/dbraw/zinc/69/35/22/707693522.db2.gz CIJZKMZNFRQAEX-PWNYCUMCSA-N 0 2 307.112 1.562 20 30 DDEDLN C[C@@H](CC#N)n1[nH]c2c(c1=O)CCN(C(=O)OC(C)(C)C)C2 ZINC000887287429 709007674 /nfs/dbraw/zinc/00/76/74/709007674.db2.gz ZFFNVIFZHBFATF-QWRGUYRKSA-N 0 2 306.366 1.744 20 30 DDEDLN N#CC[C@@H](NS(=O)(=O)c1c[nH]nc1Cl)C(F)(F)F ZINC000901773243 710146447 /nfs/dbraw/zinc/14/64/47/710146447.db2.gz XMXOZVATOBHMCP-RXMQYKEDSA-N 0 2 302.665 1.186 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000892863892 710515072 /nfs/dbraw/zinc/51/50/72/710515072.db2.gz QJOVXWYKCHJXPL-VXGBXAGGSA-N 0 2 301.346 1.661 20 30 DDEDLN CNC(=O)CC1SC(=Nc2cnn(C)c2)N(CC(C)C)C1=O ZINC000906546501 712351335 /nfs/dbraw/zinc/35/13/35/712351335.db2.gz UNMCXLCXNHIIAO-LLVKDONJSA-N 0 2 323.422 1.144 20 30 DDEDLN CNC(=O)C[C@H]1SC(=Nc2cnn(C)c2)N(CC(C)C)C1=O ZINC000906546501 712351336 /nfs/dbraw/zinc/35/13/36/712351336.db2.gz UNMCXLCXNHIIAO-LLVKDONJSA-N 0 2 323.422 1.144 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000965917609 717813849 /nfs/dbraw/zinc/81/38/49/717813849.db2.gz XWWDMMXFGSCGOS-GZMMTYOYSA-N 0 2 312.801 1.616 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000965917609 717813852 /nfs/dbraw/zinc/81/38/52/717813852.db2.gz XWWDMMXFGSCGOS-GZMMTYOYSA-N 0 2 312.801 1.616 20 30 DDEDLN CCCCO[C@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1(C)C ZINC001120901139 782220830 /nfs/dbraw/zinc/22/08/30/782220830.db2.gz ICHOJZPMGBWIIZ-RYUDHWBXSA-N 0 2 320.393 1.341 20 30 DDEDLN N#Cc1ccc(NC2(CNC(=O)C(F)C(F)(F)F)CC2)cn1 ZINC001110375779 744344141 /nfs/dbraw/zinc/34/41/41/744344141.db2.gz UOOFLJAKMPUUQT-JTQLQIEISA-N 0 2 316.258 1.914 20 30 DDEDLN N#Cc1ccc(NC2(CNC(=O)[C@H](F)C(F)(F)F)CC2)cn1 ZINC001110375779 744344144 /nfs/dbraw/zinc/34/41/44/744344144.db2.gz UOOFLJAKMPUUQT-JTQLQIEISA-N 0 2 316.258 1.914 20 30 DDEDLN N#Cc1ccc(F)c(S(=O)(=O)Nc2cnc3cnccn32)c1 ZINC001190619318 745260745 /nfs/dbraw/zinc/26/07/45/745260745.db2.gz HKWVTKIEDXYCGL-UHFFFAOYSA-N 0 2 317.305 1.541 20 30 DDEDLN COc1cc(C#N)c(F)cc1NS(=O)(=O)c1ccncc1 ZINC001190897906 745371447 /nfs/dbraw/zinc/37/14/47/745371447.db2.gz MKTUGRGAAZWPFU-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001033865391 749992060 /nfs/dbraw/zinc/99/20/60/749992060.db2.gz RNBBHRZHDKYWLX-RRFJBIMHSA-N 0 2 300.406 1.459 20 30 DDEDLN CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC001080679465 756044004 /nfs/dbraw/zinc/04/40/04/756044004.db2.gz GMYIFJHIBLSMPE-RHSMWYFYSA-N 0 2 323.400 1.341 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1cnc(C#N)cn1 ZINC001113933854 766423247 /nfs/dbraw/zinc/42/32/47/766423247.db2.gz FIIRPYHXVLPCAO-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1cnc(C#N)cn1 ZINC001113933854 766423254 /nfs/dbraw/zinc/42/32/54/766423254.db2.gz FIIRPYHXVLPCAO-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC(C)(OC)C1 ZINC001121615872 782593552 /nfs/dbraw/zinc/59/35/52/782593552.db2.gz WXHMUYBFDYOTKX-UHFFFAOYSA-N 0 2 309.761 1.128 20 30 DDEDLN C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001131972714 768519006 /nfs/dbraw/zinc/51/90/06/768519006.db2.gz USSSANUZKCSODQ-CHWSQXEVSA-N 0 2 319.409 1.173 20 30 DDEDLN C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001131972714 768519008 /nfs/dbraw/zinc/51/90/08/768519008.db2.gz USSSANUZKCSODQ-CHWSQXEVSA-N 0 2 319.409 1.173 20 30 DDEDLN C[C@H](CCNC(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001099742630 775211780 /nfs/dbraw/zinc/21/17/80/775211780.db2.gz VLFQDZSFWKDNBZ-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNC(=O)[C@@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001099742630 775211784 /nfs/dbraw/zinc/21/17/84/775211784.db2.gz VLFQDZSFWKDNBZ-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN CN(CCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)cn1 ZINC001100367138 776061149 /nfs/dbraw/zinc/06/11/49/776061149.db2.gz TUAQCZVPHSRBHG-JTQLQIEISA-N 0 2 304.247 1.406 20 30 DDEDLN CN(CCNC(=O)[C@H](F)C(F)(F)F)c1ccc(C#N)cn1 ZINC001100367138 776061155 /nfs/dbraw/zinc/06/11/55/776061155.db2.gz TUAQCZVPHSRBHG-JTQLQIEISA-N 0 2 304.247 1.406 20 30 DDEDLN CC[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001103341175 778801774 /nfs/dbraw/zinc/80/17/74/778801774.db2.gz VWDSDDGDUJLKCI-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001103341175 778801784 /nfs/dbraw/zinc/80/17/84/778801784.db2.gz VWDSDDGDUJLKCI-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN N#Cc1c(N)nn(C(=O)c2cc3cccc(O)c3cc2O)c1N ZINC001149649804 861784067 /nfs/dbraw/zinc/78/40/67/861784067.db2.gz FBBZWVUNMNKZPK-UHFFFAOYSA-N 0 2 309.285 1.172 20 30 DDEDLN Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(C#N)ccc1F ZINC001190616061 851137609 /nfs/dbraw/zinc/13/76/09/851137609.db2.gz IIUUHWCCQIUJGG-UHFFFAOYSA-N 0 2 308.338 1.849 20 30 DDEDLN C=CC[C@@](C)(NC(=O)c1c[nH]c2cccnc2c1=O)C(=O)OC ZINC001153863523 864177227 /nfs/dbraw/zinc/17/72/27/864177227.db2.gz QVKUWURKLUHQRW-MRXNPFEDSA-N 0 2 315.329 1.161 20 30 DDEDLN N#Cc1nn(Cc2nc(=O)c3sccc3[nH]2)cc1[N+](=O)[O-] ZINC001166564702 870065195 /nfs/dbraw/zinc/06/51/95/870065195.db2.gz KZYCZJHCYHFVHV-UHFFFAOYSA-N 0 2 302.275 1.422 20 30 DDEDLN C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CCCOCC1 ZINC001341750534 871803350 /nfs/dbraw/zinc/80/33/50/871803350.db2.gz QZXCWLQLNANQAK-UHFFFAOYSA-N 0 2 323.788 1.519 20 30 DDEDLN CC(C)NC(=O)C(C#N)=C([O-])c1cccc(Cn2cc[nH+]c2)c1 ZINC001342052876 871972062 /nfs/dbraw/zinc/97/20/62/871972062.db2.gz JETMSIYOPRKBSQ-HNNXBMFYSA-N 0 2 310.357 1.778 20 30 DDEDLN C=C1O[C@H](CC)C(=O)C1Oc1cc(=O)[nH]c(N2CCOCC2)n1 ZINC001226729690 882615743 /nfs/dbraw/zinc/61/57/43/882615743.db2.gz ZIXPWSDZVJKHDL-SNVBAGLBSA-N 0 2 321.333 1.007 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001343617700 872688778 /nfs/dbraw/zinc/68/87/78/872688778.db2.gz MVSZMGCYTXLPHV-RRFJBIMHSA-N 0 2 318.336 1.987 20 30 DDEDLN Cc1cccc(OCCCNc2[nH]c(=O)n(C)c(=O)c2C#N)c1 ZINC001347880900 874299053 /nfs/dbraw/zinc/29/90/53/874299053.db2.gz XBXZYNVAZZIUBU-UHFFFAOYSA-N 0 2 314.345 1.135 20 30 DDEDLN O=C(C#CC1CC1)NC[C@@H](NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001353104830 877123430 /nfs/dbraw/zinc/12/34/30/877123430.db2.gz WJYPMNXJFPIAON-PWSUYJOCSA-N 0 2 320.286 1.311 20 30 DDEDLN O=C(C#CC1CC1)NC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001353104830 877123438 /nfs/dbraw/zinc/12/34/38/877123438.db2.gz WJYPMNXJFPIAON-PWSUYJOCSA-N 0 2 320.286 1.311 20 30 DDEDLN C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)n2c[nH+]c(C)c2)[C@@H](O)C1 ZINC001219864193 878552367 /nfs/dbraw/zinc/55/23/67/878552367.db2.gz JXCKSLMQDUERTE-CABCVRRESA-N 0 2 320.437 1.054 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCCO[C@@H](C)C1 ZINC001356153047 878891177 /nfs/dbraw/zinc/89/11/77/878891177.db2.gz SRCSTOOPHUEIQH-VIFPVBQESA-N 0 2 323.788 1.518 20 30 DDEDLN C[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C2(CCC2)CO1 ZINC001414013590 881012572 /nfs/dbraw/zinc/01/25/72/881012572.db2.gz WDGJDGHUDFLVGO-NSHDSACASA-N 0 2 313.361 1.450 20 30 DDEDLN C[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C2(CCC2)CO1 ZINC001414013590 881012591 /nfs/dbraw/zinc/01/25/91/881012591.db2.gz WDGJDGHUDFLVGO-NSHDSACASA-N 0 2 313.361 1.450 20 30 DDEDLN C=CC[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001278918545 897304856 /nfs/dbraw/zinc/30/48/56/897304856.db2.gz RHXKHTBBCAMGDN-HUUCEWRRSA-N 0 2 304.438 1.878 20 30 DDEDLN CCn1nccc1C(=O)[C@@H](C#N)c1nc(N)c2ccccc2n1 ZINC001263292601 900559679 /nfs/dbraw/zinc/55/96/79/900559679.db2.gz MMNDWXHELYEWCO-LLVKDONJSA-N 0 2 306.329 1.918 20 30 DDEDLN CCCN(CCNC(=O)C(F)C(F)(F)F)C(=O)C#CC1CC1 ZINC001296511436 916459547 /nfs/dbraw/zinc/45/95/47/916459547.db2.gz QRNHNCMKFNIAQD-GFCCVEGCSA-N 0 2 322.302 1.655 20 30 DDEDLN CCCN(CCNC(=O)[C@@H](F)C(F)(F)F)C(=O)C#CC1CC1 ZINC001296511436 916459560 /nfs/dbraw/zinc/45/95/60/916459560.db2.gz QRNHNCMKFNIAQD-GFCCVEGCSA-N 0 2 322.302 1.655 20 30 DDEDLN N#C[C@@]1(F)CCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000615825755 362455168 /nfs/dbraw/zinc/45/51/68/362455168.db2.gz NJWXNSOMRYZSFP-HNNXBMFYSA-N 0 2 318.283 1.795 20 30 DDEDLN C=CCNC(=O)c1ccccc1NS(=O)(=O)N(C)CCC ZINC000268761502 186382536 /nfs/dbraw/zinc/38/25/36/186382536.db2.gz HKTQSHUKLSPQHJ-UHFFFAOYSA-N 0 2 311.407 1.601 20 30 DDEDLN O=C(NC1=NC(=O)CN1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000050222259 352564153 /nfs/dbraw/zinc/56/41/53/352564153.db2.gz GQOLYKGAQTVKFL-LBPRGKRZSA-N 0 2 303.318 1.035 20 30 DDEDLN Cc1nc(-c2cccs2)sc1C(=O)NC1=NC(=O)CN1 ZINC000050222321 352564680 /nfs/dbraw/zinc/56/46/80/352564680.db2.gz JWDQLASDJGNPJY-UHFFFAOYSA-N 0 2 306.372 1.970 20 30 DDEDLN CC[C@@H](CS(=O)(=O)Nc1n[nH]c2cc(C#N)c(C)cc21)OC ZINC000593287468 355846366 /nfs/dbraw/zinc/84/63/66/355846366.db2.gz NFFQXSPNMKQQKM-NSHDSACASA-N 0 2 322.390 1.910 20 30 DDEDLN N#Cc1ccc(C(=O)NCc2n[nH]c([C@H]3CCCO3)n2)cc1O ZINC000594387153 356193064 /nfs/dbraw/zinc/19/30/64/356193064.db2.gz UDIFBHWPFNREQJ-GFCCVEGCSA-N 0 2 313.317 1.163 20 30 DDEDLN CCN(C(=O)C1=NN(c2ccc(OC)cc2)CC1=O)[C@@H](C)C#N ZINC000598359588 357551694 /nfs/dbraw/zinc/55/16/94/357551694.db2.gz OSWMKPOMQPEJKO-NSHDSACASA-N 0 2 314.345 1.961 20 30 DDEDLN C[C@@H]1CN(C(=O)c2c(O)cc(F)cc2F)C[C@H](C)N1CC#N ZINC000603097797 359401290 /nfs/dbraw/zinc/40/12/90/359401290.db2.gz GKCDVEUSLRWAJY-AOOOYVTPSA-N 0 2 309.316 1.729 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c(OC)n1 ZINC000604571268 359771947 /nfs/dbraw/zinc/77/19/47/359771947.db2.gz IKQBUGCLIVTXBS-UHFFFAOYSA-N 0 2 320.330 1.166 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2ccc(C#N)nc2)n(CCC#N)n1 ZINC000608927421 360252780 /nfs/dbraw/zinc/25/27/80/360252780.db2.gz MYYXBOQLTNQIFZ-UHFFFAOYSA-N 0 2 316.346 1.173 20 30 DDEDLN CCOCc1nnc(NS(=O)(=O)c2ccc(C#N)cc2C)o1 ZINC000194963299 201317924 /nfs/dbraw/zinc/31/79/24/201317924.db2.gz PWRHKRHHUDRNDE-UHFFFAOYSA-N 0 2 322.346 1.587 20 30 DDEDLN CCOCCCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000341058682 251358606 /nfs/dbraw/zinc/35/86/06/251358606.db2.gz VZJQGPXPDAXWOU-UHFFFAOYSA-N 0 2 309.391 1.927 20 30 DDEDLN Cc1nc(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)no1 ZINC000125664241 407394790 /nfs/dbraw/zinc/39/47/90/407394790.db2.gz CIRVFIPTRRXEPZ-UHFFFAOYSA-N 0 2 314.273 1.006 20 30 DDEDLN C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152205004 407582924 /nfs/dbraw/zinc/58/29/24/407582924.db2.gz YXOMTIMKDBQLJX-YPMHNXCESA-N 0 2 303.410 1.552 20 30 DDEDLN COCc1csc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000115928355 407713839 /nfs/dbraw/zinc/71/38/39/407713839.db2.gz DWXWLOHFPYPZQT-UHFFFAOYSA-N 0 2 309.372 1.962 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1 ZINC000116710648 407770616 /nfs/dbraw/zinc/77/06/16/407770616.db2.gz CZWLRQOTIMWKPY-UHFFFAOYSA-N 0 2 312.301 1.821 20 30 DDEDLN C=C(C)C[N@@H+](C)CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000181270264 407974270 /nfs/dbraw/zinc/97/42/70/407974270.db2.gz LNTJASSGHBTDGG-UHFFFAOYSA-N 0 2 323.481 1.646 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1nc2ncccn2n1 ZINC000172240945 162265629 /nfs/dbraw/zinc/26/56/29/162265629.db2.gz JCRSFCWMZXKCSL-UHFFFAOYSA-N 0 2 314.330 1.105 20 30 DDEDLN COC(=O)c1ccccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000320452614 164042514 /nfs/dbraw/zinc/04/25/14/164042514.db2.gz XTJJGALWKKZPQT-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN Cn1cc(C#N)cc1C(=O)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000408072884 164218172 /nfs/dbraw/zinc/21/81/72/164218172.db2.gz OGMWSDZZJCSOLN-SNVBAGLBSA-N 0 2 300.322 1.088 20 30 DDEDLN CN(C)c1ncccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000357386631 410006648 /nfs/dbraw/zinc/00/66/48/410006648.db2.gz KRALCPRSOHKUTP-UHFFFAOYSA-N 0 2 303.347 1.215 20 30 DDEDLN CC(C)(C)n1cnc(=NC(=O)N2CC(NC(=O)C3CC3)C2)[nH]1 ZINC000329032519 410063038 /nfs/dbraw/zinc/06/30/38/410063038.db2.gz LSSNIIHOTDTWPT-UHFFFAOYSA-N 0 2 306.370 1.616 20 30 DDEDLN CC[N@@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000330194164 410583327 /nfs/dbraw/zinc/58/33/27/410583327.db2.gz OOUSLZNTSNBQRK-HZSPNIEDSA-N 0 2 305.426 1.526 20 30 DDEDLN CC[N@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000330194164 410583331 /nfs/dbraw/zinc/58/33/31/410583331.db2.gz OOUSLZNTSNBQRK-HZSPNIEDSA-N 0 2 305.426 1.526 20 30 DDEDLN COCc1cccc(S(=O)(=O)Nc2cc(C#N)ccn2)c1 ZINC000352876091 410683640 /nfs/dbraw/zinc/68/36/40/410683640.db2.gz JTQFLDXIJYLEEL-UHFFFAOYSA-N 0 2 303.343 1.900 20 30 DDEDLN COC(=O)c1cnc(C(=O)C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000356179061 410882639 /nfs/dbraw/zinc/88/26/39/410882639.db2.gz ZACCZEXTANTOLN-SECBINFHSA-N 0 2 321.296 1.630 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)NCc1cn[nH]c1C ZINC000344303937 411081070 /nfs/dbraw/zinc/08/10/70/411081070.db2.gz MJSKDNAGAXDYES-UHFFFAOYSA-N 0 2 306.347 1.077 20 30 DDEDLN C=CCN(CCOC)C(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000191789773 222110526 /nfs/dbraw/zinc/11/05/26/222110526.db2.gz KYMLKQVAMUVOJH-UHFFFAOYSA-N 0 2 301.346 1.918 20 30 DDEDLN N#CC(C(=O)c1ccc(C(N)=O)o1)c1cnc2ccccc2n1 ZINC000361520522 418668912 /nfs/dbraw/zinc/66/89/12/418668912.db2.gz UPZTYDWKTANETD-SECBINFHSA-N 0 2 306.281 1.812 20 30 DDEDLN Cc1ccc(N2CCC(=C([O-])[NH+]=C3C[C@@H](C)ON3)C2=O)cc1 ZINC000372326854 418855583 /nfs/dbraw/zinc/85/55/83/418855583.db2.gz VYHXMQNUKAOZOH-YPMHNXCESA-N 0 2 301.346 1.586 20 30 DDEDLN C=C[C@H]1CCCCN1C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000488882589 421123499 /nfs/dbraw/zinc/12/34/99/421123499.db2.gz PLZBMNAHGGDYGV-JTQLQIEISA-N 0 2 314.345 1.925 20 30 DDEDLN N#CCc1cccc(S(=O)(=O)Nc2nc3ccccn3n2)c1 ZINC000619569635 422530171 /nfs/dbraw/zinc/53/01/71/422530171.db2.gz HFWWBOKQGYSDSO-UHFFFAOYSA-N 0 2 313.342 1.596 20 30 DDEDLN C=CCCn1cc(CN2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)nn1 ZINC000653677406 423575680 /nfs/dbraw/zinc/57/56/80/423575680.db2.gz QZMQOJDKMHRPKE-LLVKDONJSA-N 0 2 303.370 1.058 20 30 DDEDLN Cc1nn(Cc2nc(=O)c3sccc3[nH]2)c(=O)c(C#N)c1C ZINC000347972017 269991417 /nfs/dbraw/zinc/99/14/17/269991417.db2.gz RZSQHTPARYBNSG-UHFFFAOYSA-N 0 2 313.342 1.490 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccncc1[N+](=O)[O-] ZINC000347323056 267396480 /nfs/dbraw/zinc/39/64/80/267396480.db2.gz CZVMTDXSJIJALP-UHFFFAOYSA-N 0 2 318.314 1.393 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1F ZINC000357465207 268162151 /nfs/dbraw/zinc/16/21/51/268162151.db2.gz HWIDZOOPKBRGFG-UHFFFAOYSA-N 0 2 306.322 1.641 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)o1 ZINC000342465747 268209854 /nfs/dbraw/zinc/20/98/54/268209854.db2.gz OIJUMHKYDQFBAG-UHFFFAOYSA-N 0 2 306.275 1.741 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2C(C)(C)O)cc1C#N ZINC000345444612 272252665 /nfs/dbraw/zinc/25/26/65/272252665.db2.gz JAJLPHRRHLQYAD-NSHDSACASA-N 0 2 321.402 1.756 20 30 DDEDLN N#Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000425250295 303205604 /nfs/dbraw/zinc/20/56/04/303205604.db2.gz FPAQYOILLLOTLW-SNVBAGLBSA-N 0 2 314.305 1.674 20 30 DDEDLN C=CCOC[C@H](NC(=O)c1cc(F)c(O)c(F)c1)C(=O)OC ZINC000436527954 526807756 /nfs/dbraw/zinc/80/77/56/526807756.db2.gz FTXHYUMVRYHDGS-NSHDSACASA-N 0 2 315.272 1.144 20 30 DDEDLN N#CCCN(C(=O)C[N@H+]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000821320782 597434257 /nfs/dbraw/zinc/43/42/57/597434257.db2.gz YIOKOMJFPVHTFT-HNNXBMFYSA-N 0 2 315.373 1.872 20 30 DDEDLN N#CCCN(C(=O)C[N@@H+]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000821320782 597434258 /nfs/dbraw/zinc/43/42/58/597434258.db2.gz YIOKOMJFPVHTFT-HNNXBMFYSA-N 0 2 315.373 1.872 20 30 DDEDLN N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2CNC(=O)[O-])c1 ZINC000831152314 603576167 /nfs/dbraw/zinc/57/61/67/603576167.db2.gz CLRGTLIOUBQXQR-ZDUSSCGKSA-N 0 2 302.334 1.229 20 30 DDEDLN N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2CNC(=O)[O-])c1 ZINC000831152314 603576170 /nfs/dbraw/zinc/57/61/70/603576170.db2.gz CLRGTLIOUBQXQR-ZDUSSCGKSA-N 0 2 302.334 1.229 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])C[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000833968147 605683582 /nfs/dbraw/zinc/68/35/82/605683582.db2.gz UNERLYVIILFQEN-UKRRQHHQSA-N 0 2 311.345 1.464 20 30 DDEDLN CCc1nn(CCCCC#N)c(=O)c(-c2nn[nH]n2)c1CC ZINC000821517818 606822153 /nfs/dbraw/zinc/82/21/53/606822153.db2.gz OMGFXWDUVOFAFQ-UHFFFAOYSA-N 0 2 301.354 1.242 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)NCCF)cc2[nH]c1=S ZINC000798061333 700039690 /nfs/dbraw/zinc/03/96/90/700039690.db2.gz XZNPGMLJOMRHLM-UHFFFAOYSA-N 0 2 307.350 1.571 20 30 DDEDLN N#Cc1cccc(C2(NC(=O)C[C@@H]3SC(=N)NC3=O)CC2)c1 ZINC000749015256 700144215 /nfs/dbraw/zinc/14/42/15/700144215.db2.gz GYZZNZQKOPTEEH-NSHDSACASA-N 0 2 314.370 1.220 20 30 DDEDLN CCOc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)co1 ZINC000773990438 697831369 /nfs/dbraw/zinc/83/13/69/697831369.db2.gz VGJMJSDMUVJAIG-VIFPVBQESA-N 0 2 300.274 1.429 20 30 DDEDLN Cn1cc(/C=C\C(=O)c2cc(Cl)ccc2O)c(=O)n(C)c1=O ZINC000255596557 698421168 /nfs/dbraw/zinc/42/11/68/698421168.db2.gz GQZJSVSTECEUFW-HYXAFXHYSA-N 0 2 320.732 1.339 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CO[C@@H](C)C2)n1 ZINC000784497205 698942823 /nfs/dbraw/zinc/94/28/23/698942823.db2.gz DKSGPJBZMQYJIK-LPEHRKFASA-N 0 2 308.359 1.921 20 30 DDEDLN C#C[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000794059068 699793337 /nfs/dbraw/zinc/79/33/37/699793337.db2.gz BRVKXJWYCWDISI-WDEREUQCSA-N 0 2 321.789 1.687 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)C[C@@H]2CCOC2)n1 ZINC000740539796 699794920 /nfs/dbraw/zinc/79/49/20/699794920.db2.gz UQCUXTNHUYDPIG-UWVGGRQHSA-N 0 2 308.359 1.923 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)s1 ZINC000759151799 700739262 /nfs/dbraw/zinc/73/92/62/700739262.db2.gz PKGCWBPHLHCWFM-UHFFFAOYSA-N 0 2 321.339 1.486 20 30 DDEDLN C=CCS(=O)(=O)[N-]C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000810643361 701808839 /nfs/dbraw/zinc/80/88/39/701808839.db2.gz JRNBTSNWMHEWPS-UHFFFAOYSA-N 0 2 319.386 1.106 20 30 DDEDLN CC[C@H](C(=O)[N-]Oc1cccc(C#N)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000870690003 704104908 /nfs/dbraw/zinc/10/49/08/704104908.db2.gz HCNSYFSVAIHIHD-GDBMZVCRSA-N 0 2 317.389 1.858 20 30 DDEDLN CC[C@H](C(=O)[N-]Oc1cccc(C#N)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000870690003 704104909 /nfs/dbraw/zinc/10/49/09/704104909.db2.gz HCNSYFSVAIHIHD-GDBMZVCRSA-N 0 2 317.389 1.858 20 30 DDEDLN C#CCCCCNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000860019993 705072712 /nfs/dbraw/zinc/07/27/12/705072712.db2.gz BYQVYTRVWBIMKV-UHFFFAOYSA-N 0 2 316.279 1.991 20 30 DDEDLN C#C[C@@H](NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)C(C)C ZINC000861514493 705489815 /nfs/dbraw/zinc/48/98/15/705489815.db2.gz QFJVVDLMPUFNEZ-SNVBAGLBSA-N 0 2 316.279 1.846 20 30 DDEDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2coc(C#N)c2)C1 ZINC000830783944 706578904 /nfs/dbraw/zinc/57/89/04/706578904.db2.gz ATCWGZWGHRDWJT-LBPRGKRZSA-N 0 2 315.251 1.434 20 30 DDEDLN O=C(NCCn1ccc(C(F)(F)F)n1)C(F)(F)C(F)F ZINC000834436991 707053527 /nfs/dbraw/zinc/05/35/27/707053527.db2.gz ZLNSTUDJSLRJJX-UHFFFAOYSA-N 0 2 307.169 1.919 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892862852 710514771 /nfs/dbraw/zinc/51/47/71/710514771.db2.gz FONDARDRKLBHJC-FGNRJIRKSA-N 0 2 303.387 1.986 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC000892864127 710515083 /nfs/dbraw/zinc/51/50/83/710515083.db2.gz RUWLDEAFTJACLS-NEPJUHHUSA-N 0 2 303.362 1.907 20 30 DDEDLN Cn1cc(-c2[nH]ncc2C(=O)NCCC#C[Si](C)(C)C)cn1 ZINC000912328813 711281451 /nfs/dbraw/zinc/28/14/51/711281451.db2.gz RJIRGBGBYWCBNK-UHFFFAOYSA-N 0 2 315.453 1.811 20 30 DDEDLN C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969022660 719928323 /nfs/dbraw/zinc/92/83/23/719928323.db2.gz GWVJCCPZWSCVHF-GJZGRUSLSA-N 0 2 314.433 1.824 20 30 DDEDLN C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)C(F)C(F)(F)F ZINC001067598998 735314545 /nfs/dbraw/zinc/31/45/45/735314545.db2.gz KUHVWOVFIUOYNA-RKDXNWHRSA-N 0 2 311.279 1.353 20 30 DDEDLN C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001067598998 735314548 /nfs/dbraw/zinc/31/45/48/735314548.db2.gz KUHVWOVFIUOYNA-RKDXNWHRSA-N 0 2 311.279 1.353 20 30 DDEDLN C#CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001023686504 735398372 /nfs/dbraw/zinc/39/83/72/735398372.db2.gz UWEVXUYILAGWEE-AWEZNQCLSA-N 0 2 310.401 1.946 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)CNc1cncc(C#N)n1 ZINC001104237426 732738089 /nfs/dbraw/zinc/73/80/89/732738089.db2.gz XYXOMGDJBRFRCS-OIBJUYFYSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)CNc1cncc(C#N)n1 ZINC001104237426 732738098 /nfs/dbraw/zinc/73/80/98/732738098.db2.gz XYXOMGDJBRFRCS-OIBJUYFYSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@@H](CCNc1cncc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001106603272 745826940 /nfs/dbraw/zinc/82/69/40/745826940.db2.gz IFEXYWXSKSFXHP-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@H](F)C(F)(F)F ZINC001106603272 745826949 /nfs/dbraw/zinc/82/69/49/745826949.db2.gz IFEXYWXSKSFXHP-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN CC(C)C[C@H](NC(=O)c1ccc(O)c(F)c1F)C(=O)NO ZINC001192850032 745915981 /nfs/dbraw/zinc/91/59/81/745915981.db2.gz XQMSDJJBEUAICI-QMMMGPOBSA-N 0 2 302.277 1.320 20 30 DDEDLN CCOC(=O)C(C)(C)S(=O)(=O)Nc1cccc(C#N)c1F ZINC001193051804 745956437 /nfs/dbraw/zinc/95/64/37/745956437.db2.gz GUEIUGIHUWINQV-UHFFFAOYSA-N 0 2 314.338 1.781 20 30 DDEDLN CCOC(=O)c1ncncc1NC(=O)c1cccc(C#N)c1O ZINC001193642679 746160330 /nfs/dbraw/zinc/16/03/30/746160330.db2.gz MWKCTBCBDMIZEK-UHFFFAOYSA-N 0 2 312.285 1.483 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2ccc3c(c2)CCNC3=O)c1O ZINC001193653242 746166854 /nfs/dbraw/zinc/16/68/54/746166854.db2.gz WKCZHRHSGDKXOM-UHFFFAOYSA-N 0 2 307.309 1.802 20 30 DDEDLN C[C@H]1[C@H](NC(=O)c2cnn[nH]2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000993545568 746206722 /nfs/dbraw/zinc/20/67/22/746206722.db2.gz VYUBJWQVCCRUEO-SWLSCSKDSA-N 0 2 324.388 1.459 20 30 DDEDLN C#CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nnc2-c2ccccc2)[C@@H]1C ZINC000994489774 746687046 /nfs/dbraw/zinc/68/70/46/746687046.db2.gz VBXQSUSXKYWEFT-DZGCQCFKSA-N 0 2 323.400 1.688 20 30 DDEDLN C#Cc1cc(=NS(=O)(=O)c2ccc(F)c(OC)c2)cc[nH]1 ZINC001200365446 748216360 /nfs/dbraw/zinc/21/63/60/748216360.db2.gz VCLOWDUDNUSXBY-UHFFFAOYSA-N 0 2 306.318 1.433 20 30 DDEDLN C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001000865449 762280456 /nfs/dbraw/zinc/28/04/56/762280456.db2.gz BLSCNMYPGRVWCX-OAHLLOKOSA-N 0 2 312.417 1.205 20 30 DDEDLN C#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001000865449 762280462 /nfs/dbraw/zinc/28/04/62/762280462.db2.gz BLSCNMYPGRVWCX-OAHLLOKOSA-N 0 2 312.417 1.205 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccc(C#N)cn1 ZINC001113934990 766425978 /nfs/dbraw/zinc/42/59/78/766425978.db2.gz SOEGZTLJUCNWHY-GZMMTYOYSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1ccc(C#N)cn1 ZINC001113934990 766425982 /nfs/dbraw/zinc/42/59/82/766425982.db2.gz SOEGZTLJUCNWHY-GZMMTYOYSA-N 0 2 318.274 1.795 20 30 DDEDLN C=CCCC(=O)N1CCC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001070538007 768560644 /nfs/dbraw/zinc/56/06/44/768560644.db2.gz XDLOPXDTIZWACM-MWLCHTKSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)N1CCC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001070538007 768560647 /nfs/dbraw/zinc/56/06/47/768560647.db2.gz XDLOPXDTIZWACM-MWLCHTKSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1n[nH]c(C)c1[O-] ZINC001049421396 770808436 /nfs/dbraw/zinc/80/84/36/770808436.db2.gz COEAVXXHHPHLNJ-VXGBXAGGSA-N 0 2 324.812 1.855 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1n[nH]c(C)c1[O-] ZINC001049421396 770808446 /nfs/dbraw/zinc/80/84/46/770808446.db2.gz COEAVXXHHPHLNJ-VXGBXAGGSA-N 0 2 324.812 1.855 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)nc1 ZINC001100747936 776496661 /nfs/dbraw/zinc/49/66/61/776496661.db2.gz JONWVAWPGWJLCQ-NSHDSACASA-N 0 2 318.274 1.796 20 30 DDEDLN CCN(CCNC(=O)[C@H](F)C(F)(F)F)c1ccc(C#N)nc1 ZINC001100747936 776496665 /nfs/dbraw/zinc/49/66/65/776496665.db2.gz JONWVAWPGWJLCQ-NSHDSACASA-N 0 2 318.274 1.796 20 30 DDEDLN N#Cc1cccnc1NCCCNC(=O)C(F)C(F)(F)F ZINC001094846131 776499475 /nfs/dbraw/zinc/49/94/75/776499475.db2.gz MPPDJKOTMZJXEQ-VIFPVBQESA-N 0 2 304.247 1.772 20 30 DDEDLN N#Cc1cccnc1NCCCNC(=O)[C@H](F)C(F)(F)F ZINC001094846131 776499479 /nfs/dbraw/zinc/49/94/79/776499479.db2.gz MPPDJKOTMZJXEQ-VIFPVBQESA-N 0 2 304.247 1.772 20 30 DDEDLN CN(CCNc1ccc(C#N)cn1)C(=O)C(F)C(F)(F)F ZINC001102003466 777784877 /nfs/dbraw/zinc/78/48/77/777784877.db2.gz ZIDTXTUELMDINW-JTQLQIEISA-N 0 2 304.247 1.724 20 30 DDEDLN CN(CCNc1ccc(C#N)cn1)C(=O)[C@H](F)C(F)(F)F ZINC001102003466 777784894 /nfs/dbraw/zinc/78/48/94/777784894.db2.gz ZIDTXTUELMDINW-JTQLQIEISA-N 0 2 304.247 1.724 20 30 DDEDLN COC(=O)[C@]1(C)COCCN1C(=O)[C@@H](C#N)Cc1cccs1 ZINC001177912022 778781176 /nfs/dbraw/zinc/78/11/76/778781176.db2.gz KVLHDZWUGQOMLP-ABAIWWIYSA-N 0 2 322.386 1.221 20 30 DDEDLN CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@H](C#N)Cc1cccs1 ZINC001177915209 778782293 /nfs/dbraw/zinc/78/22/93/778782293.db2.gz KXFFMVPWBSQBTN-JQWIXIFHSA-N 0 2 324.402 1.249 20 30 DDEDLN C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C)c1[O-] ZINC001266481036 836327481 /nfs/dbraw/zinc/32/74/81/836327481.db2.gz FPSNCOLPBJGMJP-BETUJISGSA-N 0 2 304.394 1.679 20 30 DDEDLN C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C)c1[O-] ZINC001266481036 836327493 /nfs/dbraw/zinc/32/74/93/836327493.db2.gz FPSNCOLPBJGMJP-BETUJISGSA-N 0 2 304.394 1.679 20 30 DDEDLN Cc1cc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)n(CCC#N)n1 ZINC001411662583 853539472 /nfs/dbraw/zinc/53/94/72/853539472.db2.gz KBXPEQJVXNOBDE-UHFFFAOYSA-N 0 2 310.317 1.638 20 30 DDEDLN Cn1c(=O)[nH]c(N2CCc3cc(Cl)ccc32)c(C#N)c1=O ZINC001412914695 855780504 /nfs/dbraw/zinc/78/05/04/855780504.db2.gz YKXWRTLRDMQKNY-UHFFFAOYSA-N 0 2 302.721 1.293 20 30 DDEDLN CCN(CC#N)CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001328575655 863079513 /nfs/dbraw/zinc/07/95/13/863079513.db2.gz XVDRLCZBGOQXQH-LLVKDONJSA-N 0 2 309.307 1.971 20 30 DDEDLN CCN(CC#N)CC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001328575655 863079528 /nfs/dbraw/zinc/07/95/28/863079528.db2.gz XVDRLCZBGOQXQH-LLVKDONJSA-N 0 2 309.307 1.971 20 30 DDEDLN N#Cc1ccnnc1NC(=O)c1cc(=O)c2cccc(O)c2[nH]1 ZINC001152671734 863485849 /nfs/dbraw/zinc/48/58/49/863485849.db2.gz TUDHEUDMPDQMND-UHFFFAOYSA-N 0 2 307.269 1.560 20 30 DDEDLN N#Cc1c(F)ccnc1N1CCC(NC(=O)C(F)(F)F)CC1 ZINC001166894406 870348465 /nfs/dbraw/zinc/34/84/65/870348465.db2.gz QVHZBIPRILFHTQ-UHFFFAOYSA-N 0 2 316.258 1.740 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCO[C@@H](C)C1 ZINC001339868801 870748436 /nfs/dbraw/zinc/74/84/36/870748436.db2.gz YUOKEHVPQMEKSZ-QMMMGPOBSA-N 0 2 309.761 1.128 20 30 DDEDLN Cc1csc(CCCCNc2[nH]c(=O)n(C)c(=O)c2C#N)n1 ZINC001306957013 871385954 /nfs/dbraw/zinc/38/59/54/871385954.db2.gz QBYPNVDXUYKBLB-UHFFFAOYSA-N 0 2 319.390 1.145 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001207165352 873095584 /nfs/dbraw/zinc/09/55/84/873095584.db2.gz KNIMVSFIRWILJJ-GHMZBOCLSA-N 0 2 307.398 1.049 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001207165352 873095598 /nfs/dbraw/zinc/09/55/98/873095598.db2.gz KNIMVSFIRWILJJ-GHMZBOCLSA-N 0 2 307.398 1.049 20 30 DDEDLN CCn1ccnc1[C@@H](C#N)C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001349703033 875314899 /nfs/dbraw/zinc/31/48/99/875314899.db2.gz UWTKQNQLEQTRNO-SUMWQHHRSA-N 0 2 314.389 1.776 20 30 DDEDLN Cc1cc(NC(=NO)c2nonc2N)ccc1N1CCOCC1 ZINC001210970241 875614828 /nfs/dbraw/zinc/61/48/28/875614828.db2.gz WNUXHEFKESTDFF-UHFFFAOYSA-N 0 2 318.337 1.045 20 30 DDEDLN C[C@H](C#N)C(=O)NC1(CNC(=O)c2[nH]ncc2F)CCCCC1 ZINC001381058807 880933837 /nfs/dbraw/zinc/93/38/37/880933837.db2.gz ALQPPAVREUYWKM-SNVBAGLBSA-N 0 2 321.356 1.257 20 30 DDEDLN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](Oc2nc(O)cc(=O)[nH]2)C1 ZINC001228391360 883479745 /nfs/dbraw/zinc/47/97/45/883479745.db2.gz VHVHMBLOGLNSFF-IUCAKERBSA-N 0 2 322.321 1.026 20 30 DDEDLN C#CC[C@@H](CC)Oc1nc(I)cc(=O)[nH]1 ZINC001228951047 883743928 /nfs/dbraw/zinc/74/39/28/883743928.db2.gz STMRSKNOCUGKCE-SSDOTTSWSA-N 0 2 318.114 1.968 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001383884348 886689005 /nfs/dbraw/zinc/68/90/05/886689005.db2.gz GYJXXLYJAGKBGQ-IUCAKERBSA-N 0 2 323.290 1.449 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1(CCNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001383884348 886689011 /nfs/dbraw/zinc/68/90/11/886689011.db2.gz GYJXXLYJAGKBGQ-IUCAKERBSA-N 0 2 323.290 1.449 20 30 DDEDLN C[C@H]1CC[C@@](C)(CNc2[nH]c(=O)n(C)c(=O)c2C#N)C1(C)C ZINC001365230165 890398287 /nfs/dbraw/zinc/39/82/87/890398287.db2.gz RYFHCKNBSLYHHQ-QFYYESIMSA-N 0 2 304.394 1.820 20 30 DDEDLN CCOC(=O)C(C#N)NS(=O)(=O)c1ccc(Cl)s1 ZINC001256542417 897469399 /nfs/dbraw/zinc/46/93/99/897469399.db2.gz VKJDUVKVDWYVBB-ZCFIWIBFSA-N 0 2 308.768 1.135 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccc(Cl)s1 ZINC001256542417 897469411 /nfs/dbraw/zinc/46/94/11/897469411.db2.gz VKJDUVKVDWYVBB-ZCFIWIBFSA-N 0 2 308.768 1.135 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2F)ccn1 ZINC001259452767 898678123 /nfs/dbraw/zinc/67/81/23/898678123.db2.gz DAZQASWOGFYJNX-UHFFFAOYSA-N 0 2 311.725 1.968 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2cnc3ccccc3c2)CCC1=O ZINC001260008610 899008888 /nfs/dbraw/zinc/00/88/88/899008888.db2.gz XCJHQIJXOUTYBP-LBPRGKRZSA-N 0 2 315.354 1.338 20 30 DDEDLN CC(C)(O)C#Cc1cccc(NS(=O)(=O)c2cn[nH]c2)c1 ZINC001260961683 899302490 /nfs/dbraw/zinc/30/24/90/899302490.db2.gz MOIUYPICKQIGLR-UHFFFAOYSA-N 0 2 305.359 1.333 20 30 DDEDLN CCOC(=O)c1ccc(C(=O)[C@@H](C#N)c2nccn2C)nc1C ZINC001263333276 900578244 /nfs/dbraw/zinc/57/82/44/900578244.db2.gz JLPMRFNZEBSNQB-GFCCVEGCSA-N 0 2 312.329 1.790 20 30 DDEDLN C=CCOCCCC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000079427858 185171267 /nfs/dbraw/zinc/17/12/67/185171267.db2.gz FROFDKRSYKCAKS-UHFFFAOYSA-N 0 2 321.402 1.926 20 30 DDEDLN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC1N=NC(=O)O1 ZINC000588849679 354943044 /nfs/dbraw/zinc/94/30/44/354943044.db2.gz ZYXHIVAXFRVKOT-SECBINFHSA-N 0 2 302.290 1.073 20 30 DDEDLN Cn1cc(-c2cncc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)c2)cn1 ZINC000609420267 360306665 /nfs/dbraw/zinc/30/66/65/360306665.db2.gz AEMUKAPJLBFOIB-UHFFFAOYSA-N 0 2 318.300 1.201 20 30 DDEDLN CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000610726855 360519116 /nfs/dbraw/zinc/51/91/16/360519116.db2.gz RUQPSCUREWYOSX-QWHCGFSZSA-N 0 2 304.394 1.990 20 30 DDEDLN C[C@@]1(C#N)CCCN(C(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000612370895 360987878 /nfs/dbraw/zinc/98/78/78/360987878.db2.gz XMXRKUSXNNABSN-HNNXBMFYSA-N 0 2 313.317 1.202 20 30 DDEDLN Cn1ncc(C#N)c1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000120256464 195129533 /nfs/dbraw/zinc/12/95/33/195129533.db2.gz KMJXHPCGOVDBOT-UHFFFAOYSA-N 0 2 321.749 1.618 20 30 DDEDLN COCCN(CCC#N)C(=O)c1cc(F)c(F)c(O)c1F ZINC000071229956 406834840 /nfs/dbraw/zinc/83/48/40/406834840.db2.gz HFDXWCYYJWLKRD-UHFFFAOYSA-N 0 2 302.252 1.812 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc3c(c2)CCC(=O)N3)[nH]c1C#N ZINC000026269842 406903728 /nfs/dbraw/zinc/90/37/28/406903728.db2.gz UDARCJVKYVNQGC-UHFFFAOYSA-N 0 2 306.285 1.290 20 30 DDEDLN C=CCNC(=O)[C@H](C)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000131508817 407739473 /nfs/dbraw/zinc/73/94/73/407739473.db2.gz DLMLXXCEWRQNTB-VIFPVBQESA-N 0 2 306.391 1.107 20 30 DDEDLN C=CCN(CC(F)(F)F)C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000179461509 407791133 /nfs/dbraw/zinc/79/11/33/407791133.db2.gz YAVBDYAYUWAWOQ-UHFFFAOYSA-N 0 2 314.267 1.864 20 30 DDEDLN Cn1cc(NS(=O)(=O)c2ccccc2C#N)c(C2CC2)n1 ZINC000290879744 408848532 /nfs/dbraw/zinc/84/85/32/408848532.db2.gz BSWCOTRWMBYRSR-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN COC(=O)c1ccc(NS(=O)(=O)c2cncc(C#N)c2)cc1 ZINC000320339338 164041553 /nfs/dbraw/zinc/04/15/53/164041553.db2.gz JHNBCHGUGBGEEM-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2ccn(C)c2)cc1C#N ZINC000357312965 409970888 /nfs/dbraw/zinc/97/08/88/409970888.db2.gz HGVAOMTTYKTLKQ-UHFFFAOYSA-N 0 2 302.359 1.649 20 30 DDEDLN COC(=O)CCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000339693495 410391108 /nfs/dbraw/zinc/39/11/08/410391108.db2.gz OXDORRYTYYXNLO-UHFFFAOYSA-N 0 2 309.347 1.064 20 30 DDEDLN N#Cc1ccnc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)c1 ZINC000356014774 410775845 /nfs/dbraw/zinc/77/58/45/410775845.db2.gz OWKOCCCJBIKOGH-UHFFFAOYSA-N 0 2 306.285 1.696 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[C@@H](O)C2)cc1C#N ZINC000331062835 410927699 /nfs/dbraw/zinc/92/76/99/410927699.db2.gz OBJVTOSZFKMHQD-WCBMZHEXSA-N 0 2 307.375 1.272 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1c[nH]nc1-c1ccccn1 ZINC000356495958 411057079 /nfs/dbraw/zinc/05/70/79/411057079.db2.gz DJGLENUXWBWQMW-UHFFFAOYSA-N 0 2 319.328 2.196 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1c(F)ccc(O)c1F ZINC000356498953 411058811 /nfs/dbraw/zinc/05/88/11/411058811.db2.gz TXQJTIRXNLQRMS-UHFFFAOYSA-N 0 2 304.256 2.395 20 30 DDEDLN CC#CCCNC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000361647719 418696031 /nfs/dbraw/zinc/69/60/31/418696031.db2.gz KQNLCTRKAROCCL-UHFFFAOYSA-N 0 2 304.375 1.952 20 30 DDEDLN C=CCN1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2O)C1=O ZINC000281583408 222559255 /nfs/dbraw/zinc/55/92/55/222559255.db2.gz BRHQROJBZZTGQU-LBPRGKRZSA-N 0 2 319.317 1.159 20 30 DDEDLN CN(C)c1cccc(S(=O)(=O)Nc2ccc(C#N)cn2)c1 ZINC000492954138 420719849 /nfs/dbraw/zinc/71/98/49/420719849.db2.gz AKSVAVBGYGXXCO-UHFFFAOYSA-N 0 2 302.359 1.820 20 30 DDEDLN N#Cc1ccc(C=CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000493285650 420807665 /nfs/dbraw/zinc/80/76/65/420807665.db2.gz AENUPNBYPUGYLJ-HSBSLETESA-N 0 2 323.356 1.801 20 30 DDEDLN CCC[C@@](C)(O)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000359139030 266071794 /nfs/dbraw/zinc/07/17/94/266071794.db2.gz JHKJUWGVSXNRLT-CQSZACIVSA-N 0 2 309.391 1.662 20 30 DDEDLN CCn1nc(C)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000530158145 267260936 /nfs/dbraw/zinc/26/09/36/267260936.db2.gz MBXRIHCYTBMQFU-UHFFFAOYSA-N 0 2 305.363 1.587 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)o1 ZINC000342464140 268209437 /nfs/dbraw/zinc/20/94/37/268209437.db2.gz HWMNFUOUYNKYSJ-UHFFFAOYSA-N 0 2 324.265 1.822 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2C[C@H](C)O)cc1C#N ZINC000344650962 272079780 /nfs/dbraw/zinc/07/97/80/272079780.db2.gz BKCJUWUYEKAEFB-GXSJLCMTSA-N 0 2 321.402 1.756 20 30 DDEDLN CCO[C@@H](C)c1nc(Cn2c(=O)[nH]cc(C#N)c2=O)cs1 ZINC000577492479 308392231 /nfs/dbraw/zinc/39/22/31/308392231.db2.gz PYEISZJYFHINSH-QMMMGPOBSA-N 0 2 306.347 1.011 20 30 DDEDLN C=C[C@@H](C)NS(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F ZINC000451304124 527414702 /nfs/dbraw/zinc/41/47/02/527414702.db2.gz HVUKNJPCNLCWOF-SFYZADRCSA-N 0 2 303.302 1.364 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000416958906 529270998 /nfs/dbraw/zinc/27/09/98/529270998.db2.gz PKHDSHABKAUKQU-NEPJUHHUSA-N 0 2 310.375 1.898 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CSc1ccncc1 ZINC000122722712 696724792 /nfs/dbraw/zinc/72/47/92/696724792.db2.gz LPULBDXXFCTDCK-NSHDSACASA-N 0 2 300.343 1.499 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CSC[C@@H]1CCCCO1 ZINC000123019589 696727734 /nfs/dbraw/zinc/72/77/34/696727734.db2.gz WSSQZKMNDCHAEB-RYUDHWBXSA-N 0 2 321.402 1.614 20 30 DDEDLN C[C@H]1CN(C(=O)C(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000788308362 699300933 /nfs/dbraw/zinc/30/09/33/699300933.db2.gz IYPSRMKQXMDRIC-NKWVEPMBSA-N 0 2 310.213 1.982 20 30 DDEDLN C[C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CCN1CC(F)(F)F ZINC000788308362 699300937 /nfs/dbraw/zinc/30/09/37/699300937.db2.gz IYPSRMKQXMDRIC-NKWVEPMBSA-N 0 2 310.213 1.982 20 30 DDEDLN N#CCOC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000733011636 699577084 /nfs/dbraw/zinc/57/70/84/699577084.db2.gz JGJOGXPBNPXNNB-UHFFFAOYSA-N 0 2 307.103 1.971 20 30 DDEDLN N#CC(C(=O)CN1CCSC1=O)c1cnc2ccccc2n1 ZINC000792107284 699675748 /nfs/dbraw/zinc/67/57/48/699675748.db2.gz ALBFWRQPRWBKEF-JTQLQIEISA-N 0 2 312.354 1.975 20 30 DDEDLN CCOC(=O)C(C)(C)CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000805898926 701415707 /nfs/dbraw/zinc/41/57/07/701415707.db2.gz YHWWPDUAUXTLFA-SNVBAGLBSA-N 0 2 305.334 1.291 20 30 DDEDLN Cc1cccc2[nH]c([C@H](C#N)C(=O)COCc3nncn3C)nc21 ZINC000815955146 701975153 /nfs/dbraw/zinc/97/51/53/701975153.db2.gz SPIVOGJRKWMTEA-LLVKDONJSA-N 0 2 324.344 1.393 20 30 DDEDLN Cc1cccc2nc([C@H](C#N)C(=O)COCc3nncn3C)[nH]c21 ZINC000815955146 701975155 /nfs/dbraw/zinc/97/51/55/701975155.db2.gz SPIVOGJRKWMTEA-LLVKDONJSA-N 0 2 324.344 1.393 20 30 DDEDLN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1SC(=N)NC1=O ZINC000840538064 702146745 /nfs/dbraw/zinc/14/67/45/702146745.db2.gz MQVKXLOLFHHTOG-OLZOCXBDSA-N 0 2 317.414 1.846 20 30 DDEDLN C=CCCO[N-]C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000856036279 704510636 /nfs/dbraw/zinc/51/06/36/704510636.db2.gz YNZMJOPNVONPIL-ZDUSSCGKSA-N 0 2 308.382 1.107 20 30 DDEDLN C=CCCO[N-]C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000856036279 704510637 /nfs/dbraw/zinc/51/06/37/704510637.db2.gz YNZMJOPNVONPIL-ZDUSSCGKSA-N 0 2 308.382 1.107 20 30 DDEDLN Cc1ccccc1COCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000857013299 704547050 /nfs/dbraw/zinc/54/70/50/704547050.db2.gz MMWIAZNCLISMTF-AWEZNQCLSA-N 0 2 311.341 1.837 20 30 DDEDLN COCCCNC(=O)C(C#N)=C([O-])c1cn2cc(C)ccc2[nH+]1 ZINC000860462641 705195817 /nfs/dbraw/zinc/19/58/17/705195817.db2.gz XJEJPRIYEBQPRI-LBPRGKRZSA-N 0 2 314.345 1.118 20 30 DDEDLN C#C[C@H](C)N(C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000861341042 705434160 /nfs/dbraw/zinc/43/41/60/705434160.db2.gz MOGSKZGAVAZQBL-QMMMGPOBSA-N 0 2 302.252 1.552 20 30 DDEDLN C[C@H](c1cccc(C#N)c1)n1cc(CNC(=O)C(F)(F)F)nn1 ZINC000881341099 707203944 /nfs/dbraw/zinc/20/39/44/707203944.db2.gz ZKWDJNAQFZXQCQ-SECBINFHSA-N 0 2 323.278 1.938 20 30 DDEDLN C#CCCCS(=O)(=O)Nc1nc(C(=O)OCC)c(C)s1 ZINC000872007131 707278814 /nfs/dbraw/zinc/27/88/14/707278814.db2.gz BKHMSTLBTSSZLZ-UHFFFAOYSA-N 0 2 316.404 1.783 20 30 DDEDLN C=CC[N@@H+](Cc1ccc(C)c(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000872157584 707309747 /nfs/dbraw/zinc/30/97/47/707309747.db2.gz SUGJFHNALLENLQ-AWEZNQCLSA-N 0 2 323.414 1.868 20 30 DDEDLN C=CC[N@H+](Cc1ccc(C)c(C(=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000872157584 707309751 /nfs/dbraw/zinc/30/97/51/707309751.db2.gz SUGJFHNALLENLQ-AWEZNQCLSA-N 0 2 323.414 1.868 20 30 DDEDLN N#C[C@@H](C(=O)c1ccc(CN2CCOCC2)o1)c1ccccn1 ZINC000892481997 710444443 /nfs/dbraw/zinc/44/44/43/710444443.db2.gz AFXIRHXIKWSRDZ-CQSZACIVSA-N 0 2 311.341 1.997 20 30 DDEDLN C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1SC(=N)NC1=O ZINC000908645910 712828305 /nfs/dbraw/zinc/82/83/05/712828305.db2.gz FKCPCYASFZKPJG-ONGXEEELSA-N 0 2 309.391 1.069 20 30 DDEDLN C=C(Cl)C[C@@H](NC(=O)NCCCCn1cc[nH+]c1)C(=O)[O-] ZINC000908861552 712872359 /nfs/dbraw/zinc/87/23/59/712872359.db2.gz FPRCJGCYJHPKPO-LLVKDONJSA-N 0 2 314.773 1.558 20 30 DDEDLN N#Cc1c(N)n[nH]c1CCCN=Cc1cc([N+](=O)[O-])ccc1O ZINC000920942159 713704216 /nfs/dbraw/zinc/70/42/16/713704216.db2.gz OPHXWCXCTCCWGP-IUXPMGMMSA-N 0 2 314.305 1.529 20 30 DDEDLN C[C@H](CNc1ccncc1C#N)N(C)C(=O)C(F)C(F)(F)F ZINC001104847135 737276979 /nfs/dbraw/zinc/27/69/79/737276979.db2.gz DHSORKBKGSFKON-KCJUWKMLSA-N 0 2 318.274 1.534 20 30 DDEDLN C[C@H](CNc1ccncc1C#N)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001104847135 737276987 /nfs/dbraw/zinc/27/69/87/737276987.db2.gz DHSORKBKGSFKON-KCJUWKMLSA-N 0 2 318.274 1.534 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2nnc(C(C)C)o2)c1 ZINC001193636491 746156996 /nfs/dbraw/zinc/15/69/96/746156996.db2.gz SNAJFPVRDJZRAM-UHFFFAOYSA-N 0 2 322.346 1.874 20 30 DDEDLN COC(=O)c1scnc1NC(=O)c1cccc(C#N)c1O ZINC001193642163 746158807 /nfs/dbraw/zinc/15/88/07/746158807.db2.gz CGAGBGDYOZTMPH-UHFFFAOYSA-N 0 2 303.299 1.759 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)[nH]n1 ZINC001194279453 746315839 /nfs/dbraw/zinc/31/58/39/746315839.db2.gz VECHRDWUUXYCTP-UHFFFAOYSA-N 0 2 315.333 1.877 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2cc(C#N)cn2C(C)(C)C)n[nH]1 ZINC001194279453 746315845 /nfs/dbraw/zinc/31/58/45/746315845.db2.gz VECHRDWUUXYCTP-UHFFFAOYSA-N 0 2 315.333 1.877 20 30 DDEDLN C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H]1C ZINC000994214463 746489760 /nfs/dbraw/zinc/48/97/60/746489760.db2.gz UBJOULWAVAEVFV-WDEREUQCSA-N 0 2 314.345 1.144 20 30 DDEDLN C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H]1C ZINC000994214463 746489763 /nfs/dbraw/zinc/48/97/63/746489763.db2.gz UBJOULWAVAEVFV-WDEREUQCSA-N 0 2 314.345 1.144 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cc(F)c(C#N)cc2C)n1C ZINC001198403550 747481148 /nfs/dbraw/zinc/48/11/48/747481148.db2.gz HEEGSGLJYFUVJG-UHFFFAOYSA-N 0 2 308.338 1.849 20 30 DDEDLN N#CCN1CCC2(CCN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001040707985 762656581 /nfs/dbraw/zinc/65/65/81/762656581.db2.gz NMUWKZYFMKMEED-JTQLQIEISA-N 0 2 307.291 1.725 20 30 DDEDLN N#CCN1CCC2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001040707985 762656583 /nfs/dbraw/zinc/65/65/83/762656583.db2.gz NMUWKZYFMKMEED-JTQLQIEISA-N 0 2 307.291 1.725 20 30 DDEDLN C=C1CCC(C(=O)N(C)C[C@H]2CCN2Cc2n[nH]c(=O)[nH]2)CC1 ZINC001085800712 760270875 /nfs/dbraw/zinc/27/08/75/760270875.db2.gz APBVZPYJXKXLPB-CYBMUJFWSA-N 0 2 319.409 1.289 20 30 DDEDLN C[C@H](CN(C)c1ncccc1C#N)NC(=O)C(F)C(F)(F)F ZINC001109274416 763537170 /nfs/dbraw/zinc/53/71/70/763537170.db2.gz DZEAFGWLSUGDIU-PSASIEDQSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CN(C)c1ncccc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001109274416 763537172 /nfs/dbraw/zinc/53/71/72/763537172.db2.gz DZEAFGWLSUGDIU-PSASIEDQSA-N 0 2 318.274 1.795 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132060888 768595855 /nfs/dbraw/zinc/59/58/55/768595855.db2.gz MSWTVFNWNULCBD-RYUDHWBXSA-N 0 2 321.425 1.582 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132060888 768595860 /nfs/dbraw/zinc/59/58/60/768595860.db2.gz MSWTVFNWNULCBD-RYUDHWBXSA-N 0 2 321.425 1.582 20 30 DDEDLN N#Cc1cccnc1N1CC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001096490356 770458457 /nfs/dbraw/zinc/45/84/57/770458457.db2.gz APVWFKADKOOMCB-UWVGGRQHSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1cccnc1N1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001096490356 770458452 /nfs/dbraw/zinc/45/84/52/770458452.db2.gz APVWFKADKOOMCB-UWVGGRQHSA-N 0 2 316.258 1.549 20 30 DDEDLN COC(=O)[C@H](CCC(=O)[O-])[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171181756 772522951 /nfs/dbraw/zinc/52/29/51/772522951.db2.gz PFKBCKBSCYAMGJ-FZMZJTMJSA-N 0 2 304.346 1.485 20 30 DDEDLN CC[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001103341172 778801427 /nfs/dbraw/zinc/80/14/27/778801427.db2.gz VWDSDDGDUJLKCI-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001103341172 778801431 /nfs/dbraw/zinc/80/14/31/778801431.db2.gz VWDSDDGDUJLKCI-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN C=C[C@H](O)C(=O)N(CCC)Cc1nc(=O)c2sccc2[nH]1 ZINC001118552562 781157235 /nfs/dbraw/zinc/15/72/35/781157235.db2.gz SAPRCAADSUNVNB-JTQLQIEISA-N 0 2 307.375 1.682 20 30 DDEDLN CCC(=O)Nc1ccc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)cc1 ZINC001412873934 855745666 /nfs/dbraw/zinc/74/56/66/855745666.db2.gz LYZOUTJAXRAIAK-UHFFFAOYSA-N 0 2 313.317 1.037 20 30 DDEDLN C#CC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)C(=O)[O-] ZINC001334998634 867983892 /nfs/dbraw/zinc/98/38/92/867983892.db2.gz TWDYDBCSMMCULL-GJZGRUSLSA-N 0 2 315.373 1.029 20 30 DDEDLN C#CC[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)C(=O)[O-] ZINC001334998634 867983897 /nfs/dbraw/zinc/98/38/97/867983897.db2.gz TWDYDBCSMMCULL-GJZGRUSLSA-N 0 2 315.373 1.029 20 30 DDEDLN Cc1cc(=O)[nH]c(O[C@H](C[N+](=O)[O-])c2cccnc2)c1C#N ZINC001226221549 882288475 /nfs/dbraw/zinc/28/84/75/882288475.db2.gz MJGHDDXNHPZIGV-GFCCVEGCSA-N 0 2 300.274 1.759 20 30 DDEDLN N#Cc1cccc(ONC(=O)[C@@H]2C[C@@]23C(=O)Nc2ccccc23)c1 ZINC001302374389 871065276 /nfs/dbraw/zinc/06/52/76/871065276.db2.gz XBUITWPIOMEGCN-KSSFIOAISA-N 0 2 319.320 1.878 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N(C)CCCOC ZINC001340594771 871217918 /nfs/dbraw/zinc/21/79/18/871217918.db2.gz TTXSZERJNOWMRE-UHFFFAOYSA-N 0 2 311.777 1.375 20 30 DDEDLN N#CC(C(=O)c1cn(C2CCOCC2)nn1)c1cccc(F)n1 ZINC001343367313 872597164 /nfs/dbraw/zinc/59/71/64/872597164.db2.gz IFPUYAYLBFBAIH-LLVKDONJSA-N 0 2 315.308 1.654 20 30 DDEDLN N#C[C@@H](C(=O)c1cn(C2CCOCC2)nn1)c1cccc(F)n1 ZINC001343367313 872597175 /nfs/dbraw/zinc/59/71/75/872597175.db2.gz IFPUYAYLBFBAIH-LLVKDONJSA-N 0 2 315.308 1.654 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CC12CCSCC2 ZINC001343619899 872689306 /nfs/dbraw/zinc/68/93/06/872689306.db2.gz XWSDLATZITXVRR-GHMZBOCLSA-N 0 2 303.387 1.845 20 30 DDEDLN CC(C)C#CC(=O)NC[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001356993527 879666496 /nfs/dbraw/zinc/66/64/96/879666496.db2.gz QWPJWLLFWFWYPM-ZYHUDNBSSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)NC[C@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001356993527 879666505 /nfs/dbraw/zinc/66/65/05/879666505.db2.gz QWPJWLLFWFWYPM-ZYHUDNBSSA-N 0 2 322.302 1.653 20 30 DDEDLN CC[C@@H](C#CC(=O)OC)O/C(=N\O)c1cc(OC)ccc1OC ZINC001223891155 881134435 /nfs/dbraw/zinc/13/44/35/881134435.db2.gz FFFGMLWPQSTRQZ-WHBPPDGWSA-N 0 2 321.329 1.811 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC001363463270 886409002 /nfs/dbraw/zinc/40/90/02/886409002.db2.gz ZSCVFIIUDPMTPJ-NSHDSACASA-N 0 2 313.317 1.794 20 30 DDEDLN Cn1c(=O)[nH]c(NCc2ccc(C(F)(F)F)cc2)c(C#N)c1=O ZINC001363738621 887108706 /nfs/dbraw/zinc/10/87/06/887108706.db2.gz OKHHWYLFYAVPIB-UHFFFAOYSA-N 0 2 324.262 1.576 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccccc1Cl ZINC001256353277 897402333 /nfs/dbraw/zinc/40/23/33/897402333.db2.gz RQMRUSILTAFUTH-SECBINFHSA-N 0 2 302.739 1.074 20 30 DDEDLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccnc(C#N)c1 ZINC001258931992 898366681 /nfs/dbraw/zinc/36/66/81/898366681.db2.gz ZGOBSISRGHYGCQ-UHFFFAOYSA-N 0 2 323.761 1.838 20 30 DDEDLN CC(C)C#CC(=O)N(CCNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001296587193 916495453 /nfs/dbraw/zinc/49/54/53/916495453.db2.gz NLGSEZVDRWNLFG-GFCCVEGCSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)N(CCNC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001296587193 916495461 /nfs/dbraw/zinc/49/54/61/916495461.db2.gz NLGSEZVDRWNLFG-GFCCVEGCSA-N 0 2 322.302 1.653 20 30 DDEDLN CC/N=C1/NC(=O)[C@@H](CC(=O)NCCc2ccccc2F)S1 ZINC000298831804 222853963 /nfs/dbraw/zinc/85/39/63/222853963.db2.gz XMYLIXOJHZFLHF-GFCCVEGCSA-N 0 2 323.393 1.482 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2cccn2C)cc1C#N ZINC000075547143 353367556 /nfs/dbraw/zinc/36/75/56/353367556.db2.gz RDJRHFYBQDLMHH-UHFFFAOYSA-N 0 2 302.359 1.649 20 30 DDEDLN C=CCCC[C@@H](C)NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000179790603 354263809 /nfs/dbraw/zinc/26/38/09/354263809.db2.gz HGBYWWYNPNYAMZ-SNVBAGLBSA-N 0 2 316.361 1.807 20 30 DDEDLN C[C@@]1(C#N)CCCN(C(=O)c2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000597498550 357197621 /nfs/dbraw/zinc/19/76/21/357197621.db2.gz JQIWIIXTBKRGMG-INIZCTEOSA-N 0 2 312.329 1.796 20 30 DDEDLN CO[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000600800384 358317457 /nfs/dbraw/zinc/31/74/57/358317457.db2.gz KKPROBDXXCLALM-WAAGHKOSSA-N 0 2 307.375 1.536 20 30 DDEDLN C[C@]1(C#N)CCCN(C(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000612370902 360987951 /nfs/dbraw/zinc/98/79/51/360987951.db2.gz XMXRKUSXNNABSN-OAHLLOKOSA-N 0 2 313.317 1.202 20 30 DDEDLN C=C(C)CNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000275405223 212312821 /nfs/dbraw/zinc/31/28/21/212312821.db2.gz RUZVATXKCNMKAL-UHFFFAOYSA-N 0 2 301.350 1.759 20 30 DDEDLN CCc1oc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1C(=O)OC ZINC000338770441 250130787 /nfs/dbraw/zinc/13/07/87/250130787.db2.gz JGTGIDNJSWZMJA-UHFFFAOYSA-N 0 2 313.273 1.347 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)C[C@H](OC)C1CC1 ZINC000569122966 304337950 /nfs/dbraw/zinc/33/79/50/304337950.db2.gz QNUDLPFZPYDPSJ-AWEZNQCLSA-N 0 2 310.375 1.734 20 30 DDEDLN Cc1ccc2c(n1)[nH]cc(C(=O)NC1CCS(=O)CC1)c2=O ZINC000329445275 292304183 /nfs/dbraw/zinc/30/41/83/292304183.db2.gz LRHVNGZFQRRETG-UHFFFAOYSA-N 0 2 319.386 1.860 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2F)[nH]c1C#N ZINC000054761908 407188628 /nfs/dbraw/zinc/18/86/28/407188628.db2.gz AFDUXAYAVFSTCD-UHFFFAOYSA-N 0 2 300.209 1.453 20 30 DDEDLN N#CCN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)C1CC1 ZINC000272488352 407944501 /nfs/dbraw/zinc/94/45/01/407944501.db2.gz RIVYSWFAZLILFV-UHFFFAOYSA-N 0 2 300.293 1.845 20 30 DDEDLN C#CCNC(=O)c1ccccc1NS(=O)(=O)N(C)CCC ZINC000268777987 408188529 /nfs/dbraw/zinc/18/85/29/408188529.db2.gz ONRINSOFJWMDEC-UHFFFAOYSA-N 0 2 309.391 1.048 20 30 DDEDLN COC[C@](C)(C#N)NC(=O)C1=NN(c2ccccc2)CC1=O ZINC000269643614 408372449 /nfs/dbraw/zinc/37/24/49/408372449.db2.gz YMLWKQFKDGOPDT-HNNXBMFYSA-N 0 2 300.318 1.236 20 30 DDEDLN C#CCN(CC)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000274691774 408498665 /nfs/dbraw/zinc/49/86/65/408498665.db2.gz VFCZQWJDAZCREW-UHFFFAOYSA-N 0 2 313.361 1.548 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)s1 ZINC000230348204 163347692 /nfs/dbraw/zinc/34/76/92/163347692.db2.gz ZTSAXHQDBMGRQQ-UHFFFAOYSA-N 0 2 307.356 1.519 20 30 DDEDLN Cc1occc1-c1nnc(NS(=O)(=O)c2ccc(C#N)o2)o1 ZINC000342571645 409731438 /nfs/dbraw/zinc/73/14/38/409731438.db2.gz SXWHEMOXUHMQLS-UHFFFAOYSA-N 0 2 320.286 1.904 20 30 DDEDLN COc1c2cnn(C)c2ncc1C(=O)[C@@H](C#N)c1ccncn1 ZINC000354466007 409877428 /nfs/dbraw/zinc/87/74/28/409877428.db2.gz JTBQQMIWPFAIGF-VIFPVBQESA-N 0 2 308.301 1.257 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H](O)C2(C)C)cc1C#N ZINC000332415846 410140370 /nfs/dbraw/zinc/14/03/70/410140370.db2.gz BTTMWSHKANULEP-ZJUUUORDSA-N 0 2 307.375 1.270 20 30 DDEDLN COc1cnc(NS(=O)(=O)c2cccc(Cl)c2C#N)nc1 ZINC000337297129 410698448 /nfs/dbraw/zinc/69/84/48/410698448.db2.gz OQEVJLIAHPFTRY-UHFFFAOYSA-N 0 2 324.749 1.811 20 30 DDEDLN COc1ccc(OC)c(S(=O)(=O)Nc2cc(C#N)ccn2)c1 ZINC000352857423 410681588 /nfs/dbraw/zinc/68/15/88/410681588.db2.gz ILSDUXIUTRMFFM-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN N#CCN(C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C1CCCC1 ZINC000265672864 222355854 /nfs/dbraw/zinc/35/58/54/222355854.db2.gz IDGQOUMNHUIZHH-UHFFFAOYSA-N 0 2 313.317 1.344 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1cnc(C)nc1 ZINC000361654076 266802717 /nfs/dbraw/zinc/80/27/17/266802717.db2.gz GZJGVVRABKNFSL-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2nc3c(s2)COCC3)c1 ZINC000172316177 298245371 /nfs/dbraw/zinc/24/53/71/298245371.db2.gz PRZGCWPJKYOWGV-UHFFFAOYSA-N 0 2 321.383 1.888 20 30 DDEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccn2)c1 ZINC000110121172 333326395 /nfs/dbraw/zinc/32/63/95/333326395.db2.gz WKGCADFPVXRYNF-UHFFFAOYSA-N 0 2 317.370 1.798 20 30 DDEDLN Cc1cc[nH]c2nc(C(C#N)=C([O-])c3c[nH+]c4n3CCC4)nc1-2 ZINC000659107881 484631094 /nfs/dbraw/zinc/63/10/94/484631094.db2.gz CRMKGUYUDRFWJQ-SNVBAGLBSA-N 0 2 306.329 1.899 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N2CCC(C)(C#N)CC2)c1 ZINC000424793942 533807988 /nfs/dbraw/zinc/80/79/88/533807988.db2.gz SXBDQUOWJDZLDQ-QFIPXVFZSA-N 0 2 320.414 1.955 20 30 DDEDLN C=C(C)C(C)(C)C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000424720157 526436279 /nfs/dbraw/zinc/43/62/79/526436279.db2.gz KMQMFKAHDOYVQG-UHFFFAOYSA-N 0 2 304.397 1.450 20 30 DDEDLN C#C[C@H](CCC)NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000491665594 527364173 /nfs/dbraw/zinc/36/41/73/527364173.db2.gz USZQZPBSIJENTF-SECBINFHSA-N 0 2 308.407 1.114 20 30 DDEDLN C[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000820238473 597655806 /nfs/dbraw/zinc/65/58/06/597655806.db2.gz QJYZPBFOCRORMZ-LALPHHSUSA-N 0 2 304.350 1.297 20 30 DDEDLN CC(=O)NCC[N@H+](CC#Cc1cccc(Cl)c1)[C@@H](C)C(=O)[O-] ZINC000819770525 597678691 /nfs/dbraw/zinc/67/86/91/597678691.db2.gz WVXMWFUMHHERSI-LBPRGKRZSA-N 0 2 322.792 1.603 20 30 DDEDLN CC(=O)NCC[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H](C)C(=O)[O-] ZINC000819770525 597678693 /nfs/dbraw/zinc/67/86/93/597678693.db2.gz WVXMWFUMHHERSI-LBPRGKRZSA-N 0 2 322.792 1.603 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000737582330 600567084 /nfs/dbraw/zinc/56/70/84/600567084.db2.gz YZCVQRBGEMJPIA-KGLIPLIRSA-N 0 2 302.330 1.569 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000737582330 600567086 /nfs/dbraw/zinc/56/70/86/600567086.db2.gz YZCVQRBGEMJPIA-KGLIPLIRSA-N 0 2 302.330 1.569 20 30 DDEDLN N#CCCN(C(=O)C[N@H+]1CC[C@H](NC(=O)[O-])C1)c1ccccc1 ZINC000740307799 602439990 /nfs/dbraw/zinc/43/99/90/602439990.db2.gz BEOAXOTYXPHYJC-ZDUSSCGKSA-N 0 2 316.361 1.275 20 30 DDEDLN N#CCCN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])C1)c1ccccc1 ZINC000740307799 602439992 /nfs/dbraw/zinc/43/99/92/602439992.db2.gz BEOAXOTYXPHYJC-ZDUSSCGKSA-N 0 2 316.361 1.275 20 30 DDEDLN C=CCC(CC=C)C(=O)N(C)CC[NH+]1CCN(C(=O)[O-])CC1 ZINC000823491084 604048100 /nfs/dbraw/zinc/04/81/00/604048100.db2.gz QHWIHYFADWBQSE-UHFFFAOYSA-N 0 2 309.410 1.509 20 30 DDEDLN Cc1cc(C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)nn1C(C)(C)C ZINC000123322870 696730530 /nfs/dbraw/zinc/73/05/30/696730530.db2.gz OAAYTADOKMFQKC-NSHDSACASA-N 0 2 313.361 1.885 20 30 DDEDLN CC[C@@]1(C)NC(=O)N(N=Cc2ccc([N+](=O)[O-])c(O)c2)C1=O ZINC000748130746 700101458 /nfs/dbraw/zinc/10/14/58/700101458.db2.gz CVEQYSGSCIRLQX-CYBMUJFWSA-N 0 2 306.278 1.355 20 30 DDEDLN C#CCC[N@H+]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)CC1 ZINC000981482705 697107945 /nfs/dbraw/zinc/10/79/45/697107945.db2.gz AHWGLXDJRBFKOX-OAHLLOKOSA-N 0 2 314.433 1.381 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)cc1 ZINC000777593330 698206182 /nfs/dbraw/zinc/20/61/82/698206182.db2.gz GTENWMNYQYBLAO-UHFFFAOYSA-N 0 2 302.359 1.966 20 30 DDEDLN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C[C@@H]1SC(=N)NC1=O ZINC000787841647 699248377 /nfs/dbraw/zinc/24/83/77/699248377.db2.gz APXVOYXCGHIHLJ-RYUDHWBXSA-N 0 2 314.370 1.218 20 30 DDEDLN C=CCOC[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1O)C(=O)OC ZINC000794849359 699832733 /nfs/dbraw/zinc/83/27/33/699832733.db2.gz WJRYNKPDIKYMEK-PWDRSIHYSA-N 0 2 308.290 1.464 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCc1ccccc1C(N)=O ZINC000796774234 699951961 /nfs/dbraw/zinc/95/19/61/699951961.db2.gz IYPGYXGHAKZTDX-ZDUSSCGKSA-N 0 2 324.340 1.043 20 30 DDEDLN N#Cc1ccc(NCCNC(=O)c2cc(F)c(O)c(F)c2)nc1 ZINC000762574015 700898794 /nfs/dbraw/zinc/89/87/94/700898794.db2.gz IVWJJEZBEXSHTB-UHFFFAOYSA-N 0 2 318.283 1.779 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2C[C@@]23CCOC3)n1 ZINC000764759070 700985348 /nfs/dbraw/zinc/98/53/48/700985348.db2.gz KDFSGVJDPHXPDA-IQMDTDKHSA-N 0 2 320.370 1.923 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H]2C[C@@]23CCOC3)n1 ZINC000764759070 700985349 /nfs/dbraw/zinc/98/53/49/700985349.db2.gz KDFSGVJDPHXPDA-IQMDTDKHSA-N 0 2 320.370 1.923 20 30 DDEDLN C#Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cn1 ZINC000803407313 701111622 /nfs/dbraw/zinc/11/16/22/701111622.db2.gz ZBAQAEORELZOHP-UHFFFAOYSA-N 0 2 305.297 1.806 20 30 DDEDLN CC(C)(C#N)CCCCOC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000768700047 701196985 /nfs/dbraw/zinc/19/69/85/701196985.db2.gz PPNZMCQGCQWXBG-UHFFFAOYSA-N 0 2 317.349 1.334 20 30 DDEDLN N#C[C@@H](C(=O)CCN1C(=O)CCC1=O)c1nc(C2CC2)cs1 ZINC000842937114 702792491 /nfs/dbraw/zinc/79/24/91/702792491.db2.gz BLOVAGATKHNXSG-JTQLQIEISA-N 0 2 317.370 1.736 20 30 DDEDLN CCCCCNC(=O)C(C#N)=C([O-])c1[nH+]cc2n1CCCC2 ZINC000870134367 703923847 /nfs/dbraw/zinc/92/38/47/703923847.db2.gz KPDBRXDRRLFGMZ-ZDUSSCGKSA-N 0 2 302.378 1.848 20 30 DDEDLN C#CCONC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000855603451 704493255 /nfs/dbraw/zinc/49/32/55/704493255.db2.gz OCCOGQJWGAYXNK-UHFFFAOYSA-N 0 2 301.342 1.951 20 30 DDEDLN C#C[C@](C)(CC)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000861857492 705587743 /nfs/dbraw/zinc/58/77/43/705587743.db2.gz BZOYGRXXJULLGD-CYBMUJFWSA-N 0 2 316.279 1.990 20 30 DDEDLN O=C(C[C@@H]1S/C(=N/CCC2CC2)NC1=O)NCC(F)(F)F ZINC000864345189 706143280 /nfs/dbraw/zinc/14/32/80/706143280.db2.gz QLTDSXKPBWKXGN-QMMMGPOBSA-N 0 2 323.340 1.443 20 30 DDEDLN O=C(NCCn1ccc(C(F)(F)F)n1)C(F)C(F)(F)F ZINC000834435892 707053361 /nfs/dbraw/zinc/05/33/61/707053361.db2.gz ILCIHZNUWCILIM-LURJTMIESA-N 0 2 307.169 1.919 20 30 DDEDLN O=C(NCCn1ccc(C(F)(F)F)n1)[C@H](F)C(F)(F)F ZINC000834435892 707053363 /nfs/dbraw/zinc/05/33/63/707053363.db2.gz ILCIHZNUWCILIM-LURJTMIESA-N 0 2 307.169 1.919 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000909519674 709499344 /nfs/dbraw/zinc/49/93/44/709499344.db2.gz JFLREYWQNNPEGU-BBRMVZONSA-N 0 2 314.385 1.986 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000909519674 709499346 /nfs/dbraw/zinc/49/93/46/709499346.db2.gz JFLREYWQNNPEGU-BBRMVZONSA-N 0 2 314.385 1.986 20 30 DDEDLN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCO[C@@](C)(C#N)C1)c2=O ZINC000900741735 709738297 /nfs/dbraw/zinc/73/82/97/709738297.db2.gz WGRNZHQHPQWIHJ-INIZCTEOSA-N 0 2 312.329 1.399 20 30 DDEDLN C=C(Cl)C[C@@H]([NH3+])C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000901063726 709908768 /nfs/dbraw/zinc/90/87/68/709908768.db2.gz SXJLGDPDAOVDJY-LMLFDSFASA-N 0 2 306.815 1.091 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC000892864128 710515013 /nfs/dbraw/zinc/51/50/13/710515013.db2.gz RUWLDEAFTJACLS-NWDGAFQWSA-N 0 2 303.362 1.907 20 30 DDEDLN CCS(=O)(CC)=NS(=O)(=O)N[C@@](C)(C#N)C(C)(C)C ZINC000903105249 711032638 /nfs/dbraw/zinc/03/26/38/711032638.db2.gz BEMAGGFDPWLDBO-NSHDSACASA-N 0 2 309.457 1.657 20 30 DDEDLN C[C@]1(CS(=O)(=O)Nc2ccncc2C#N)CC1(Cl)Cl ZINC000903150623 711048949 /nfs/dbraw/zinc/04/89/49/711048949.db2.gz VMPPJMYAWRLZQD-SNVBAGLBSA-N 0 2 320.201 1.701 20 30 DDEDLN C#CCSCC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC000913557632 713259285 /nfs/dbraw/zinc/25/92/85/713259285.db2.gz CWBNTXSVVYMLLU-GFCCVEGCSA-N 0 2 316.386 1.277 20 30 DDEDLN C[S@@](=O)(=NS(=O)(=O)NC1(C#N)CC1)C1CCCCC1 ZINC000906062454 712234408 /nfs/dbraw/zinc/23/44/08/712234408.db2.gz YUTQWGLNTZICAX-SFHVURJKSA-N 0 2 305.425 1.307 20 30 DDEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(OC)c2)NC1=O ZINC000914582073 713397829 /nfs/dbraw/zinc/39/78/29/713397829.db2.gz PFMIWHCZUDUMJC-LLVKDONJSA-N 0 2 323.374 1.059 20 30 DDEDLN C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)C(F)C(F)(F)F ZINC001104846960 737275887 /nfs/dbraw/zinc/27/58/87/737275887.db2.gz ATSNMJXCUFMHNM-OIBJUYFYSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001104846960 737275898 /nfs/dbraw/zinc/27/58/98/737275898.db2.gz ATSNMJXCUFMHNM-OIBJUYFYSA-N 0 2 319.262 1.507 20 30 DDEDLN COC(=O)c1scc(C#N)c1NC(=O)C(CO)C(F)(F)F ZINC001183277627 743806026 /nfs/dbraw/zinc/80/60/26/743806026.db2.gz AGINNRAFBOYBMF-ZCFIWIBFSA-N 0 2 322.264 1.516 20 30 DDEDLN COC(=O)c1scc(C#N)c1NC(=O)[C@@H](CO)C(F)(F)F ZINC001183277627 743806032 /nfs/dbraw/zinc/80/60/32/743806032.db2.gz AGINNRAFBOYBMF-ZCFIWIBFSA-N 0 2 322.264 1.516 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)Cc2cc(F)ccc2F)CCC1=O ZINC001189677990 744943901 /nfs/dbraw/zinc/94/39/01/744943901.db2.gz CXKPQLRXIKXKJZ-JTQLQIEISA-N 0 2 314.313 1.209 20 30 DDEDLN C#Cc1nc(Br)cnc1NS(=O)(=O)CCCF ZINC001189868706 745007115 /nfs/dbraw/zinc/00/71/15/745007115.db2.gz XUACLIGGFOVPTH-UHFFFAOYSA-N 0 2 322.159 1.322 20 30 DDEDLN CCc1ncc(Br)cc1NS(=O)(=O)CC#N ZINC001192950824 745931515 /nfs/dbraw/zinc/93/15/15/745931515.db2.gz CVEQJXHBASKSKK-UHFFFAOYSA-N 0 2 304.169 1.672 20 30 DDEDLN CSc1nc(NC(=O)c2cccc(C#N)c2O)cc(=O)[nH]1 ZINC001193634721 746156611 /nfs/dbraw/zinc/15/66/11/746156611.db2.gz IBBVWEVWXIAGKJ-UHFFFAOYSA-N 0 2 302.315 1.734 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccc2occc2c1 ZINC001198881147 747644341 /nfs/dbraw/zinc/64/43/41/747644341.db2.gz OKUNTGQFVYHKST-LLVKDONJSA-N 0 2 308.315 1.166 20 30 DDEDLN C#CCC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033095657 748245141 /nfs/dbraw/zinc/24/51/41/748245141.db2.gz CONNNYXJCZGJSS-INIZCTEOSA-N 0 2 314.433 1.318 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1cncc(N)c1 ZINC001201585212 748550797 /nfs/dbraw/zinc/55/07/97/748550797.db2.gz FCOUABLVSOWGOH-UHFFFAOYSA-N 0 2 304.331 1.345 20 30 DDEDLN C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213286 748950576 /nfs/dbraw/zinc/95/05/76/748950576.db2.gz ZESKBKGHYBHDHH-UONOGXRCSA-N 0 2 302.422 1.542 20 30 DDEDLN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213286 748950579 /nfs/dbraw/zinc/95/05/79/748950579.db2.gz ZESKBKGHYBHDHH-UONOGXRCSA-N 0 2 302.422 1.542 20 30 DDEDLN C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213287 748950688 /nfs/dbraw/zinc/95/06/88/748950688.db2.gz ZESKBKGHYBHDHH-ZIAGYGMSSA-N 0 2 302.422 1.542 20 30 DDEDLN C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001033213287 748950694 /nfs/dbraw/zinc/95/06/94/748950694.db2.gz ZESKBKGHYBHDHH-ZIAGYGMSSA-N 0 2 302.422 1.542 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001098327424 763526983 /nfs/dbraw/zinc/52/69/83/763526983.db2.gz JEPNSYMHKJLBRG-IMTBSYHQSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001098327424 763526988 /nfs/dbraw/zinc/52/69/88/763526988.db2.gz JEPNSYMHKJLBRG-IMTBSYHQSA-N 0 2 305.235 1.165 20 30 DDEDLN CN(CCCNc1cnc(C#N)cn1)C(=O)C(F)C(F)(F)F ZINC001109645470 763906193 /nfs/dbraw/zinc/90/61/93/763906193.db2.gz FZKKJEITRMVEJE-SNVBAGLBSA-N 0 2 319.262 1.509 20 30 DDEDLN CN(CCCNc1cnc(C#N)cn1)C(=O)[C@@H](F)C(F)(F)F ZINC001109645470 763906199 /nfs/dbraw/zinc/90/61/99/763906199.db2.gz FZKKJEITRMVEJE-SNVBAGLBSA-N 0 2 319.262 1.509 20 30 DDEDLN CN(CCCNc1cncc(C#N)n1)C(=O)C(F)C(F)(F)F ZINC001109645703 763907419 /nfs/dbraw/zinc/90/74/19/763907419.db2.gz QDVCLDQSLJOEEH-SNVBAGLBSA-N 0 2 319.262 1.509 20 30 DDEDLN CN(CCCNc1cncc(C#N)n1)C(=O)[C@@H](F)C(F)(F)F ZINC001109645703 763907424 /nfs/dbraw/zinc/90/74/24/763907424.db2.gz QDVCLDQSLJOEEH-SNVBAGLBSA-N 0 2 319.262 1.509 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccc(C#N)nc1 ZINC001113934706 766425999 /nfs/dbraw/zinc/42/59/99/766425999.db2.gz PVTOGKTXKUVYKK-KCJUWKMLSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1ccc(C#N)nc1 ZINC001113934706 766426005 /nfs/dbraw/zinc/42/60/05/766426005.db2.gz PVTOGKTXKUVYKK-KCJUWKMLSA-N 0 2 318.274 1.795 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)cn1 ZINC001097106456 771626059 /nfs/dbraw/zinc/62/60/59/771626059.db2.gz RDTWMCRVNFUFRU-GMTAPVOTSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2)cn1 ZINC001097106456 771626063 /nfs/dbraw/zinc/62/60/63/771626063.db2.gz RDTWMCRVNFUFRU-GMTAPVOTSA-N 0 2 316.258 1.913 20 30 DDEDLN CN(CCNc1cncc(C#N)n1)C(=O)[C@@H](F)C(F)(F)F ZINC001102003326 777787153 /nfs/dbraw/zinc/78/71/53/777787153.db2.gz UAYCPTFWZAOWGY-SECBINFHSA-N 0 2 305.235 1.119 20 30 DDEDLN CN(CCNc1cncc(C#N)n1)C(=O)C(F)C(F)(F)F ZINC001102003326 777787145 /nfs/dbraw/zinc/78/71/45/777787145.db2.gz UAYCPTFWZAOWGY-SECBINFHSA-N 0 2 305.235 1.119 20 30 DDEDLN C=CCCC[C@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001137810391 859980688 /nfs/dbraw/zinc/98/06/88/859980688.db2.gz LDOSDOKQFAXGSG-NSHDSACASA-N 0 2 316.361 1.741 20 30 DDEDLN COC(=O)C1(C#N)CCN(C(=O)c2cccc(Cl)c2O)CC1 ZINC001361441052 881659324 /nfs/dbraw/zinc/65/93/24/881659324.db2.gz SCSMMWAYZZBYKU-UHFFFAOYSA-N 0 2 322.748 1.965 20 30 DDEDLN Cc1nc2ccc(S(=O)(=O)Nc3cnn(CC#N)c3)cc2o1 ZINC001321770954 867783151 /nfs/dbraw/zinc/78/31/51/867783151.db2.gz QVJFSLHMBKXQKU-UHFFFAOYSA-N 0 2 317.330 1.657 20 30 DDEDLN Cc1cc(C)n(CCCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)n1 ZINC001342974264 872452828 /nfs/dbraw/zinc/45/28/28/872452828.db2.gz AASPRCLEJPEGFO-CYBMUJFWSA-N 0 2 313.361 1.605 20 30 DDEDLN COCCOCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1O ZINC001276494529 872615135 /nfs/dbraw/zinc/61/51/35/872615135.db2.gz VCVXDLQPUVGLEE-IYBDPMFKSA-N 0 2 317.389 1.143 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208294704 873967828 /nfs/dbraw/zinc/96/78/28/873967828.db2.gz NKYLMOVFULHSIR-GHMZBOCLSA-N 0 2 307.398 1.049 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208294704 873967840 /nfs/dbraw/zinc/96/78/40/873967840.db2.gz NKYLMOVFULHSIR-GHMZBOCLSA-N 0 2 307.398 1.049 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC001362065872 882947213 /nfs/dbraw/zinc/94/72/13/882947213.db2.gz RSOGDXKGDOPAOT-CYBMUJFWSA-N 0 2 311.345 1.641 20 30 DDEDLN C#CCCCC(=O)N1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001356816758 879422056 /nfs/dbraw/zinc/42/20/56/879422056.db2.gz OTYIEMLVTKPKBZ-LLVKDONJSA-N 0 2 308.275 1.265 20 30 DDEDLN C#CCCCC(=O)N1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001356816758 879422065 /nfs/dbraw/zinc/42/20/65/879422065.db2.gz OTYIEMLVTKPKBZ-LLVKDONJSA-N 0 2 308.275 1.265 20 30 DDEDLN C=CC(C)(C)C(=O)NCC1(NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001358682485 880753329 /nfs/dbraw/zinc/75/33/29/880753329.db2.gz MWQMGQASDURHOW-UHFFFAOYSA-N 0 2 304.394 1.238 20 30 DDEDLN CC[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@H](C)CO1 ZINC001365313067 890567167 /nfs/dbraw/zinc/56/71/67/890567167.db2.gz GAQGHTZGBFESNH-ZWNOBZJWSA-N 0 2 301.350 1.306 20 30 DDEDLN CC[C@@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@H](C)CO1 ZINC001365313067 890567168 /nfs/dbraw/zinc/56/71/68/890567168.db2.gz GAQGHTZGBFESNH-ZWNOBZJWSA-N 0 2 301.350 1.306 20 30 DDEDLN N#CCc1cccc(NS(=O)(=O)Cc2noc(C3CC3)n2)n1 ZINC001365742385 891436297 /nfs/dbraw/zinc/43/62/97/891436297.db2.gz TWWWKVWAJMEDKA-UHFFFAOYSA-N 0 2 319.346 1.350 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2ccccc2C#N)n2ncnc2n1 ZINC001258196573 898101603 /nfs/dbraw/zinc/10/16/03/898101603.db2.gz VUWUSPVDQJBDSE-UHFFFAOYSA-N 0 2 314.330 1.105 20 30 DDEDLN CC(C)C#CC(=O)N[C@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001299534663 898321087 /nfs/dbraw/zinc/32/10/87/898321087.db2.gz YFSTWVBBDSZVTE-WCQYABFASA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)N[C@]1(C)CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001299534663 898321100 /nfs/dbraw/zinc/32/11/00/898321100.db2.gz YFSTWVBBDSZVTE-WCQYABFASA-N 0 2 322.302 1.653 20 30 DDEDLN CSc1nccc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC001259117675 898476789 /nfs/dbraw/zinc/47/67/89/898476789.db2.gz XIXGSCUJJUJSRC-UHFFFAOYSA-N 0 2 306.372 1.871 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1C#N ZINC001261029472 899329821 /nfs/dbraw/zinc/32/98/21/899329821.db2.gz WVJKEYJBYISWPM-UHFFFAOYSA-N 0 2 306.347 1.708 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)N(C)C1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001265197508 901691398 /nfs/dbraw/zinc/69/13/98/901691398.db2.gz SGALGGQDRTXEAU-INIZCTEOSA-N 0 2 321.425 1.535 20 30 DDEDLN C#CCCCC(=O)NC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001283426034 907341359 /nfs/dbraw/zinc/34/13/59/907341359.db2.gz AORWHDWEVRDIDX-LBPRGKRZSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)NC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001283426034 907341360 /nfs/dbraw/zinc/34/13/60/907341360.db2.gz AORWHDWEVRDIDX-LBPRGKRZSA-N 0 2 322.302 1.798 20 30 DDEDLN CC#CCCCC(=O)NC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001285738858 911129083 /nfs/dbraw/zinc/12/90/83/911129083.db2.gz QOYSFKOTVUBXSU-GXSJLCMTSA-N 0 2 310.291 1.701 20 30 DDEDLN CC#CCCCC(=O)NC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001285738858 911129101 /nfs/dbraw/zinc/12/91/01/911129101.db2.gz QOYSFKOTVUBXSU-GXSJLCMTSA-N 0 2 310.291 1.701 20 30 DDEDLN CCc1c(C(=O)NC2=NC(=O)CN2)cnn1-c1ccc(F)cc1 ZINC000050223242 352565123 /nfs/dbraw/zinc/56/51/23/352565123.db2.gz DXCJPGZDAIPYTP-UHFFFAOYSA-N 0 2 315.308 1.364 20 30 DDEDLN CSc1cc(NS(=O)(=O)c2cncc(C#N)c2)ccn1 ZINC000589587790 355002704 /nfs/dbraw/zinc/00/27/04/355002704.db2.gz UFUYPHMWDMIEOK-UHFFFAOYSA-N 0 2 306.372 1.871 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)C[C@H](OC)C(C)C ZINC000592351429 355565194 /nfs/dbraw/zinc/56/51/94/355565194.db2.gz UZOIJBUHRCEAJA-AWEZNQCLSA-N 0 2 312.391 1.980 20 30 DDEDLN N#CCN(C(=O)c1cccc(-c2nc(=O)o[nH]2)c1)C1CCCC1 ZINC000597276610 357118381 /nfs/dbraw/zinc/11/83/81/357118381.db2.gz NCYNTACMLFEEKY-UHFFFAOYSA-N 0 2 312.329 1.938 20 30 DDEDLN N#CC1(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CCOCC1 ZINC000597491032 357194676 /nfs/dbraw/zinc/19/46/76/357194676.db2.gz DMPBWXQIEQBHKF-UHFFFAOYSA-N 0 2 305.290 1.949 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1noc(C2CC2)n1 ZINC000180785949 199209106 /nfs/dbraw/zinc/20/91/06/199209106.db2.gz FBSFQRVQSIWXNT-UHFFFAOYSA-N 0 2 304.331 1.928 20 30 DDEDLN N#CCn1c(C(=O)NCCCc2n[nH]c(=O)[nH]2)cc2ccccc21 ZINC000610494318 360452048 /nfs/dbraw/zinc/45/20/48/360452048.db2.gz YAIYPYDGDLODAC-UHFFFAOYSA-N 0 2 324.344 1.351 20 30 DDEDLN COc1cccc(S(=O)(=O)Nc2cc(CC#N)ccn2)c1 ZINC000610783756 360537543 /nfs/dbraw/zinc/53/75/43/360537543.db2.gz MNCVKEDBWADKMM-UHFFFAOYSA-N 0 2 303.343 1.957 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCSC2)cc1C#N ZINC000330964743 533078532 /nfs/dbraw/zinc/07/85/32/533078532.db2.gz MIPZEJTZHXPRCB-QMMMGPOBSA-N 0 2 309.416 1.864 20 30 DDEDLN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1O ZINC000120531773 195185517 /nfs/dbraw/zinc/18/55/17/195185517.db2.gz QQNULGRHOLSSOQ-UHFFFAOYSA-N 0 2 319.298 1.973 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc(-c3cccnc3)on2)[nH]c1C#N ZINC000052557131 407153001 /nfs/dbraw/zinc/15/30/01/407153001.db2.gz LTGORJYVJQMKFD-UHFFFAOYSA-N 0 2 305.257 1.455 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1 ZINC000116710468 407769816 /nfs/dbraw/zinc/76/98/16/407769816.db2.gz PHBHYCKOHAVJHD-UHFFFAOYSA-N 0 2 312.301 1.821 20 30 DDEDLN C=CCS(=O)(=O)CCNC(=O)c1cc(F)cc(Cl)c1O ZINC000273499469 408222577 /nfs/dbraw/zinc/22/25/77/408222577.db2.gz NTFGGVABENKNHE-UHFFFAOYSA-N 0 2 321.757 1.515 20 30 DDEDLN CCCS(=O)(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000182724760 408234055 /nfs/dbraw/zinc/23/40/55/408234055.db2.gz DKIOTOCOAOSPQV-UHFFFAOYSA-N 0 2 305.363 1.350 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)cn1 ZINC000285196066 409401570 /nfs/dbraw/zinc/40/15/70/409401570.db2.gz SIXIDLBPSMFYGZ-UHFFFAOYSA-N 0 2 307.335 1.001 20 30 DDEDLN COc1ccc(O)c(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000315004801 164018055 /nfs/dbraw/zinc/01/80/55/164018055.db2.gz SVJCBPQQDKMYEO-UHFFFAOYSA-N 0 2 305.315 1.468 20 30 DDEDLN CO[C@H]1CCCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000341969670 409531382 /nfs/dbraw/zinc/53/13/82/409531382.db2.gz NNGHKWXTYNFGLP-JTQLQIEISA-N 0 2 307.375 1.632 20 30 DDEDLN CC(C)Cc1cc(NS(=O)(=O)c2ccc(C#N)nc2)[nH]n1 ZINC000353906647 409552055 /nfs/dbraw/zinc/55/20/55/409552055.db2.gz RDAHVWTYECWTNN-UHFFFAOYSA-N 0 2 305.363 1.676 20 30 DDEDLN N#CCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000356935395 409732353 /nfs/dbraw/zinc/73/23/53/409732353.db2.gz FHGMMMICFRWLIK-UHFFFAOYSA-N 0 2 322.371 1.796 20 30 DDEDLN Cc1noc2ncc(NS(=O)(=O)c3cncc(C#N)c3)cc12 ZINC000357148396 409904423 /nfs/dbraw/zinc/90/44/23/409904423.db2.gz NCCGTFONKPPNTB-UHFFFAOYSA-N 0 2 315.314 1.599 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cc3ccccc3c(=O)n2C)c1C#N ZINC000357238751 409950241 /nfs/dbraw/zinc/95/02/41/409950241.db2.gz GLGCGJVUGXALMH-UHFFFAOYSA-N 0 2 307.313 1.694 20 30 DDEDLN CSc1[n-]c(=O)c(C(=O)NCCCn2cc[nH+]c2)cc1C#N ZINC000357613717 410135069 /nfs/dbraw/zinc/13/50/69/410135069.db2.gz OURMGNPGNWGFBW-UHFFFAOYSA-N 0 2 317.374 1.397 20 30 DDEDLN Cc1onc(CC(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)c1C#N ZINC000356026673 410779831 /nfs/dbraw/zinc/77/98/31/410779831.db2.gz UQCIDPHHOBEMMI-UHFFFAOYSA-N 0 2 324.300 1.527 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2cscn2)cc1C#N ZINC000353351911 410934119 /nfs/dbraw/zinc/93/41/19/410934119.db2.gz OUGXDJJRGPHLKJ-UHFFFAOYSA-N 0 2 306.372 1.767 20 30 DDEDLN C=CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000652399552 423001260 /nfs/dbraw/zinc/00/12/60/423001260.db2.gz QPJXYJOHPAIJOZ-AWEZNQCLSA-N 0 2 309.387 1.560 20 30 DDEDLN C=CC[N@H+](Cc1ccc(C(=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000652399552 423001266 /nfs/dbraw/zinc/00/12/66/423001266.db2.gz QPJXYJOHPAIJOZ-AWEZNQCLSA-N 0 2 309.387 1.560 20 30 DDEDLN C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000375461320 418642597 /nfs/dbraw/zinc/64/25/97/418642597.db2.gz FJEIZZAOLIXDSS-QGZVFWFLSA-N 0 2 316.424 1.909 20 30 DDEDLN Cc1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])nn1-c1cccc(C#N)c1 ZINC000372473141 418874703 /nfs/dbraw/zinc/87/47/03/418874703.db2.gz MSNNXLQRZIJACP-OLZOCXBDSA-N 0 2 311.301 1.656 20 30 DDEDLN CC[C@@]1(O)CCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000428746291 419924696 /nfs/dbraw/zinc/92/46/96/419924696.db2.gz SFZWEDKBFCPRGX-CQSZACIVSA-N 0 2 307.375 1.368 20 30 DDEDLN CC(C)(C)c1nsc(NS(=O)(=O)c2ccc(C#N)nc2)n1 ZINC000442620916 420690572 /nfs/dbraw/zinc/69/05/72/420690572.db2.gz XZDOQQPDGHBZRU-UHFFFAOYSA-N 0 2 323.403 1.325 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC(=O)C2CCCC2)cc1C#N ZINC000628997133 422437789 /nfs/dbraw/zinc/43/77/89/422437789.db2.gz VWILGARZRBLSOI-UHFFFAOYSA-N 0 2 319.386 1.870 20 30 DDEDLN Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)ncc1C#N ZINC000573922600 308256024 /nfs/dbraw/zinc/25/60/24/308256024.db2.gz IDWHPGDGHYHXNC-UHFFFAOYSA-N 0 2 312.333 1.105 20 30 DDEDLN Cn1cc(C(=O)C(C#N)c2ccncn2)c(-c2cccnc2)n1 ZINC000680617003 486243623 /nfs/dbraw/zinc/24/36/23/486243623.db2.gz AFIYQUVDRHLFQF-LBPRGKRZSA-N 0 2 304.313 1.762 20 30 DDEDLN Cn1cc(C(=O)[C@@H](C#N)c2ccncn2)c(-c2cccnc2)n1 ZINC000680617003 486243627 /nfs/dbraw/zinc/24/36/27/486243627.db2.gz AFIYQUVDRHLFQF-LBPRGKRZSA-N 0 2 304.313 1.762 20 30 DDEDLN N#C[C@H](C(=O)c1coc(C(N)=O)c1)c1cnc2ccccc2n1 ZINC000361525538 534740293 /nfs/dbraw/zinc/74/02/93/534740293.db2.gz NRPUAYPOXHNPKH-JTQLQIEISA-N 0 2 306.281 1.812 20 30 DDEDLN C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccoc2)cc1 ZINC000350033827 526655293 /nfs/dbraw/zinc/65/52/93/526655293.db2.gz IMIMFWSQKAZXIR-UHFFFAOYSA-N 0 2 306.343 1.996 20 30 DDEDLN CC(C)N1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1=O ZINC000330599023 529098529 /nfs/dbraw/zinc/09/85/29/529098529.db2.gz UELYXRAIKDSBLV-SECBINFHSA-N 0 2 307.306 1.614 20 30 DDEDLN COc1ccccc1OCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000122833390 696725670 /nfs/dbraw/zinc/72/56/70/696725670.db2.gz NYCBTUVXQXWRFO-LLVKDONJSA-N 0 2 313.313 1.399 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cn1 ZINC000747406937 700068450 /nfs/dbraw/zinc/06/84/50/700068450.db2.gz MPSOBEIPPJBJGB-UHFFFAOYSA-N 0 2 321.749 1.733 20 30 DDEDLN C=CCOc1ccccc1C(=O)NCCc1n[nH]c(=S)o1 ZINC000773088800 697712074 /nfs/dbraw/zinc/71/20/74/697712074.db2.gz SWNQBWWGBOSWKU-UHFFFAOYSA-N 0 2 305.359 1.896 20 30 DDEDLN COCc1ccccc1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC000778561895 698348222 /nfs/dbraw/zinc/34/82/22/698348222.db2.gz VPVRUVYLQMNJEV-UHFFFAOYSA-N 0 2 306.347 1.354 20 30 DDEDLN N#CCc1ccccc1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC000794583830 699817734 /nfs/dbraw/zinc/81/77/34/699817734.db2.gz FWHJIDRFFXCIHR-UHFFFAOYSA-N 0 2 301.331 1.274 20 30 DDEDLN COCCC1N=NC(=S)N1N=Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000743446809 699912781 /nfs/dbraw/zinc/91/27/81/699912781.db2.gz FCLFJDMPJMAOGU-UHFFFAOYSA-N 0 2 323.334 1.252 20 30 DDEDLN Cn1ncc2c1[nH]c(NN=C1[C@H]3CCCO[C@H]3C1(C)C)nc2=O ZINC000769815939 701257686 /nfs/dbraw/zinc/25/76/86/701257686.db2.gz ANUANPKILMMDAI-LDYMZIIASA-N 0 2 316.365 1.672 20 30 DDEDLN Cn1ncc2c1nc(N=NC1[C@H]3CCCO[C@H]3C1(C)C)[nH]c2=O ZINC000769815939 701257687 /nfs/dbraw/zinc/25/76/87/701257687.db2.gz ANUANPKILMMDAI-LDYMZIIASA-N 0 2 316.365 1.672 20 30 DDEDLN CN(CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C(=O)OC(C)(C)C ZINC000770731162 701292614 /nfs/dbraw/zinc/29/26/14/701292614.db2.gz YLAJEKZPBGHZIU-SNVBAGLBSA-N 0 2 320.349 1.179 20 30 DDEDLN C[C@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770863820 701298102 /nfs/dbraw/zinc/29/81/02/701298102.db2.gz VZCQAZSMVRAQTB-VHSXEESVSA-N 0 2 320.349 1.225 20 30 DDEDLN Oc1cc(F)c(Cl)cc1C=NNCCCN1CCOCC1 ZINC000814923159 701771751 /nfs/dbraw/zinc/77/17/51/701771751.db2.gz ABDPCKYFZXOSEN-UHFFFAOYSA-N 0 2 315.776 1.831 20 30 DDEDLN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000843726278 702917520 /nfs/dbraw/zinc/91/75/20/702917520.db2.gz LARDZMGWZZXNDI-YLWLKBPMSA-N 0 2 324.196 1.414 20 30 DDEDLN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000843726278 702917522 /nfs/dbraw/zinc/91/75/22/702917522.db2.gz LARDZMGWZZXNDI-YLWLKBPMSA-N 0 2 324.196 1.414 20 30 DDEDLN C=C[C@@H](C)ONC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000845626078 703183859 /nfs/dbraw/zinc/18/38/59/703183859.db2.gz QSCPLOANHKZGHC-LLVKDONJSA-N 0 2 317.349 1.689 20 30 DDEDLN CS(=O)(=O)CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845836833 703208169 /nfs/dbraw/zinc/20/81/69/703208169.db2.gz BYTIYPCRKZYGBU-LBPRGKRZSA-N 0 2 305.355 1.041 20 30 DDEDLN C=CCC[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(=O)[O-] ZINC000909716123 709594187 /nfs/dbraw/zinc/59/41/87/709594187.db2.gz PQZBPNQRPMULIM-MFKMUULPSA-N 0 2 306.366 1.326 20 30 DDEDLN C=CCC[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(=O)[O-] ZINC000909716123 709594190 /nfs/dbraw/zinc/59/41/90/709594190.db2.gz PQZBPNQRPMULIM-MFKMUULPSA-N 0 2 306.366 1.326 20 30 DDEDLN C=CCOC[C@@H]([NH2+]Cc1nn(CC)c2ccccc12)C(=O)[O-] ZINC000901810327 710153238 /nfs/dbraw/zinc/15/32/38/710153238.db2.gz YUUABJBKSVVKHY-CQSZACIVSA-N 0 2 303.362 1.802 20 30 DDEDLN N#Cc1ccc(C(=O)N2CC[NH+](CCCCCO)CC2)cc1[O-] ZINC000913693219 713283644 /nfs/dbraw/zinc/28/36/44/713283644.db2.gz RQCNNOFHZRAHDI-UHFFFAOYSA-N 0 2 317.389 1.184 20 30 DDEDLN C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001027885206 738772938 /nfs/dbraw/zinc/77/29/38/738772938.db2.gz BJAOIOSZLAVOIV-CABCVRRESA-N 0 2 302.422 1.986 20 30 DDEDLN C=C1CC(C)(C(=O)N2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001011240127 734977469 /nfs/dbraw/zinc/97/74/69/734977469.db2.gz OLCYGACELUPJIC-SNVBAGLBSA-N 0 2 322.302 1.914 20 30 DDEDLN C=C1CC(C)(C(=O)N2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001011240127 734977475 /nfs/dbraw/zinc/97/74/75/734977475.db2.gz OLCYGACELUPJIC-SNVBAGLBSA-N 0 2 322.302 1.914 20 30 DDEDLN C=CCC1(S(=O)(=O)Nc2c(Cl)nccc2C(N)=O)CC1 ZINC001190772665 745325839 /nfs/dbraw/zinc/32/58/39/745325839.db2.gz GYUPVCXGVOSLTO-UHFFFAOYSA-N 0 2 315.782 1.684 20 30 DDEDLN Cc1cc(Cl)ncc1S(=O)(=O)Nc1cnn(C)c1C#N ZINC001192321204 745752834 /nfs/dbraw/zinc/75/28/34/745752834.db2.gz JUCWJIXBEUOLLI-UHFFFAOYSA-N 0 2 311.754 1.449 20 30 DDEDLN N#Cc1ccc(NC/C=C/CNC(=O)C(F)C(F)(F)F)nc1 ZINC001107561295 750139490 /nfs/dbraw/zinc/13/94/90/750139490.db2.gz KASHZSLEGOYTSM-GXFZAYBSSA-N 0 2 316.258 1.938 20 30 DDEDLN N#Cc1ccc(NC/C=C/CNC(=O)[C@H](F)C(F)(F)F)nc1 ZINC001107561295 750139493 /nfs/dbraw/zinc/13/94/93/750139493.db2.gz KASHZSLEGOYTSM-GXFZAYBSSA-N 0 2 316.258 1.938 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1 ZINC001110933295 750240670 /nfs/dbraw/zinc/24/06/70/750240670.db2.gz IXDSEUSOEQECLR-LPWJVIDDSA-N 0 2 319.409 1.334 20 30 DDEDLN CC(C)C#CC(=O)N(C)CCCN(C)C(=O)C(F)C(F)(F)F ZINC001067362826 763197878 /nfs/dbraw/zinc/19/78/78/763197878.db2.gz BQIGPWZGFUJNBZ-LBPRGKRZSA-N 0 2 324.318 1.853 20 30 DDEDLN CC(C)C#CC(=O)N(C)CCCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001067362826 763197883 /nfs/dbraw/zinc/19/78/83/763197883.db2.gz BQIGPWZGFUJNBZ-LBPRGKRZSA-N 0 2 324.318 1.853 20 30 DDEDLN CC(C)C#CC(=O)N(C)CCCN(C)C(=O)C(F)C(F)(F)F ZINC001067362824 763198329 /nfs/dbraw/zinc/19/83/29/763198329.db2.gz BQIGPWZGFUJNBZ-GFCCVEGCSA-N 0 2 324.318 1.853 20 30 DDEDLN CC(C)C#CC(=O)N(C)CCCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001067362824 763198333 /nfs/dbraw/zinc/19/83/33/763198333.db2.gz BQIGPWZGFUJNBZ-GFCCVEGCSA-N 0 2 324.318 1.853 20 30 DDEDLN C[C@@H](CN(C)c1ncccc1C#N)NC(=O)C(F)C(F)(F)F ZINC001109274421 763536920 /nfs/dbraw/zinc/53/69/20/763536920.db2.gz DZEAFGWLSUGDIU-WPRPVWTQSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CN(C)c1ncccc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001109274421 763536925 /nfs/dbraw/zinc/53/69/25/763536925.db2.gz DZEAFGWLSUGDIU-WPRPVWTQSA-N 0 2 318.274 1.795 20 30 DDEDLN O=C1NC(=O)C(=NNc2c(Cl)cccc2Cl)C(=O)N1 ZINC000005426527 766740882 /nfs/dbraw/zinc/74/08/82/766740882.db2.gz QEPAIWATSSETMA-UHFFFAOYSA-N 0 2 301.089 1.127 20 30 DDEDLN CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001070841192 768751893 /nfs/dbraw/zinc/75/18/93/768751893.db2.gz PNDZBLJTWFNGIL-PWSUYJOCSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)N[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001070841192 768751895 /nfs/dbraw/zinc/75/18/95/768751895.db2.gz PNDZBLJTWFNGIL-PWSUYJOCSA-N 0 2 322.302 1.653 20 30 DDEDLN N#Cc1ccc(N2CC[C@H](NC(=O)C(F)C(F)(F)F)C2)nc1 ZINC001096490563 770460433 /nfs/dbraw/zinc/46/04/33/770460433.db2.gz BNAWYCULKTZGJK-GXSJLCMTSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2)nc1 ZINC001096490563 770460439 /nfs/dbraw/zinc/46/04/39/770460439.db2.gz BNAWYCULKTZGJK-GXSJLCMTSA-N 0 2 316.258 1.549 20 30 DDEDLN CN(CCNC(=O)C(F)C(F)(F)F)c1ccncc1C#N ZINC001100367008 776059267 /nfs/dbraw/zinc/05/92/67/776059267.db2.gz PGYBRNZSALHBRL-SNVBAGLBSA-N 0 2 304.247 1.406 20 30 DDEDLN CN(CCNC(=O)[C@@H](F)C(F)(F)F)c1ccncc1C#N ZINC001100367008 776059270 /nfs/dbraw/zinc/05/92/70/776059270.db2.gz PGYBRNZSALHBRL-SNVBAGLBSA-N 0 2 304.247 1.406 20 30 DDEDLN CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H](C#N)Cc1cccs1 ZINC001177915212 778782050 /nfs/dbraw/zinc/78/20/50/778782050.db2.gz KXFFMVPWBSQBTN-PWSUYJOCSA-N 0 2 324.402 1.249 20 30 DDEDLN CC[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001103340917 778801321 /nfs/dbraw/zinc/80/13/21/778801321.db2.gz OYJCWMWXGRBGCV-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001103340917 778801323 /nfs/dbraw/zinc/80/13/23/778801323.db2.gz OYJCWMWXGRBGCV-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN Nc1cnnc(N=NCc2cc([N+](=O)[O-])ccc2O)c1Cl ZINC001116291786 780494625 /nfs/dbraw/zinc/49/46/25/780494625.db2.gz VSWZOKAXBXTRQR-UHFFFAOYSA-N 0 2 308.685 1.772 20 30 DDEDLN C#CCN1CC[C@@]2(CCCN2C(=O)C=C(O)c2ccccc2)C1=O ZINC001271010173 843130841 /nfs/dbraw/zinc/13/08/41/843130841.db2.gz ZQTAIXSXVMTFIF-IBGZPJMESA-N 0 2 324.380 1.486 20 30 DDEDLN N#Cc1ccc(NC(=O)c2cnc3cccnc3c2O)c(O)c1 ZINC001153858470 864166590 /nfs/dbraw/zinc/16/65/90/864166590.db2.gz XAKSCVOFUWYIPT-UHFFFAOYSA-N 0 2 306.281 1.753 20 30 DDEDLN C[C@H](NC(=O)C(=O)C=Cc1ccc(F)cc1)c1nn(C)cc1O ZINC001158308255 864563875 /nfs/dbraw/zinc/56/38/75/864563875.db2.gz VCFCIIIXZDZVKG-NVDWLVSRSA-N 0 2 317.320 1.725 20 30 DDEDLN C#CC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)C(=O)[O-] ZINC001333348015 866656777 /nfs/dbraw/zinc/65/67/77/866656777.db2.gz WGEOKGFQNNKCBS-CABCVRRESA-N 0 2 315.373 1.029 20 30 DDEDLN C#CC[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)C(=O)[O-] ZINC001333348015 866656786 /nfs/dbraw/zinc/65/67/86/866656786.db2.gz WGEOKGFQNNKCBS-CABCVRRESA-N 0 2 315.373 1.029 20 30 DDEDLN C=C[C@H](COC)NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC001320621283 866892568 /nfs/dbraw/zinc/89/25/68/866892568.db2.gz ZNBQQVXHTQKKGG-LLVKDONJSA-N 0 2 317.345 1.517 20 30 DDEDLN C#CC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1)C(=O)[O-] ZINC001334998636 867984719 /nfs/dbraw/zinc/98/47/19/867984719.db2.gz TWDYDBCSMMCULL-HUUCEWRRSA-N 0 2 315.373 1.029 20 30 DDEDLN C#CC[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1)C(=O)[O-] ZINC001334998636 867984726 /nfs/dbraw/zinc/98/47/26/867984726.db2.gz TWDYDBCSMMCULL-HUUCEWRRSA-N 0 2 315.373 1.029 20 30 DDEDLN O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001299045516 870862639 /nfs/dbraw/zinc/86/26/39/870862639.db2.gz QYNNHYIVDOWCIC-GXSJLCMTSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(C#CC1CC1)N1CC[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001299045516 870862653 /nfs/dbraw/zinc/86/26/53/870862653.db2.gz QYNNHYIVDOWCIC-GXSJLCMTSA-N 0 2 306.259 1.017 20 30 DDEDLN C=CCC1(C(=O)NCC2CN(Cc3n[nH]c(=O)[nH]3)C2)CCCC1 ZINC001318180270 871796641 /nfs/dbraw/zinc/79/66/41/871796641.db2.gz UHDAJRYBDQBKDX-UHFFFAOYSA-N 0 2 319.409 1.195 20 30 DDEDLN Cn1ccnc1[C@H](C#N)C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001342926336 872438953 /nfs/dbraw/zinc/43/89/53/872438953.db2.gz YDHPOQDDDCCIHU-MLGOLLRUSA-N 0 2 300.362 1.293 20 30 DDEDLN CC(=O)NCc1ccc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)cc1 ZINC001362274499 883458928 /nfs/dbraw/zinc/45/89/28/883458928.db2.gz ATYNDLVRQHBRGJ-UHFFFAOYSA-N 0 2 324.340 1.856 20 30 DDEDLN C#CC[C@H](C)Oc1nc(I)cc(=O)[nH]1 ZINC001228946332 883741623 /nfs/dbraw/zinc/74/16/23/883741623.db2.gz IMWYSVMDBLSNTN-LURJTMIESA-N 0 2 304.087 1.577 20 30 DDEDLN COCc1cnc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)s1 ZINC001362804437 884682216 /nfs/dbraw/zinc/68/22/16/884682216.db2.gz LXURCUOPPYQEEG-UHFFFAOYSA-N 0 2 304.331 1.823 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC001254992353 896687001 /nfs/dbraw/zinc/68/70/01/896687001.db2.gz YWZVCMCMQQPOCA-SNVBAGLBSA-N 0 2 320.729 1.213 20 30 DDEDLN N#Cc1ncc(Br)cc1NS(=O)(=O)C1CC1 ZINC001259270164 898553137 /nfs/dbraw/zinc/55/31/37/898553137.db2.gz AMUVHVDKCINPDB-UHFFFAOYSA-N 0 2 302.153 1.620 20 30 DDEDLN Cc1n[nH]c(C(=O)NCC[N@@H+](C)Cc2ccccc2C#N)c1[O-] ZINC001390755007 900108953 /nfs/dbraw/zinc/10/89/53/900108953.db2.gz VCCSBKNOUQGIJX-UHFFFAOYSA-N 0 2 313.361 1.157 20 30 DDEDLN Cc1n[nH]c(C(=O)NCC[N@H+](C)Cc2ccccc2C#N)c1[O-] ZINC001390755007 900108964 /nfs/dbraw/zinc/10/89/64/900108964.db2.gz VCCSBKNOUQGIJX-UHFFFAOYSA-N 0 2 313.361 1.157 20 30 DDEDLN C#CCC[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C(C)C ZINC001284545547 909166365 /nfs/dbraw/zinc/16/63/65/909166365.db2.gz VXLHHXKHBILQTK-HZPDHXFCSA-N 0 2 316.449 1.716 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)C(F)C(F)(F)F)C2)C1 ZINC001294761318 915350396 /nfs/dbraw/zinc/35/03/96/915350396.db2.gz ZEEKYZVJLYBVBJ-UWVGGRQHSA-N 0 2 322.302 1.960 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001294761318 915350411 /nfs/dbraw/zinc/35/04/11/915350411.db2.gz ZEEKYZVJLYBVBJ-UWVGGRQHSA-N 0 2 322.302 1.960 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c1 ZINC000615437468 362286986 /nfs/dbraw/zinc/28/69/86/362286986.db2.gz NHALFIABHNAFJF-UHFFFAOYSA-N 0 2 322.280 1.859 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)n1 ZINC000589516679 354998952 /nfs/dbraw/zinc/99/89/52/354998952.db2.gz PKWDXBJYLUNAKX-UHFFFAOYSA-N 0 2 306.285 1.696 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N[C@@H](C#N)CC(C)C)c1 ZINC000591759372 355378592 /nfs/dbraw/zinc/37/85/92/355378592.db2.gz JZTXFQJPUGDOAZ-XUSGNXJCSA-N 0 2 308.403 1.857 20 30 DDEDLN Cn1cc(C#N)cc1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000081080097 192224266 /nfs/dbraw/zinc/22/42/66/192224266.db2.gz DRVDUULPSISJEX-UHFFFAOYSA-N 0 2 309.285 1.905 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N2CCC[C@@H](CC#N)C2)c1 ZINC000597900865 357377130 /nfs/dbraw/zinc/37/71/30/357377130.db2.gz FIEISKGLVBVHGL-XMHCIUCPSA-N 0 2 320.414 1.955 20 30 DDEDLN Cc1cc(C(=O)N([C@H](C)C#N)C2CC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000598128040 357468843 /nfs/dbraw/zinc/46/88/43/357468843.db2.gz GNBKVVUMRNNXMZ-MRVPVSSYSA-N 0 2 313.317 1.261 20 30 DDEDLN COc1ccc(O[C@@H](C)C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000048156305 407090032 /nfs/dbraw/zinc/09/00/32/407090032.db2.gz KSSIELUSVSIXJJ-VIFPVBQESA-N 0 2 311.301 1.568 20 30 DDEDLN COCCCn1ccc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000116160456 407726787 /nfs/dbraw/zinc/72/67/87/407726787.db2.gz SIJOYUWMLHJING-UHFFFAOYSA-N 0 2 320.374 1.592 20 30 DDEDLN C[C@H]1CCC[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000408485683 164346672 /nfs/dbraw/zinc/34/66/72/164346672.db2.gz HRHBKCSQJKYGOE-JQWIXIFHSA-N 0 2 307.375 1.584 20 30 DDEDLN C=C[C@H](CO)NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000350462875 409950579 /nfs/dbraw/zinc/95/05/79/409950579.db2.gz RALJRRGIMSBVJB-SNVBAGLBSA-N 0 2 324.793 1.949 20 30 DDEDLN O=C(NCCc1cn2ccccc2[nH+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329281899 410210844 /nfs/dbraw/zinc/21/08/44/410210844.db2.gz FEWHCBGBKXJRHJ-AWEZNQCLSA-N 0 2 313.405 1.617 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccncc2O)cc1C#N ZINC000358364131 410458639 /nfs/dbraw/zinc/45/86/39/410458639.db2.gz YKDHACYRVWWUJD-UHFFFAOYSA-N 0 2 302.315 1.156 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc3nccnc3cc2F)[nH]c1C#N ZINC000352238233 410571781 /nfs/dbraw/zinc/57/17/81/410571781.db2.gz RHGPGMDELJHMNH-UHFFFAOYSA-N 0 2 307.248 1.488 20 30 DDEDLN Cc1cc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])nn1-c1cccc(C#N)c1 ZINC000372473142 418874662 /nfs/dbraw/zinc/87/46/62/418874662.db2.gz MSNNXLQRZIJACP-QWHCGFSZSA-N 0 2 311.301 1.656 20 30 DDEDLN CCCc1nnc(NS(=O)(=O)c2cnc(C)c(C#N)c2)o1 ZINC000427779565 419735553 /nfs/dbraw/zinc/73/55/53/419735553.db2.gz DPXPTKOYTSNQQS-UHFFFAOYSA-N 0 2 307.335 1.398 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC2(CC#N)CC2)cc1C#N ZINC000435953785 420297691 /nfs/dbraw/zinc/29/76/91/420297691.db2.gz BAZDUTPXDIPIFQ-UHFFFAOYSA-N 0 2 302.359 1.804 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCn2cccn2)cc1C#N ZINC000344211069 269816901 /nfs/dbraw/zinc/81/69/01/269816901.db2.gz JHHSCXFNTHRHHU-UHFFFAOYSA-N 0 2 303.347 1.007 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2OC)cn1 ZINC000556799937 421738891 /nfs/dbraw/zinc/73/88/91/421738891.db2.gz ZSBBTPKJIVNQTA-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN N#Cc1cccc(CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000581668557 422024649 /nfs/dbraw/zinc/02/46/49/422024649.db2.gz LWNUCOGRSPAOGY-CYBMUJFWSA-N 0 2 311.345 1.331 20 30 DDEDLN C=CC[N@H+](Cc1cn(CC(=O)[O-])nn1)Cc1ccc(OC)cc1 ZINC000574697566 422161959 /nfs/dbraw/zinc/16/19/59/422161959.db2.gz KKVTYHLQHPKDJK-UHFFFAOYSA-N 0 2 316.361 1.560 20 30 DDEDLN C=CC[N@@H+](Cc1cn(CC(=O)[O-])nn1)Cc1ccc(OC)cc1 ZINC000574697566 422161963 /nfs/dbraw/zinc/16/19/63/422161963.db2.gz KKVTYHLQHPKDJK-UHFFFAOYSA-N 0 2 316.361 1.560 20 30 DDEDLN N#Cc1cnc(N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c(Cl)c1 ZINC000370751610 268310357 /nfs/dbraw/zinc/31/03/57/268310357.db2.gz WYMRHAVPWDVVQG-VIFPVBQESA-N 0 2 304.741 1.814 20 30 DDEDLN N#C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCN1C1CC1 ZINC000364316043 303161773 /nfs/dbraw/zinc/16/17/73/303161773.db2.gz RAMLRWVZEXKKAW-GFCCVEGCSA-N 0 2 316.317 1.113 20 30 DDEDLN COCC(=O)N(C)CC(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000089487051 332070704 /nfs/dbraw/zinc/07/07/04/332070704.db2.gz PZYTZKMHJMDKBV-UHFFFAOYSA-N 0 2 321.312 1.304 20 30 DDEDLN Cc1cc(C(O)=C(C#N)C(=O)NC(C)C)c(C)n1[C@H]1CCOC1 ZINC000528917298 340739088 /nfs/dbraw/zinc/73/90/88/340739088.db2.gz HGFBVGPTZAWXMA-ZFWWWQNUSA-N 0 2 317.389 1.913 20 30 DDEDLN C=CC1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000347782288 526957997 /nfs/dbraw/zinc/95/79/97/526957997.db2.gz JJGUAHSCKGTOKV-UHFFFAOYSA-N 0 2 322.434 1.621 20 30 DDEDLN Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)[O-])CC2)c(C#N)c1C ZINC000740274177 596921219 /nfs/dbraw/zinc/92/12/19/596921219.db2.gz KEPALHGZEPDPBS-JTQLQIEISA-N 0 2 319.361 1.892 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000738460559 602684972 /nfs/dbraw/zinc/68/49/72/602684972.db2.gz KQRNVNKFCVPPTO-ZDUSSCGKSA-N 0 2 317.345 1.821 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)c(NC(=O)[O-])c1 ZINC000738460559 602684974 /nfs/dbraw/zinc/68/49/74/602684974.db2.gz KQRNVNKFCVPPTO-ZDUSSCGKSA-N 0 2 317.345 1.821 20 30 DDEDLN C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823721848 603799450 /nfs/dbraw/zinc/79/94/50/603799450.db2.gz AHZAZNGUASLUNP-WCQYABFASA-N 0 2 316.361 1.569 20 30 DDEDLN C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823721848 603799453 /nfs/dbraw/zinc/79/94/53/603799453.db2.gz AHZAZNGUASLUNP-WCQYABFASA-N 0 2 316.361 1.569 20 30 DDEDLN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCN(C)C(=O)[O-] ZINC000833792071 605526492 /nfs/dbraw/zinc/52/64/92/605526492.db2.gz YUQKSQMPQJQPRD-NSHDSACASA-N 0 2 304.350 1.427 20 30 DDEDLN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCN(C)C(=O)[O-] ZINC000833792071 605526497 /nfs/dbraw/zinc/52/64/97/605526497.db2.gz YUQKSQMPQJQPRD-NSHDSACASA-N 0 2 304.350 1.427 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCCNC(=O)C(C)(C)C ZINC000123184450 696729596 /nfs/dbraw/zinc/72/95/96/696729596.db2.gz VCZCSZVGNJGNPZ-LLVKDONJSA-N 0 2 318.377 1.254 20 30 DDEDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC000747406224 700068430 /nfs/dbraw/zinc/06/84/30/700068430.db2.gz ASXPLCPDTIYKPE-UHFFFAOYSA-N 0 2 321.318 1.424 20 30 DDEDLN CCn1c(=O)c2ccc(C(=O)NC[C@H](C)C#N)cc2[nH]c1=S ZINC000171846858 697362613 /nfs/dbraw/zinc/36/26/13/697362613.db2.gz WGBAGGQQHCEXPT-SECBINFHSA-N 0 2 316.386 1.595 20 30 DDEDLN Cn1c(=O)c2ccc(C(=O)OCCCC#N)cc2[nH]c1=S ZINC000180127748 697445045 /nfs/dbraw/zinc/44/50/45/697445045.db2.gz FNWCIQIEZNFWBK-UHFFFAOYSA-N 0 2 303.343 1.683 20 30 DDEDLN Cc1csc([C@@H](C#N)C(=O)CCN2CCCS2(=O)=O)n1 ZINC000194164999 697695529 /nfs/dbraw/zinc/69/55/29/697695529.db2.gz JBKSXBNHMBYNON-JTQLQIEISA-N 0 2 313.404 1.053 20 30 DDEDLN CCc1nc(C)c(C(C)=NNc2nc3[nH]ncc3c(=O)[nH]2)s1 ZINC000735229803 699686059 /nfs/dbraw/zinc/68/60/59/699686059.db2.gz RPMAMXQJLZWIFV-UHFFFAOYSA-N 0 2 317.378 1.595 20 30 DDEDLN C#C[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000794059067 699793346 /nfs/dbraw/zinc/79/33/46/699793346.db2.gz BRVKXJWYCWDISI-QWRGUYRKSA-N 0 2 321.789 1.687 20 30 DDEDLN C[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1cccc(C#N)c1 ZINC000743776630 699926696 /nfs/dbraw/zinc/92/66/96/699926696.db2.gz CTBCGAMKWAUIEZ-KCJUWKMLSA-N 0 2 302.359 1.292 20 30 DDEDLN C#CC[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccccc1 ZINC000757620740 700666382 /nfs/dbraw/zinc/66/63/82/700666382.db2.gz DABIOZUUNIRMNH-RYUDHWBXSA-N 0 2 301.371 1.424 20 30 DDEDLN CC(=NNC1=NC(=O)C(=O)N1)c1ccc(Cl)c(Cl)c1O ZINC000765583570 701019568 /nfs/dbraw/zinc/01/95/68/701019568.db2.gz HTUPIEWRQXZYBL-UHFFFAOYSA-N 0 2 315.116 1.025 20 30 DDEDLN Cc1noc(C)c1[C@@H](C)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770863025 701298093 /nfs/dbraw/zinc/29/80/93/701298093.db2.gz PTJSKRGWXCBXPG-KCJUWKMLSA-N 0 2 300.318 1.720 20 30 DDEDLN C=C(Cl)CNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000771376026 701317431 /nfs/dbraw/zinc/31/74/31/701317431.db2.gz IOZWWGPTBJKDAF-UHFFFAOYSA-N 0 2 321.768 1.935 20 30 DDEDLN CCc1ccc([C@@H](C#N)NC(=O)C[C@H]2SC(=N)NC2=O)cc1 ZINC000813676598 702396362 /nfs/dbraw/zinc/39/63/62/702396362.db2.gz OXEQYNDROJSJRG-VXGBXAGGSA-N 0 2 316.386 1.486 20 30 DDEDLN C[C@@H]1CCCc2[nH+]cc(C([O-])=C(C#N)C(=O)c3nccn3C)n21 ZINC000845491620 703163855 /nfs/dbraw/zinc/16/38/55/703163855.db2.gz PBMZXXGTZSIGNV-GHMZBOCLSA-N 0 2 311.345 1.719 20 30 DDEDLN C#CC[C@H](COC)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000863801145 706016802 /nfs/dbraw/zinc/01/68/02/706016802.db2.gz VYMOSGFGDIQQRZ-GFCCVEGCSA-N 0 2 317.320 1.485 20 30 DDEDLN C=CCCC[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(=O)[O-] ZINC000910927225 710122570 /nfs/dbraw/zinc/12/25/70/710122570.db2.gz YAVLDNYOAHPJGJ-FZMZJTMJSA-N 0 2 320.393 1.716 20 30 DDEDLN C=CCCC[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(=O)[O-] ZINC000910927225 710122574 /nfs/dbraw/zinc/12/25/74/710122574.db2.gz YAVLDNYOAHPJGJ-FZMZJTMJSA-N 0 2 320.393 1.716 20 30 DDEDLN CC[C@@H](C[NH+]1CCOCC1)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000905002960 711908753 /nfs/dbraw/zinc/90/87/53/711908753.db2.gz NAOMWLCUVGKUKA-RKPNYOAGSA-N 0 2 307.350 1.830 20 30 DDEDLN CC[C@@H](C#N)NS(=O)(=O)N=[S@](C)(=O)c1ccccc1 ZINC000906059880 712233682 /nfs/dbraw/zinc/23/36/82/712233682.db2.gz BQWRYYPFDJULGZ-XTZNXHDOSA-N 0 2 301.393 1.280 20 30 DDEDLN CC[C@@H](C#N)NS(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000906060434 712233917 /nfs/dbraw/zinc/23/39/17/712233917.db2.gz JECQSEDATDMWND-XTZNXHDOSA-N 0 2 307.441 1.553 20 30 DDEDLN O=C(CCC(=O)C1=CC=C[CH]1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC001184246409 744000689 /nfs/dbraw/zinc/00/06/89/744000689.db2.gz SLHNVAJGJSWMPH-OAHLLOKOSA-N 0 2 310.377 1.826 20 30 DDEDLN N#Cc1cccnc1NC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001110375227 744347228 /nfs/dbraw/zinc/34/72/28/744347228.db2.gz ALXUAHLQSGQHRG-VIFPVBQESA-N 0 2 316.258 1.914 20 30 DDEDLN N#Cc1cccnc1NC1(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001110375227 744347230 /nfs/dbraw/zinc/34/72/30/744347230.db2.gz ALXUAHLQSGQHRG-VIFPVBQESA-N 0 2 316.258 1.914 20 30 DDEDLN COC(=O)n1ncc(C#N)c1NC(=O)c1ccc(O)c(F)c1F ZINC001192841637 745913433 /nfs/dbraw/zinc/91/34/33/745913433.db2.gz AIIPERBNDLRGPE-UHFFFAOYSA-N 0 2 322.227 1.605 20 30 DDEDLN C=C[C@@H]1C[C@]1(NC(=O)c1ccc(O)c(F)c1F)C(=O)OCC ZINC001192842201 745913499 /nfs/dbraw/zinc/91/34/99/745913499.db2.gz FYLCJNSHDHXZHL-ANRSDYALSA-N 0 2 311.284 1.908 20 30 DDEDLN Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)[C@@H](C)C#N ZINC001193158927 746001986 /nfs/dbraw/zinc/00/19/86/746001986.db2.gz WMGGMORSYYXUJS-VIFPVBQESA-N 0 2 302.377 1.052 20 30 DDEDLN Cc1nc(C#N)cnc1NS(=O)(=O)Cc1c(F)cccc1F ZINC001197566417 747202546 /nfs/dbraw/zinc/20/25/46/747202546.db2.gz GUYZSARYKCCJTF-UHFFFAOYSA-N 0 2 324.312 1.877 20 30 DDEDLN N#Cc1ccc(NC/C=C/CNC(=O)C(F)C(F)(F)F)nn1 ZINC001107562395 750140137 /nfs/dbraw/zinc/14/01/37/750140137.db2.gz WYTQTGMRQWHUMG-TXXBHVLJSA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1ccc(NC/C=C/CNC(=O)[C@@H](F)C(F)(F)F)nn1 ZINC001107562395 750140145 /nfs/dbraw/zinc/14/01/45/750140145.db2.gz WYTQTGMRQWHUMG-TXXBHVLJSA-N 0 2 317.246 1.333 20 30 DDEDLN C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001110933868 750240637 /nfs/dbraw/zinc/24/06/37/750240637.db2.gz SYMZYQUNEPITOM-LPWJVIDDSA-N 0 2 319.409 1.334 20 30 DDEDLN C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001110933868 750240643 /nfs/dbraw/zinc/24/06/43/750240643.db2.gz SYMZYQUNEPITOM-LPWJVIDDSA-N 0 2 319.409 1.334 20 30 DDEDLN CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001080419922 755908463 /nfs/dbraw/zinc/90/84/63/755908463.db2.gz JXSCLGFJOLTBOY-VXNVDRBHSA-N 0 2 309.263 1.106 20 30 DDEDLN CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001080419922 755908466 /nfs/dbraw/zinc/90/84/66/755908466.db2.gz JXSCLGFJOLTBOY-VXNVDRBHSA-N 0 2 309.263 1.106 20 30 DDEDLN Cc1nc(Cl)c(C#N)c(NCCNC(=O)C(F)(F)F)n1 ZINC001164237959 756226182 /nfs/dbraw/zinc/22/61/82/756226182.db2.gz KONOTBSBRWGNPC-UHFFFAOYSA-N 0 2 307.663 1.401 20 30 DDEDLN C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)C(F)C(F)(F)F ZINC001109274357 763536982 /nfs/dbraw/zinc/53/69/82/763536982.db2.gz DJOVOONSAQRGQM-KWQFWETISA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)[C@H](F)C(F)(F)F ZINC001109274357 763536988 /nfs/dbraw/zinc/53/69/88/763536988.db2.gz DJOVOONSAQRGQM-KWQFWETISA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001098327621 764303869 /nfs/dbraw/zinc/30/38/69/764303869.db2.gz MFHCBTRNTLOJMS-XCBNKYQSSA-N 0 2 304.247 1.192 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001098327621 764303874 /nfs/dbraw/zinc/30/38/74/764303874.db2.gz MFHCBTRNTLOJMS-XCBNKYQSSA-N 0 2 304.247 1.192 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccncc1C#N ZINC001113934851 766426027 /nfs/dbraw/zinc/42/60/27/766426027.db2.gz RPTOFNWFSYAJTQ-KWQFWETISA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1ccncc1C#N ZINC001113934851 766426033 /nfs/dbraw/zinc/42/60/33/766426033.db2.gz RPTOFNWFSYAJTQ-KWQFWETISA-N 0 2 318.274 1.795 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132217831 768690098 /nfs/dbraw/zinc/69/00/98/768690098.db2.gz HNNZSSDTPDBVFY-QWRGUYRKSA-N 0 2 307.398 1.192 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132217831 768690100 /nfs/dbraw/zinc/69/01/00/768690100.db2.gz HNNZSSDTPDBVFY-QWRGUYRKSA-N 0 2 307.398 1.192 20 30 DDEDLN N#Cc1cnc(NCCCNC(=O)C(F)C(F)(F)F)cn1 ZINC001094846026 776467884 /nfs/dbraw/zinc/46/78/84/776467884.db2.gz KHWAONRNCLIQTL-VIFPVBQESA-N 0 2 305.235 1.167 20 30 DDEDLN N#Cc1cnc(NCCCNC(=O)[C@H](F)C(F)(F)F)cn1 ZINC001094846026 776467889 /nfs/dbraw/zinc/46/78/89/776467889.db2.gz KHWAONRNCLIQTL-VIFPVBQESA-N 0 2 305.235 1.167 20 30 DDEDLN O=C(CC(F)(F)F)NC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001410735298 849699920 /nfs/dbraw/zinc/69/99/20/849699920.db2.gz PBFRZYVCCVURNA-ZCFIWIBFSA-N 0 2 324.196 1.604 20 30 DDEDLN O=C(CC(F)(F)F)NC1(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001410735298 849699923 /nfs/dbraw/zinc/69/99/23/849699923.db2.gz PBFRZYVCCVURNA-ZCFIWIBFSA-N 0 2 324.196 1.604 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N(C)CCOC ZINC001340331376 871040440 /nfs/dbraw/zinc/04/04/40/871040440.db2.gz KKIJCAGBFGZTFK-UHFFFAOYSA-N 0 2 306.370 1.136 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccccc1[N+](=O)[O-] ZINC001307200654 871408704 /nfs/dbraw/zinc/40/87/04/871408704.db2.gz HZFVYYPDYCDAJC-MRVPVSSYSA-N 0 2 315.289 1.027 20 30 DDEDLN C#CCCCC(=O)N1CC[C@H](NC(=O)C(F)C(F)(F)F)[C@H]1C ZINC001345402027 873390713 /nfs/dbraw/zinc/39/07/13/873390713.db2.gz SKKDRGNHYSPPRT-JFGNBEQYSA-N 0 2 322.302 1.796 20 30 DDEDLN C#CCCCC(=O)N1CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)[C@H]1C ZINC001345402027 873390725 /nfs/dbraw/zinc/39/07/25/873390725.db2.gz SKKDRGNHYSPPRT-JFGNBEQYSA-N 0 2 322.302 1.796 20 30 DDEDLN C#C[C@@H](C)N(C)c1nnc(-c2n[nH]c(Cl)n2)n1CC1CC1 ZINC001346666918 873842258 /nfs/dbraw/zinc/84/22/58/873842258.db2.gz XQBPAHZKFHJANM-MRVPVSSYSA-N 0 2 305.773 1.585 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001276602216 874545897 /nfs/dbraw/zinc/54/58/97/874545897.db2.gz XEIGBFKNYQNQRW-NSHDSACASA-N 0 2 321.425 1.439 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001276602216 874545905 /nfs/dbraw/zinc/54/59/05/874545905.db2.gz XEIGBFKNYQNQRW-NSHDSACASA-N 0 2 321.425 1.439 20 30 DDEDLN COc1ccc(OC)c(/C(=N/O)OC(=O)CCC[C@H](C)O)c1 ZINC001223892927 881136214 /nfs/dbraw/zinc/13/62/14/881136214.db2.gz NVPCELUVTIWGPH-GLTXTHCDSA-N 0 2 311.334 1.934 20 30 DDEDLN CC[C@H](C)[N@H+](CC(=O)OC)Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001363236139 885788216 /nfs/dbraw/zinc/78/82/16/885788216.db2.gz ZRXXUJLREDIFHX-JTQLQIEISA-N 0 2 317.349 1.080 20 30 DDEDLN CC[C@H](C)[N@@H+](CC(=O)OC)Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001363236139 885788230 /nfs/dbraw/zinc/78/82/30/885788230.db2.gz ZRXXUJLREDIFHX-JTQLQIEISA-N 0 2 317.349 1.080 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H]1CC2CCC1CC2 ZINC001363744858 887124073 /nfs/dbraw/zinc/12/40/73/887124073.db2.gz OYDSYXHEYOVTJU-YYJSSNLHSA-N 0 2 302.378 1.572 20 30 DDEDLN CN1[C@@H]2C[C@@H](Oc3cc(O)cc4occc(=O)c34)C[C@H]1[C@@H]1O[C@@H]12 ZINC001233835314 887371930 /nfs/dbraw/zinc/37/19/30/887371930.db2.gz XBBFKYRYEICVGW-IXDOLIHFSA-N 0 2 315.325 1.490 20 30 DDEDLN CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001364344347 888425534 /nfs/dbraw/zinc/42/55/34/888425534.db2.gz HMEWNGSBOXTPHS-CQSZACIVSA-N 0 2 315.377 1.553 20 30 DDEDLN CC(C)C[C@@H]1COCC[N@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001364344347 888425540 /nfs/dbraw/zinc/42/55/40/888425540.db2.gz HMEWNGSBOXTPHS-CQSZACIVSA-N 0 2 315.377 1.553 20 30 DDEDLN Cc1cc2ncc(NS(=O)(=O)c3ccc(C#N)cc3)cn2n1 ZINC001258039192 898029474 /nfs/dbraw/zinc/02/94/74/898029474.db2.gz MHAYMOFDAYLXRR-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN COC(=O)c1occc1NS(=O)(=O)c1ccccc1C#N ZINC001258201616 898103520 /nfs/dbraw/zinc/10/35/20/898103520.db2.gz IWYFFMNPZDJFQS-UHFFFAOYSA-N 0 2 306.299 1.739 20 30 DDEDLN COc1nc(Cl)ncc1NS(=O)(=O)c1ccccc1C#N ZINC001258208443 898108106 /nfs/dbraw/zinc/10/81/06/898108106.db2.gz PLVJMCDBACYTDA-UHFFFAOYSA-N 0 2 324.749 1.811 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)CCc2ccc(F)cc2)CCC1=O ZINC001259758241 898784276 /nfs/dbraw/zinc/78/42/76/898784276.db2.gz IDWBOVQSZQQWMS-LBPRGKRZSA-N 0 2 310.350 1.113 20 30 DDEDLN C=CCS(=O)(=O)Nc1c(C(=O)OC)cccc1C(=O)OC ZINC001259930252 898946013 /nfs/dbraw/zinc/94/60/13/898946013.db2.gz OMVTVCGGRLGPQK-UHFFFAOYSA-N 0 2 313.331 1.188 20 30 DDEDLN Cc1nn(C)c(-n2cccn2)c1C(=O)[C@H](C#N)c1cccc(F)n1 ZINC001263381547 900596314 /nfs/dbraw/zinc/59/63/14/900596314.db2.gz YQOOVAKCDRPNAG-LLVKDONJSA-N 0 2 324.319 1.938 20 30 DDEDLN CC#CCCCC(=O)N[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001284256882 908737901 /nfs/dbraw/zinc/73/79/01/908737901.db2.gz QOKUDQHAQJCHEK-MWLCHTKSSA-N 0 2 310.291 1.701 20 30 DDEDLN CC#CCCCC(=O)N[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001284256882 908737912 /nfs/dbraw/zinc/73/79/12/908737912.db2.gz QOKUDQHAQJCHEK-MWLCHTKSSA-N 0 2 310.291 1.701 20 30 DDEDLN C=CCCC(=O)N1CC([C@H](C)NC(=O)C(F)C(F)(F)F)C1 ZINC001286198369 911816872 /nfs/dbraw/zinc/81/68/72/911816872.db2.gz DMCKPAADZUVZFR-KWQFWETISA-N 0 2 310.291 1.816 20 30 DDEDLN C=CCCC(=O)N1CC([C@H](C)NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001286198369 911816878 /nfs/dbraw/zinc/81/68/78/911816878.db2.gz DMCKPAADZUVZFR-KWQFWETISA-N 0 2 310.291 1.816 20 30 DDEDLN CC[C@@H](CS(=O)(=O)Nc1nc2n(c1C#N)CCS2)OC ZINC000424209924 529524919 /nfs/dbraw/zinc/52/49/19/529524919.db2.gz CCJINXBDAQUNHO-QMMMGPOBSA-N 0 2 316.408 1.027 20 30 DDEDLN O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000328694747 539298549 /nfs/dbraw/zinc/29/85/49/539298549.db2.gz SRRJRYWWPPTTIR-BONVTDFDSA-N 0 2 300.318 1.707 20 30 DDEDLN O=C(NCc1cn2c([nH+]1)CCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000328788159 539298965 /nfs/dbraw/zinc/29/89/65/539298965.db2.gz PGHGJEMLAJEQGM-UHFFFAOYSA-N 0 2 317.437 1.850 20 30 DDEDLN N#Cc1cccc(C=CC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000492345713 234454587 /nfs/dbraw/zinc/45/45/87/234454587.db2.gz YADMNNOBQOMLKK-PLNGDYQASA-N 0 2 323.356 1.801 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N2CCC[C@](C)(C#N)C2)c1 ZINC000591777868 355383211 /nfs/dbraw/zinc/38/32/11/355383211.db2.gz KUGVTQOZEWSIEK-OPAMFIHVSA-N 0 2 320.414 1.955 20 30 DDEDLN CO[C@H](CS(=O)(=O)Nc1cc(C)n(CCC#N)n1)C(C)C ZINC000592353823 355564760 /nfs/dbraw/zinc/56/47/60/355564760.db2.gz YMFIPIDHHBMGPT-GFCCVEGCSA-N 0 2 314.411 1.518 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)s1 ZINC000592796525 355695769 /nfs/dbraw/zinc/69/57/69/355695769.db2.gz ZKPKUJKKGBFNMA-UHFFFAOYSA-N 0 2 303.347 1.463 20 30 DDEDLN Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000593894184 356045853 /nfs/dbraw/zinc/04/58/53/356045853.db2.gz XOUMAMYIQODPHW-UHFFFAOYSA-N 0 2 323.360 1.558 20 30 DDEDLN N#CCCCC[C@@H](N)C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000594468509 356227767 /nfs/dbraw/zinc/22/77/67/356227767.db2.gz NRCGKCVMJURAOL-LLVKDONJSA-N 0 2 316.390 1.372 20 30 DDEDLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H](C#N)CO)=N2)cc1 ZINC000597741710 357312479 /nfs/dbraw/zinc/31/24/79/357312479.db2.gz PPOHZQYBANLDBC-LBPRGKRZSA-N 0 2 314.345 1.316 20 30 DDEDLN COc1ccc([C@@H]2C[C@H]2C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000598660601 357675248 /nfs/dbraw/zinc/67/52/48/357675248.db2.gz ALRLQMSLWSMCFH-NWDGAFQWSA-N 0 2 307.313 1.904 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccccc2C#N)c(OC)n1 ZINC000604471179 359754337 /nfs/dbraw/zinc/75/43/37/359754337.db2.gz AKMSAOSYFDTPPX-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN N#Cc1ccc2c(c1)CC[C@H]2NC(=O)CSc1n[nH]c(=O)[nH]1 ZINC000618890113 363784400 /nfs/dbraw/zinc/78/44/00/363784400.db2.gz BHWDCGBDAVGXBP-LLVKDONJSA-N 0 2 315.358 1.278 20 30 DDEDLN Cc1[nH]nc(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c1C#N ZINC000288248458 220043600 /nfs/dbraw/zinc/04/36/00/220043600.db2.gz UGOAIIJFQZNEOE-QMMMGPOBSA-N 0 2 317.271 1.231 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2ncccc2C)cc1C#N ZINC000104926635 194053631 /nfs/dbraw/zinc/05/36/31/194053631.db2.gz HUIAIVLMXJSFAR-UHFFFAOYSA-N 0 2 314.370 1.602 20 30 DDEDLN COCCn1cc(NS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC000048441155 407098669 /nfs/dbraw/zinc/09/86/69/407098669.db2.gz GCTFTTHPAKFRPB-UHFFFAOYSA-N 0 2 306.347 1.202 20 30 DDEDLN Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000126770590 407421107 /nfs/dbraw/zinc/42/11/07/407421107.db2.gz VAJHTVQEZCFNMR-UHFFFAOYSA-N 0 2 304.331 1.928 20 30 DDEDLN Cc1nc(NS(=O)(=O)c2ccc(C#N)nc2)cc(C2CC2)n1 ZINC000127486024 407438075 /nfs/dbraw/zinc/43/80/75/407438075.db2.gz RXKNJMWUAILARK-UHFFFAOYSA-N 0 2 315.358 1.730 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)c(C)c1 ZINC000117740877 407853176 /nfs/dbraw/zinc/85/31/76/407853176.db2.gz BBFYMXVXKOGINC-UHFFFAOYSA-N 0 2 320.374 1.915 20 30 DDEDLN COC(=O)[C@H]1CCC[C@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)C1 ZINC000175191834 408073439 /nfs/dbraw/zinc/07/34/39/408073439.db2.gz XWIPSDXCDIZXDF-IUCAKERBSA-N 0 2 301.306 1.071 20 30 DDEDLN Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)ccc1-n1cncn1 ZINC000175296276 408100061 /nfs/dbraw/zinc/10/00/61/408100061.db2.gz SQUYFLOHDKLWPS-UHFFFAOYSA-N 0 2 318.300 1.294 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCO[C@H](C)[C@H]2C)cc1C#N ZINC000150907038 408225004 /nfs/dbraw/zinc/22/50/04/408225004.db2.gz IWDNTHKNSIPGJR-RKDXNWHRSA-N 0 2 307.375 1.218 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1nnc(C2CC2)o1 ZINC000194729602 408794178 /nfs/dbraw/zinc/79/41/78/408794178.db2.gz CDUMHKZSUCXJHP-UHFFFAOYSA-N 0 2 320.330 1.628 20 30 DDEDLN C#CCONC(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1 ZINC000291243665 408862475 /nfs/dbraw/zinc/86/24/75/408862475.db2.gz LLJOAFFFAIIGJU-GFCCVEGCSA-N 0 2 306.387 1.736 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2noc(C3CC3)n2)cc1F ZINC000291843859 408932533 /nfs/dbraw/zinc/93/25/33/408932533.db2.gz HQWLBAZJXWQBKZ-UHFFFAOYSA-N 0 2 308.294 1.759 20 30 DDEDLN C[Si](C)(C)c1ccc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000290224021 409326935 /nfs/dbraw/zinc/32/69/35/409326935.db2.gz WXJGXILQHVWTFE-UHFFFAOYSA-N 0 2 323.432 1.879 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000315233803 164018479 /nfs/dbraw/zinc/01/84/79/164018479.db2.gz CKVJHYJNFGCYJS-UHFFFAOYSA-N 0 2 304.287 1.662 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2ccncc2)cc1C#N ZINC000349806200 409907923 /nfs/dbraw/zinc/90/79/23/409907923.db2.gz KDGJEPADHVAXLJ-UHFFFAOYSA-N 0 2 300.343 1.706 20 30 DDEDLN C=CCOc1cc(OC)ccc1C(=O)N=c1[nH][nH]c(C)c1C#N ZINC000357252637 409953714 /nfs/dbraw/zinc/95/37/14/409953714.db2.gz FVWOROBQAWRUFI-UHFFFAOYSA-N 0 2 312.329 2.416 20 30 DDEDLN COc1nn(C)cc1NS(=O)(=O)c1ccc(C#N)cc1OC ZINC000352317225 410620180 /nfs/dbraw/zinc/62/01/80/410620180.db2.gz DVNPJLGPVZGWFU-UHFFFAOYSA-N 0 2 322.346 1.110 20 30 DDEDLN COc1ncccc1NS(=O)(=O)c1ccccc1CC#N ZINC000355872250 410711927 /nfs/dbraw/zinc/71/19/27/410711927.db2.gz WTAANJBDGLJOSX-UHFFFAOYSA-N 0 2 303.343 1.957 20 30 DDEDLN CN(C)C(=O)c1cccc(C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)c1 ZINC000359714795 410831192 /nfs/dbraw/zinc/83/11/92/410831192.db2.gz IBXOMNZKOIUASS-UHFFFAOYSA-N 0 2 323.356 2.113 20 30 DDEDLN CC[C@H](C(=O)N=c1[nH][nH]c(C)c1C#N)N(C)Cc1ccccc1 ZINC000356158752 410868485 /nfs/dbraw/zinc/86/84/85/410868485.db2.gz AXXQGQFRMRDXQZ-OAHLLOKOSA-N 0 2 311.389 2.439 20 30 DDEDLN COc1cc(CNC(=O)N=c2ccc(C3CC3)n[nH]2)ccc1C#N ZINC000353292133 410905864 /nfs/dbraw/zinc/90/58/64/410905864.db2.gz DPPPRLPBMJNQFK-UHFFFAOYSA-N 0 2 323.356 2.556 20 30 DDEDLN C[C@H]1CCCC[C@H]1CC(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408489428 418805542 /nfs/dbraw/zinc/80/55/42/418805542.db2.gz SKGXVKIDWOKDAX-AAEUAGOBSA-N 0 2 321.402 1.975 20 30 DDEDLN O=C(NCC#CCO)c1cc(F)cc(Br)c1O ZINC000436697685 420354930 /nfs/dbraw/zinc/35/49/30/420354930.db2.gz KGCZEPOGZHXLEN-UHFFFAOYSA-N 0 2 302.099 1.019 20 30 DDEDLN N#Cc1ccc(C=CC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000493110994 420760082 /nfs/dbraw/zinc/76/00/82/420760082.db2.gz AXWYQDYURQPFMZ-AATRIKPKSA-N 0 2 323.356 1.801 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCC[C@@H](O)C2)cc1C#N ZINC000359400888 269815374 /nfs/dbraw/zinc/81/53/74/269815374.db2.gz DOCAKDWUBAZUIV-GXSJLCMTSA-N 0 2 321.402 1.662 20 30 DDEDLN C=C(C)[C@H](CC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1)OCC ZINC000575061423 422249468 /nfs/dbraw/zinc/24/94/68/422249468.db2.gz FMBMPIJQGVFDHW-LBPRGKRZSA-N 0 2 308.382 1.588 20 30 DDEDLN CCOC(=O)C1(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)CCC1 ZINC000356794807 266255175 /nfs/dbraw/zinc/25/51/75/266255175.db2.gz MYIDQCHHWBBKQL-UHFFFAOYSA-N 0 2 301.306 1.215 20 30 DDEDLN CC(C)C[C@H]1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC(=O)N1 ZINC000350006199 279223406 /nfs/dbraw/zinc/22/34/06/279223406.db2.gz IJNWAKFSLXQPHL-ZJUUUORDSA-N 0 2 314.349 1.032 20 30 DDEDLN N#CCc1ccnc(NC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)c1 ZINC000531928513 334295304 /nfs/dbraw/zinc/29/53/04/334295304.db2.gz DSDVTYSVOFEUKL-UHFFFAOYSA-N 0 2 321.296 1.743 20 30 DDEDLN Cc1c(C#N)cccc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000412325289 533717102 /nfs/dbraw/zinc/71/71/02/533717102.db2.gz UMRRQDSMKFKQKM-LBPRGKRZSA-N 0 2 311.345 1.710 20 30 DDEDLN CCCCc1cnc(NS(=O)(=O)c2ccc(C#N)nc2)nc1 ZINC000451099547 529033447 /nfs/dbraw/zinc/03/34/47/529033447.db2.gz MDONZFRSMIVZFZ-UHFFFAOYSA-N 0 2 317.374 1.887 20 30 DDEDLN C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000736095408 599860886 /nfs/dbraw/zinc/86/08/86/599860886.db2.gz UXXZEYNWHHXSPW-MRXNPFEDSA-N 0 2 320.389 1.835 20 30 DDEDLN CN(CCCNc1[nH+]cnc2c1cnn2CCC#N)C(=O)[O-] ZINC000739685095 602483327 /nfs/dbraw/zinc/48/33/27/602483327.db2.gz RKAUQDCXQNRQNI-UHFFFAOYSA-N 0 2 303.326 1.152 20 30 DDEDLN C=CC[N@@H+](Cc1ccc(OC)cc1)CN1C[C@@H](C(=O)[O-])CC1=O ZINC000833374573 605170656 /nfs/dbraw/zinc/17/06/56/605170656.db2.gz RFBGYGCLCMPGMW-AWEZNQCLSA-N 0 2 318.373 1.574 20 30 DDEDLN C=CC[N@H+](Cc1ccc(OC)cc1)CN1C[C@@H](C(=O)[O-])CC1=O ZINC000833374573 605170659 /nfs/dbraw/zinc/17/06/59/605170659.db2.gz RFBGYGCLCMPGMW-AWEZNQCLSA-N 0 2 318.373 1.574 20 30 DDEDLN Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[O-])c(C#N)c1C ZINC000833934372 605524903 /nfs/dbraw/zinc/52/49/03/605524903.db2.gz IARCKVDFUKIFLF-JTQLQIEISA-N 0 2 322.365 1.637 20 30 DDEDLN Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[O-])c(C#N)c1C ZINC000833934372 605524906 /nfs/dbraw/zinc/52/49/06/605524906.db2.gz IARCKVDFUKIFLF-JTQLQIEISA-N 0 2 322.365 1.637 20 30 DDEDLN N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](NC(=O)[O-])C3)C2=O)cc1 ZINC000740316474 605911687 /nfs/dbraw/zinc/91/16/87/605911687.db2.gz YMPUYHFUYJWOLW-JSGCOSHPSA-N 0 2 314.345 1.005 20 30 DDEDLN N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](NC(=O)[O-])C3)C2=O)cc1 ZINC000740316474 605911689 /nfs/dbraw/zinc/91/16/89/605911689.db2.gz YMPUYHFUYJWOLW-JSGCOSHPSA-N 0 2 314.345 1.005 20 30 DDEDLN Cc1csc([C@@H](C#N)C(=O)CCC(=O)N2CCOCC2)n1 ZINC000041517826 696141332 /nfs/dbraw/zinc/14/13/32/696141332.db2.gz HAGJCQROCXNLQI-NSHDSACASA-N 0 2 307.375 1.267 20 30 DDEDLN C#C[C@H](OC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)C1CC1 ZINC000152292688 696896774 /nfs/dbraw/zinc/89/67/74/696896774.db2.gz YLSSSBNRPAYGNA-ZDUSSCGKSA-N 0 2 314.366 1.791 20 30 DDEDLN CCc1cc(C#N)ccc1OC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000799441284 700141437 /nfs/dbraw/zinc/14/14/37/700141437.db2.gz SWLWITZEZXGINM-UHFFFAOYSA-N 0 2 323.312 1.111 20 30 DDEDLN C#CCCCNC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000174105436 697384408 /nfs/dbraw/zinc/38/44/08/697384408.db2.gz DJFPRYRJLWZQCS-UHFFFAOYSA-N 0 2 304.375 1.539 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1COc2ccccc2C1 ZINC000178475635 697425326 /nfs/dbraw/zinc/42/53/26/697425326.db2.gz FGOXTEJLOJWBJW-STQMWFEESA-N 0 2 309.325 1.563 20 30 DDEDLN CNC(=O)C(C#N)=C([O-])c1[nH+]c(-c2cccc(OC)c2)[nH]c1C ZINC000179798117 697441868 /nfs/dbraw/zinc/44/18/68/697441868.db2.gz ZNTVWJNUEAUEHR-LBPRGKRZSA-N 0 2 312.329 1.462 20 30 DDEDLN CCn1c(=O)c2ccc(C(=O)N(C)CCC#N)cc2[nH]c1=S ZINC000247996810 698370379 /nfs/dbraw/zinc/37/03/79/698370379.db2.gz MVMFRBZFMFRRGW-UHFFFAOYSA-N 0 2 316.386 1.691 20 30 DDEDLN O=[N+]([O-])c1cc(C=NN[C@H](CO)c2ccccc2)ccc1O ZINC000788467569 699316433 /nfs/dbraw/zinc/31/64/33/699316433.db2.gz DWBNXVXKXCBUJZ-CYBMUJFWSA-N 0 2 301.302 1.958 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(C=NNC(=S)NCC2CCC2)c1 ZINC000727653064 699420434 /nfs/dbraw/zinc/42/04/34/699420434.db2.gz BXQYTAQPLFMQBR-UHFFFAOYSA-N 0 2 308.363 1.899 20 30 DDEDLN C#CCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(CC=C)c2=O ZINC000733287732 699586584 /nfs/dbraw/zinc/58/65/84/699586584.db2.gz OOIJPZPNBQQJSF-UHFFFAOYSA-N 0 2 313.382 1.624 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)CC3OCCCO3)nc21 ZINC000793160876 699736151 /nfs/dbraw/zinc/73/61/51/699736151.db2.gz UOZDTSLSJLGNOO-SNVBAGLBSA-N 0 2 300.318 1.596 20 30 DDEDLN N#Cc1ccc([C@@H]([NH2+]CC(=O)Nc2cccnc2)C(=O)[O-])cc1 ZINC000739108535 699770783 /nfs/dbraw/zinc/77/07/83/699770783.db2.gz VHNUPMHMZGFQJV-OAHLLOKOSA-N 0 2 310.313 1.307 20 30 DDEDLN C=CCOC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)C(=O)OC ZINC000794849335 699832879 /nfs/dbraw/zinc/83/28/79/699832879.db2.gz WJRYNKPDIKYMEK-AAWHYMEISA-N 0 2 308.290 1.464 20 30 DDEDLN CCN(CC#N)C(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000743892753 699930014 /nfs/dbraw/zinc/93/00/14/699930014.db2.gz CSTCAVDWDDSIAZ-UHFFFAOYSA-N 0 2 316.386 1.691 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCc1ccccc1C(N)=O ZINC000796774232 699952106 /nfs/dbraw/zinc/95/21/06/699952106.db2.gz IYPGYXGHAKZTDX-CYBMUJFWSA-N 0 2 324.340 1.043 20 30 DDEDLN O=C(NCC[S@@](=O)CC(F)(F)F)C(F)C(F)(F)F ZINC000855267687 704476074 /nfs/dbraw/zinc/47/60/74/704476074.db2.gz DPCKKKLXHWHVDQ-QSGJHWBXSA-N 0 2 303.199 1.314 20 30 DDEDLN O=C(NCC[S@@](=O)CC(F)(F)F)[C@H](F)C(F)(F)F ZINC000855267687 704476075 /nfs/dbraw/zinc/47/60/75/704476075.db2.gz DPCKKKLXHWHVDQ-QSGJHWBXSA-N 0 2 303.199 1.314 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1ccc(OCC#N)cc1 ZINC000770862312 701298074 /nfs/dbraw/zinc/29/80/74/701298074.db2.gz LUSHWEGLJTVEFW-AWEZNQCLSA-N 0 2 322.324 1.457 20 30 DDEDLN Cc1cc(C)n([C@@H](C)CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)n1 ZINC000770875566 701298768 /nfs/dbraw/zinc/29/87/68/701298768.db2.gz BYNBAKCTQRWPTM-STQMWFEESA-N 0 2 313.361 1.776 20 30 DDEDLN N#CC(C(=O)[C@H]1CCCN(C(N)=O)C1)c1nc(C2CC2)cs1 ZINC000842938473 702792552 /nfs/dbraw/zinc/79/25/52/702792552.db2.gz JWMRGASAXFJPGJ-QWRGUYRKSA-N 0 2 318.402 1.987 20 30 DDEDLN N#C[C@@H](C(=O)[C@H]1CCCN(C(N)=O)C1)c1nc(C2CC2)cs1 ZINC000842938473 702792555 /nfs/dbraw/zinc/79/25/55/702792555.db2.gz JWMRGASAXFJPGJ-QWRGUYRKSA-N 0 2 318.402 1.987 20 30 DDEDLN CO[C@H](C(=O)OC(C)(C)C)C(=O)C(C#N)c1nc(C)cs1 ZINC000870116693 703919137 /nfs/dbraw/zinc/91/91/37/703919137.db2.gz HNBVGMURTOHBOQ-KOLCDFICSA-N 0 2 310.375 1.985 20 30 DDEDLN Cn1ccnc1C(=O)C(C#N)=C([O-])c1c[nH+]c2n1CCCCC2 ZINC000857012994 704547166 /nfs/dbraw/zinc/54/71/66/704547166.db2.gz ATOPAWAOYNWCEM-NSHDSACASA-N 0 2 311.345 1.548 20 30 DDEDLN C=CCOC[C@H](NC(=O)[C@H](CC(C)C)n1cc[nH+]c1)C(=O)[O-] ZINC000909770048 709610221 /nfs/dbraw/zinc/61/02/21/709610221.db2.gz DQTVAYTZCVQPLF-STQMWFEESA-N 0 2 309.366 1.242 20 30 DDEDLN C=C(Cl)C[C@H]([NH3+])C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000901022604 709887243 /nfs/dbraw/zinc/88/72/43/709887243.db2.gz GEOUXTUQTBRQIC-LBPRGKRZSA-N 0 2 316.810 1.145 20 30 DDEDLN C=C[C@@](C)(O)CC(=O)Nc1nccc(Br)c1O ZINC000913025287 713146342 /nfs/dbraw/zinc/14/63/42/713146342.db2.gz LREXPBGUMXEGPR-LLVKDONJSA-N 0 2 301.140 1.815 20 30 DDEDLN C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(=O)[O-])cc1OC ZINC000902003093 710199258 /nfs/dbraw/zinc/19/92/58/710199258.db2.gz WSCFYUUGDWPYSS-CQSZACIVSA-N 0 2 321.373 1.936 20 30 DDEDLN C=CCOc1ccc(C[N@H+]2CCOC[C@H]2CC(=O)[O-])cc1OC ZINC000902003093 710199260 /nfs/dbraw/zinc/19/92/60/710199260.db2.gz WSCFYUUGDWPYSS-CQSZACIVSA-N 0 2 321.373 1.936 20 30 DDEDLN C=C(C)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000969981837 720584450 /nfs/dbraw/zinc/58/44/50/720584450.db2.gz QHGUFRVJNRPZMS-KBPBESRZSA-N 0 2 302.422 1.458 20 30 DDEDLN CN(CCN(C)c1ccc(C#N)cn1)C(=O)C(F)C(F)(F)F ZINC001105588978 742133003 /nfs/dbraw/zinc/13/30/03/742133003.db2.gz DUHRPQQFZDGFJH-NSHDSACASA-N 0 2 318.274 1.748 20 30 DDEDLN CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@H](F)C(F)(F)F ZINC001105588978 742133009 /nfs/dbraw/zinc/13/30/09/742133009.db2.gz DUHRPQQFZDGFJH-NSHDSACASA-N 0 2 318.274 1.748 20 30 DDEDLN Cc1oc(-c2cccs2)nc1Cn1c(=O)[nH]cc(C#N)c1=O ZINC001189574039 744926214 /nfs/dbraw/zinc/92/62/14/744926214.db2.gz HUQNLTRSIGCFRY-UHFFFAOYSA-N 0 2 314.326 1.482 20 30 DDEDLN N#Cc1cnc2ccnn2c1NS(=O)(=O)CC1CCCC1 ZINC001191490575 745521662 /nfs/dbraw/zinc/52/16/62/745521662.db2.gz XSLFSXCENRGMTP-UHFFFAOYSA-N 0 2 305.363 1.533 20 30 DDEDLN C=C[C@@H]1C[C@@]1(NC(=O)c1c(F)ccc(F)c1O)C(=O)OCC ZINC001192719494 745879699 /nfs/dbraw/zinc/87/96/99/745879699.db2.gz KGIUWYRJNNHMKY-GLEZIHRCSA-N 0 2 311.284 1.908 20 30 DDEDLN Cc1c(NS(=O)(=O)[C@@H](C)C#N)n(-c2ccccc2)[nH]c1=O ZINC001193195276 746007592 /nfs/dbraw/zinc/00/75/92/746007592.db2.gz YLVNINIWFWZICC-VIFPVBQESA-N 0 2 306.347 1.540 20 30 DDEDLN N#CNC(=NC(=O)c1ccc(F)c(O)c1F)c1ccncc1 ZINC001193793228 746193972 /nfs/dbraw/zinc/19/39/72/746193972.db2.gz MATSCMARZDNNKX-UHFFFAOYSA-N 0 2 302.240 1.723 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2n[nH]c(-c3ccncc3)n2)c(O)c1 ZINC001195733210 746679935 /nfs/dbraw/zinc/67/99/35/746679935.db2.gz DUFAFYJXLSDIHH-UHFFFAOYSA-N 0 2 306.285 1.696 20 30 DDEDLN C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001033095658 748245954 /nfs/dbraw/zinc/24/59/54/748245954.db2.gz CONNNYXJCZGJSS-MRXNPFEDSA-N 0 2 314.433 1.318 20 30 DDEDLN CCN(CCNc1cnc(C#N)cn1)C(=O)C(F)C(F)(F)F ZINC001106975950 748456082 /nfs/dbraw/zinc/45/60/82/748456082.db2.gz LTYFRJWVGBKAJH-JTQLQIEISA-N 0 2 319.262 1.509 20 30 DDEDLN CCN(CCNc1cnc(C#N)cn1)C(=O)[C@H](F)C(F)(F)F ZINC001106975950 748456087 /nfs/dbraw/zinc/45/60/87/748456087.db2.gz LTYFRJWVGBKAJH-JTQLQIEISA-N 0 2 319.262 1.509 20 30 DDEDLN N#Cc1cccnc1NC/C=C\CNC(=O)C(F)C(F)(F)F ZINC001107559568 750137149 /nfs/dbraw/zinc/13/71/49/750137149.db2.gz LDGJHANYUGLOKR-SYBPUXJVSA-N 0 2 316.258 1.938 20 30 DDEDLN N#Cc1cccnc1NC/C=C\CNC(=O)[C@H](F)C(F)(F)F ZINC001107559568 750137158 /nfs/dbraw/zinc/13/71/58/750137158.db2.gz LDGJHANYUGLOKR-SYBPUXJVSA-N 0 2 316.258 1.938 20 30 DDEDLN C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn[nH]c1-c1ccccn1 ZINC001032439853 750838817 /nfs/dbraw/zinc/83/88/17/750838817.db2.gz NCRBWEIDYYPXDY-KBPBESRZSA-N 0 2 323.400 1.947 20 30 DDEDLN C#CCCCC(=O)N1CC(N(CC)C(=O)C(F)C(F)(F)F)C1 ZINC001079901199 755624223 /nfs/dbraw/zinc/62/42/23/755624223.db2.gz IVBQBEXOPOZQGX-LBPRGKRZSA-N 0 2 322.302 1.750 20 30 DDEDLN C#CCCCC(=O)N1CC(N(CC)C(=O)[C@H](F)C(F)(F)F)C1 ZINC001079901199 755624225 /nfs/dbraw/zinc/62/42/25/755624225.db2.gz IVBQBEXOPOZQGX-LBPRGKRZSA-N 0 2 322.302 1.750 20 30 DDEDLN N#CCN1CCC[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001040216843 762443203 /nfs/dbraw/zinc/44/32/03/762443203.db2.gz QGEMUGCJNMFBJR-JQWIXIFHSA-N 0 2 307.291 1.725 20 30 DDEDLN N#CCN1CCC[C@]2(CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001040216843 762443205 /nfs/dbraw/zinc/44/32/05/762443205.db2.gz QGEMUGCJNMFBJR-JQWIXIFHSA-N 0 2 307.291 1.725 20 30 DDEDLN C[C@@H](CN(C)c1ccncc1C#N)NC(=O)C(F)C(F)(F)F ZINC001109274590 763536999 /nfs/dbraw/zinc/53/69/99/763536999.db2.gz GJJFRFHFKIDRKA-KWQFWETISA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CN(C)c1ccncc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001109274590 763537002 /nfs/dbraw/zinc/53/70/02/763537002.db2.gz GJJFRFHFKIDRKA-KWQFWETISA-N 0 2 318.274 1.795 20 30 DDEDLN CN(CCCNc1ccncc1C#N)C(=O)C(F)C(F)(F)F ZINC001109645861 763907408 /nfs/dbraw/zinc/90/74/08/763907408.db2.gz WYWYXILTJXRWGN-LLVKDONJSA-N 0 2 318.274 1.536 20 30 DDEDLN CN(CCCNc1ccncc1C#N)C(=O)[C@@H](F)C(F)(F)F ZINC001109645861 763907414 /nfs/dbraw/zinc/90/74/14/763907414.db2.gz WYWYXILTJXRWGN-LLVKDONJSA-N 0 2 318.274 1.536 20 30 DDEDLN C#CCCCC(=O)N1CCC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001070670651 768658291 /nfs/dbraw/zinc/65/82/91/768658291.db2.gz CUEWBSHVJVYTER-PWSUYJOCSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001070670651 768658295 /nfs/dbraw/zinc/65/82/95/768658295.db2.gz CUEWBSHVJVYTER-PWSUYJOCSA-N 0 2 322.302 1.798 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)nc1 ZINC001097106727 771626630 /nfs/dbraw/zinc/62/66/30/771626630.db2.gz WLKWFKWWOFHAGI-QXEWZRGKSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)nc1 ZINC001097106727 771626634 /nfs/dbraw/zinc/62/66/34/771626634.db2.gz WLKWFKWWOFHAGI-QXEWZRGKSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001097106815 771626981 /nfs/dbraw/zinc/62/69/81/771626981.db2.gz ZUYWMXLPXIJBCV-QXEWZRGKSA-N 0 2 316.258 1.335 20 30 DDEDLN N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001097106815 771626984 /nfs/dbraw/zinc/62/69/84/771626984.db2.gz ZUYWMXLPXIJBCV-QXEWZRGKSA-N 0 2 316.258 1.335 20 30 DDEDLN C[C@H](CCNC(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001099742679 775211200 /nfs/dbraw/zinc/21/12/00/775211200.db2.gz WWWDGNDGNZEQSS-LDYMZIIASA-N 0 2 318.274 1.582 20 30 DDEDLN C[C@H](CCNC(=O)[C@@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001099742679 775211211 /nfs/dbraw/zinc/21/12/11/775211211.db2.gz WWWDGNDGNZEQSS-LDYMZIIASA-N 0 2 318.274 1.582 20 30 DDEDLN C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001326655682 861514517 /nfs/dbraw/zinc/51/45/17/861514517.db2.gz PEBOVJIZIOWCAO-CVEARBPZSA-N 0 2 309.454 1.111 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC001412390105 854499651 /nfs/dbraw/zinc/49/96/51/854499651.db2.gz DWDYCZCRJPFZPT-UHFFFAOYSA-N 0 2 324.340 1.921 20 30 DDEDLN CN(CCCCc1ccccc1)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001339534862 870543542 /nfs/dbraw/zinc/54/35/42/870543542.db2.gz CIXVFMRXVGPBKO-UHFFFAOYSA-N 0 2 312.373 1.404 20 30 DDEDLN O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001299045517 870862712 /nfs/dbraw/zinc/86/27/12/870862712.db2.gz QYNNHYIVDOWCIC-KOLCDFICSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001299045517 870862725 /nfs/dbraw/zinc/86/27/25/870862725.db2.gz QYNNHYIVDOWCIC-KOLCDFICSA-N 0 2 306.259 1.017 20 30 DDEDLN C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1[nH]nc(C)c1[O-] ZINC001316803068 871903677 /nfs/dbraw/zinc/90/36/77/871903677.db2.gz IOIWUUOHRZBOAU-ZDUSSCGKSA-N 0 2 306.410 1.926 20 30 DDEDLN C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1[nH]nc(C)c1[O-] ZINC001316803068 871903692 /nfs/dbraw/zinc/90/36/92/871903692.db2.gz IOIWUUOHRZBOAU-ZDUSSCGKSA-N 0 2 306.410 1.926 20 30 DDEDLN CC(C)NC(=O)C(C#N)=C([O-])c1cccc(Cn2cc[nH+]c2)c1 ZINC001342052878 871973132 /nfs/dbraw/zinc/97/31/32/871973132.db2.gz JETMSIYOPRKBSQ-OAHLLOKOSA-N 0 2 310.357 1.778 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCOc2ccccc21 ZINC001344466679 873012552 /nfs/dbraw/zinc/01/25/52/873012552.db2.gz NKEWLEXJFGUQPH-STQMWFEESA-N 0 2 309.325 1.878 20 30 DDEDLN Cc1cc(C(=O)[C@H](C#N)c2nc(N)c3ccccc3n2)n(C)n1 ZINC001344555885 873036420 /nfs/dbraw/zinc/03/64/20/873036420.db2.gz DIPKCEAGUCWAGY-NSHDSACASA-N 0 2 306.329 1.744 20 30 DDEDLN C=CCN(C)c1nnc(-c2n[nH]c(Cl)n2)n1C[C@@H]1CCOC1 ZINC001345666417 873469808 /nfs/dbraw/zinc/46/98/08/873469808.db2.gz DXTZFJLIFPNEFL-VIFPVBQESA-N 0 2 323.788 1.375 20 30 DDEDLN CC(C)(C)C#CC(=O)N[C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001353613441 877449939 /nfs/dbraw/zinc/44/99/39/877449939.db2.gz APZHDFJUXHBMGF-FXPVBKGRSA-N 0 2 322.302 1.700 20 30 DDEDLN CC(C)(C)C#CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001353613441 877449953 /nfs/dbraw/zinc/44/99/53/877449953.db2.gz APZHDFJUXHBMGF-FXPVBKGRSA-N 0 2 322.302 1.700 20 30 DDEDLN CC(C)(C)[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1 ZINC001363812302 887285764 /nfs/dbraw/zinc/28/57/64/887285764.db2.gz OPHKKCVUPWUKJD-ZDUSSCGKSA-N 0 2 315.377 1.553 20 30 DDEDLN CC(C)(C)[C@@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1 ZINC001363812302 887285781 /nfs/dbraw/zinc/28/57/81/887285781.db2.gz OPHKKCVUPWUKJD-ZDUSSCGKSA-N 0 2 315.377 1.553 20 30 DDEDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(F)cc1Cl ZINC001364562653 888931746 /nfs/dbraw/zinc/93/17/46/888931746.db2.gz RRCPOGQBMKRNKV-ZETCQYMHSA-N 0 2 322.727 1.911 20 30 DDEDLN N#CCC1(CNC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC001365154498 890209561 /nfs/dbraw/zinc/20/95/61/890209561.db2.gz UCAIIFRTYZPBTQ-SNVBAGLBSA-N 0 2 304.354 1.093 20 30 DDEDLN CC[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@@H](C)O1 ZINC001365269916 890472808 /nfs/dbraw/zinc/47/28/08/890472808.db2.gz IOPWOGGMCMHMHC-ZWNOBZJWSA-N 0 2 301.350 1.306 20 30 DDEDLN CC[C@@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@@H](C)O1 ZINC001365269916 890472815 /nfs/dbraw/zinc/47/28/15/890472815.db2.gz IOPWOGGMCMHMHC-ZWNOBZJWSA-N 0 2 301.350 1.306 20 30 DDEDLN C=CCCC(=O)N[C@@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001299515725 898255245 /nfs/dbraw/zinc/25/52/45/898255245.db2.gz RMPYQFNWXQNWFU-JQWIXIFHSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)N[C@@]1(C)CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001299515725 898255264 /nfs/dbraw/zinc/25/52/64/898255264.db2.gz RMPYQFNWXQNWFU-JQWIXIFHSA-N 0 2 310.291 1.960 20 30 DDEDLN O=C(/C=C/NS(=O)(=O)c1c(F)cccc1F)C(F)(F)F ZINC001259071975 898450920 /nfs/dbraw/zinc/45/09/20/898450920.db2.gz YHVXGYXQUFILGK-SNAWJCMRSA-N 0 2 315.219 1.888 20 30 DDEDLN C#Cc1nc(Br)cnc1NS(=O)(=O)CC(C)C ZINC001259878821 898890421 /nfs/dbraw/zinc/89/04/21/898890421.db2.gz SWGXTMNVMNMBGB-UHFFFAOYSA-N 0 2 318.196 1.618 20 30 DDEDLN COC(=O)c1cccc(S(=O)(=O)Nc2cccc(C#N)n2)c1 ZINC001260839761 899282553 /nfs/dbraw/zinc/28/25/53/899282553.db2.gz WFMWTYSAUKYHGQ-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN O=C(C#CC1CC1)N1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001293563231 914553031 /nfs/dbraw/zinc/55/30/31/914553031.db2.gz AMGGZIFIZWWLGU-MWLCHTKSSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(C#CC1CC1)N1CC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001293563231 914553046 /nfs/dbraw/zinc/55/30/46/914553046.db2.gz AMGGZIFIZWWLGU-MWLCHTKSSA-N 0 2 306.259 1.017 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)NC(=O)c1cc(C#N)c[nH]1 ZINC001377520312 922209513 /nfs/dbraw/zinc/20/95/13/922209513.db2.gz MXSCWPACQWZXPP-RCOVLWMOSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)NC(=O)c1cc(C#N)c[nH]1 ZINC001377520312 922209528 /nfs/dbraw/zinc/20/95/28/922209528.db2.gz MXSCWPACQWZXPP-RCOVLWMOSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)C[C@H](C)N1CCO ZINC000451667532 231156987 /nfs/dbraw/zinc/15/69/87/231156987.db2.gz QYDAQMDWXCHUHW-GASCZTMLSA-N 0 2 303.406 1.324 20 30 DDEDLN N#Cc1nc(NC(=O)Cc2cccc(OC(F)F)c2)[nH]c1C#N ZINC000107345120 185477009 /nfs/dbraw/zinc/47/70/09/185477009.db2.gz LAMZYKSGCNJZMC-UHFFFAOYSA-N 0 2 317.255 1.936 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N[C@H](C#N)CC(C)C)c1 ZINC000591759371 355378680 /nfs/dbraw/zinc/37/86/80/355378680.db2.gz JZTXFQJPUGDOAZ-QKVFXAPYSA-N 0 2 308.403 1.857 20 30 DDEDLN C[C@@H](C#N)CN(C(=O)c1cccc(-c2nc(=O)o[nH]2)c1)C1CC1 ZINC000597438513 357175983 /nfs/dbraw/zinc/17/59/83/357175983.db2.gz SMJBPGCNBVIUPP-JTQLQIEISA-N 0 2 312.329 1.794 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N2CCC[C@H](CC#N)C2)c1 ZINC000597900860 357377544 /nfs/dbraw/zinc/37/75/44/357377544.db2.gz FIEISKGLVBVHGL-MCMMXHMISA-N 0 2 320.414 1.955 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@]23C[C@@H]2COC3(C)C)cc1C#N ZINC000600258774 358172660 /nfs/dbraw/zinc/17/26/60/358172660.db2.gz RLJQPWAAWUJWOH-PSLIRLAXSA-N 0 2 319.386 1.678 20 30 DDEDLN C[NH+](C)C[C@](C)(C#N)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602334397 358935492 /nfs/dbraw/zinc/93/54/92/358935492.db2.gz RFWZNAJCPJDGRT-AEFFLSMTSA-N 0 2 314.433 1.469 20 30 DDEDLN C[C@@H]1CCCC[N@H+]1CCNC([O-])=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330177493 223083026 /nfs/dbraw/zinc/08/30/26/223083026.db2.gz KTFWWRBCMULYEF-ZIAGYGMSSA-N 0 2 305.426 1.576 20 30 DDEDLN O/C(=N/Cc1cn2ccsc2n1)c1cc2n(n1)CCCO2 ZINC000330310922 223102676 /nfs/dbraw/zinc/10/26/76/223102676.db2.gz VJBMKFFPQIXRFB-UHFFFAOYSA-N 0 2 303.347 1.880 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cn4c(n3)COCC4)nc21 ZINC000626349505 367497127 /nfs/dbraw/zinc/49/71/27/367497127.db2.gz CKWZPRSTKLRDKB-SNVBAGLBSA-N 0 2 322.328 1.483 20 30 DDEDLN Cc1ccnc2[nH]c(C(C#N)=C([O-])c3cn4c([nH+]3)COCC4)nc21 ZINC000626349505 367497129 /nfs/dbraw/zinc/49/71/29/367497129.db2.gz CKWZPRSTKLRDKB-SNVBAGLBSA-N 0 2 322.328 1.483 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2cnn(C)c2C)cc1C#N ZINC000340674489 251161831 /nfs/dbraw/zinc/16/18/31/251161831.db2.gz ITQRTVXRMRDTJP-UHFFFAOYSA-N 0 2 317.374 1.353 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@@H](C)OC[C@H]2C)cc1C#N ZINC000074523538 406915030 /nfs/dbraw/zinc/91/50/30/406915030.db2.gz ARYATEFOMFZQBZ-RKDXNWHRSA-N 0 2 307.375 1.630 20 30 DDEDLN CC(=O)Nc1cccnc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000182023920 306701738 /nfs/dbraw/zinc/70/17/38/306701738.db2.gz YWJYNKYEKPKYDL-UHFFFAOYSA-N 0 2 316.342 1.712 20 30 DDEDLN C[C@@H]1CCC[C@](C#N)(NC(=O)c2c[nH]c3c(cnn3C)c2=O)C1 ZINC000179504560 407799789 /nfs/dbraw/zinc/79/97/89/407799789.db2.gz WRCSSMDUFJQJOU-HWPZZCPQSA-N 0 2 313.361 1.876 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](CCO)C(C)C)cc1C#N ZINC000133182445 407823999 /nfs/dbraw/zinc/82/39/99/407823999.db2.gz KIHHUISAQSSEGE-LLVKDONJSA-N 0 2 309.391 1.105 20 30 DDEDLN C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2ccc(C#N)nc2)cn1 ZINC000187735772 407887657 /nfs/dbraw/zinc/88/76/57/407887657.db2.gz DTHUTEOXFSVKDE-JTQLQIEISA-N 0 2 317.374 1.922 20 30 DDEDLN N#Cc1nc(NC(=O)[C@@H]2CCN(c3ccccc3F)C2)[nH]c1C#N ZINC000290247124 409336015 /nfs/dbraw/zinc/33/60/15/409336015.db2.gz ZTCIQXBBCMWJMX-SNVBAGLBSA-N 0 2 324.319 1.757 20 30 DDEDLN C[C@H]1CCC[C@H](CC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000408489352 164347767 /nfs/dbraw/zinc/34/77/67/164347767.db2.gz RSUIYUDRLJEEBY-RYUDHWBXSA-N 0 2 321.402 1.975 20 30 DDEDLN C[C@]1(C(=O)NS(=O)(=O)c2cncc(C#N)c2)CC=CCC1 ZINC000408490325 164348029 /nfs/dbraw/zinc/34/80/29/164348029.db2.gz AFOXCFUDONPOCT-AWEZNQCLSA-N 0 2 305.359 1.505 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)nn1 ZINC000354123644 409674617 /nfs/dbraw/zinc/67/46/17/409674617.db2.gz AICVGYLPCPMKMN-UHFFFAOYSA-N 0 2 324.749 1.811 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N(C)C[C@@H](C)C#N)=N2)cc1 ZINC000354425981 409849189 /nfs/dbraw/zinc/84/91/89/409849189.db2.gz RVSUWESMUQLXDW-NSHDSACASA-N 0 2 314.345 1.818 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)C[C@@H](C)O)cc1C#N ZINC000349756990 409909471 /nfs/dbraw/zinc/90/94/71/409909471.db2.gz IYYVKFYTVUNYTA-DTWKUNHWSA-N 0 2 309.391 1.518 20 30 DDEDLN N#CCc1ccc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[nH]2)cc1 ZINC000329185778 410151060 /nfs/dbraw/zinc/15/10/60/410151060.db2.gz PPADIEDKXSTIJX-ZDUSSCGKSA-N 0 2 311.345 1.944 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000357546180 410093086 /nfs/dbraw/zinc/09/30/86/410093086.db2.gz PCNUAQRKSHYFGT-UHFFFAOYSA-N 0 2 314.326 1.634 20 30 DDEDLN CSc1[n-]c(=O)c(C(=O)N[C@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000352571247 410667437 /nfs/dbraw/zinc/66/74/37/410667437.db2.gz SHZCUFMQPKLOND-SECBINFHSA-N 0 2 317.374 1.396 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCCO[C@@H](C)C2)cc1C#N ZINC000340255290 410799290 /nfs/dbraw/zinc/79/92/90/410799290.db2.gz UXZGJYUWCYAXOQ-VIFPVBQESA-N 0 2 307.375 1.632 20 30 DDEDLN O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc(F)c(F)c(O)c1F ZINC000330773394 410893801 /nfs/dbraw/zinc/89/38/01/410893801.db2.gz QHBMKZSAOYXREN-RXMQYKEDSA-N 0 2 309.265 1.301 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H](CO)C2CC2)cc1C#N ZINC000359821070 410899410 /nfs/dbraw/zinc/89/94/10/410899410.db2.gz LEUAGIYXZDTAMB-JTQLQIEISA-N 0 2 307.375 1.129 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@@H]2CCO)cc1C#N ZINC000331149368 410981416 /nfs/dbraw/zinc/98/14/16/410981416.db2.gz BHGJUDKJMLPCAN-SKDRFNHKSA-N 0 2 321.402 1.662 20 30 DDEDLN C=CC[NH+]1CCC(NC(=O)[C@@H]2COCC[N@H+]2CCCC)CC1 ZINC000376732457 418700816 /nfs/dbraw/zinc/70/08/16/418700816.db2.gz GIWIBYFTUXNPNU-INIZCTEOSA-N 0 2 309.454 1.254 20 30 DDEDLN C[C@@H]1CC(=[NH+]C([O-])=C2CCN(c3ccc(Cl)cc3)C2=O)NO1 ZINC000372326747 418856405 /nfs/dbraw/zinc/85/64/05/418856405.db2.gz RYQNGTZWUQIBGF-BXKDBHETSA-N 0 2 321.764 1.931 20 30 DDEDLN CCc1ncc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000427279745 419629130 /nfs/dbraw/zinc/62/91/30/419629130.db2.gz GFLMXMPPRLLXLR-UHFFFAOYSA-N 0 2 306.322 1.851 20 30 DDEDLN C=CC[C@@H](CO)CNC(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000428029440 419791931 /nfs/dbraw/zinc/79/19/31/419791931.db2.gz FTRIXARWAKQQHV-LLVKDONJSA-N 0 2 303.366 1.208 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cnn4cccnc34)nc21 ZINC000429566712 420028164 /nfs/dbraw/zinc/02/81/64/420028164.db2.gz KCFPSXXJQKRDBQ-SNVBAGLBSA-N 0 2 317.312 1.799 20 30 DDEDLN N#Cc1ccncc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000488337896 421083201 /nfs/dbraw/zinc/08/32/01/421083201.db2.gz KKPKXPQQRTVLHS-UHFFFAOYSA-N 0 2 306.285 1.696 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000525866522 421308972 /nfs/dbraw/zinc/30/89/72/421308972.db2.gz NYAXDEOGNLVEBP-UHFFFAOYSA-N 0 2 318.358 1.510 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000528967588 421525525 /nfs/dbraw/zinc/52/55/25/421525525.db2.gz BQMGHGQPEDWVJZ-RGNHYFCHSA-N 0 2 310.151 1.485 20 30 DDEDLN C[C@H]1CCCc2nc(S(=O)(=O)Nc3ncc(C#N)s3)cn21 ZINC000591326497 422326259 /nfs/dbraw/zinc/32/62/59/422326259.db2.gz LQAIWTRVIUJGER-QMMMGPOBSA-N 0 2 323.403 1.909 20 30 DDEDLN CC[C@](C)(CCO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000351646490 266429408 /nfs/dbraw/zinc/42/94/08/266429408.db2.gz FLHKBNFLUJHNKE-CQSZACIVSA-N 0 2 309.391 1.662 20 30 DDEDLN N#Cc1nc(NC(=O)CC2CCC3(CC2)OCCO3)[nH]c1C#N ZINC000188351444 303215941 /nfs/dbraw/zinc/21/59/41/303215941.db2.gz LBGOLWWGYWWSPN-UHFFFAOYSA-N 0 2 315.333 1.415 20 30 DDEDLN N#Cc1nc(NC(=O)c2ncccc2Br)[nH]c1C#N ZINC000195293503 303217198 /nfs/dbraw/zinc/21/71/98/303217198.db2.gz NQVKYKXNVUITLO-UHFFFAOYSA-N 0 2 317.106 1.563 20 30 DDEDLN C=CC[C@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000185731610 333370619 /nfs/dbraw/zinc/37/06/19/333370619.db2.gz MDOQRYVCSACMOT-LLVKDONJSA-N 0 2 305.309 1.384 20 30 DDEDLN N#CCCN(CC1CC1)C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000531519783 333531952 /nfs/dbraw/zinc/53/19/52/333531952.db2.gz WWNSQFWDOAXPEQ-UHFFFAOYSA-N 0 2 312.329 1.796 20 30 DDEDLN COc1cc([C@@H](C#N)NC(=O)C(C)C#N)cc(OC)c1OC ZINC000345250233 335311902 /nfs/dbraw/zinc/31/19/02/335311902.db2.gz PIKOPSPCFPRUMX-GXSJLCMTSA-N 0 2 303.318 1.553 20 30 DDEDLN COc1cc([C@@H](C#N)NC(=O)[C@@H](C)C#N)cc(OC)c1OC ZINC000345250233 335311903 /nfs/dbraw/zinc/31/19/03/335311903.db2.gz PIKOPSPCFPRUMX-GXSJLCMTSA-N 0 2 303.318 1.553 20 30 DDEDLN Cc1cc(C(O)=C(C#N)C(=O)NC2CC2)c(C)n1[C@@H]1CCOC1 ZINC000528921679 340739295 /nfs/dbraw/zinc/73/92/95/340739295.db2.gz VZOUXWNHEUXCPD-UKRRQHHQSA-N 0 2 315.373 1.667 20 30 DDEDLN CCC[C@@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)OC ZINC000452297122 528952421 /nfs/dbraw/zinc/95/24/21/528952421.db2.gz FCPGTTRKOMRTJR-JTQLQIEISA-N 0 2 309.391 1.926 20 30 DDEDLN C[C@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001120844075 782180143 /nfs/dbraw/zinc/18/01/43/782180143.db2.gz FARKNKJZHZXHJV-XCBNKYQSSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CN(C)C(=O)[C@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001120844075 782180150 /nfs/dbraw/zinc/18/01/50/782180150.db2.gz FARKNKJZHZXHJV-XCBNKYQSSA-N 0 2 319.262 1.507 20 30 DDEDLN CC(=O)NCC[N@H+](CC#Cc1cccc(Cl)c1)[C@H](C)C(=O)[O-] ZINC000819770524 597678799 /nfs/dbraw/zinc/67/87/99/597678799.db2.gz WVXMWFUMHHERSI-GFCCVEGCSA-N 0 2 322.792 1.603 20 30 DDEDLN CC(=O)NCC[N@@H+](CC#Cc1cccc(Cl)c1)[C@H](C)C(=O)[O-] ZINC000819770524 597678801 /nfs/dbraw/zinc/67/88/01/597678801.db2.gz WVXMWFUMHHERSI-GFCCVEGCSA-N 0 2 322.792 1.603 20 30 DDEDLN C[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940927 601353800 /nfs/dbraw/zinc/35/38/00/601353800.db2.gz MZBVSMMXYBXNFE-UONOGXRCSA-N 0 2 302.330 1.711 20 30 DDEDLN C[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940927 601353802 /nfs/dbraw/zinc/35/38/02/601353802.db2.gz MZBVSMMXYBXNFE-UONOGXRCSA-N 0 2 302.330 1.711 20 30 DDEDLN O=C([O-])[C@@H]1C[C@@H](O)C[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000833291451 601419100 /nfs/dbraw/zinc/41/91/00/601419100.db2.gz SNOICKJEAWOAJJ-OLZOCXBDSA-N 0 2 313.275 1.577 20 30 DDEDLN O=C([O-])[C@@H]1C[C@@H](O)C[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000833291451 601419102 /nfs/dbraw/zinc/41/91/02/601419102.db2.gz SNOICKJEAWOAJJ-OLZOCXBDSA-N 0 2 313.275 1.577 20 30 DDEDLN C[N@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCN(C(=O)[O-])C1 ZINC000828120667 603535601 /nfs/dbraw/zinc/53/56/01/603535601.db2.gz TZEYFQBHGVTZED-JTQLQIEISA-N 0 2 308.363 1.242 20 30 DDEDLN C[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCN(C(=O)[O-])C1 ZINC000828120667 603535603 /nfs/dbraw/zinc/53/56/03/603535603.db2.gz TZEYFQBHGVTZED-JTQLQIEISA-N 0 2 308.363 1.242 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2N[C@H]1CCCN(C(=O)[O-])C1 ZINC000739075868 605625629 /nfs/dbraw/zinc/62/56/29/605625629.db2.gz ORCGZPZHAUFWRI-JTQLQIEISA-N 0 2 315.337 1.294 20 30 DDEDLN C#CCC[NH+]1CCN(C(=O)c2sc(NC(=O)[O-])nc2C)CC1 ZINC000833787384 605974954 /nfs/dbraw/zinc/97/49/54/605974954.db2.gz MYMIXDNQGDEXGL-UHFFFAOYSA-N 0 2 322.390 1.323 20 30 DDEDLN Cc1nc2cc[nH]n2c(=O)c1CC(=O)OCC1(C#N)CCC1 ZINC000183852840 697495244 /nfs/dbraw/zinc/49/52/44/697495244.db2.gz QWNPJHGKTPXCTM-UHFFFAOYSA-N 0 2 300.318 1.111 20 30 DDEDLN Cc1csc(C(C#N)C(=O)CSc2ncc(CO)n2C)n1 ZINC000750005318 700198105 /nfs/dbraw/zinc/19/81/05/700198105.db2.gz NGCCLGTZUVHFQT-JTQLQIEISA-N 0 2 322.415 1.646 20 30 DDEDLN Nc1nc(Cl)cc(NN=Cc2cc([N+](=O)[O-])ccc2O)n1 ZINC000778546269 698347058 /nfs/dbraw/zinc/34/70/58/698347058.db2.gz BORSQRQMVRLURU-UHFFFAOYSA-N 0 2 308.685 1.772 20 30 DDEDLN C[C@H](C#N)Oc1ccccc1NC(=O)CC1SC(=N)NC1=O ZINC000781034124 698584777 /nfs/dbraw/zinc/58/47/77/698584777.db2.gz HIEYLGRGUHIRQY-LDYMZIIASA-N 0 2 318.358 1.472 20 30 DDEDLN C=CCCCCCN(C)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000739654321 699777371 /nfs/dbraw/zinc/77/73/71/699777371.db2.gz MLOSQUYACOLFLN-UHFFFAOYSA-N 0 2 303.366 1.276 20 30 DDEDLN COC[C@@H](C#N)OC(=O)c1nn(-c2cc(C)ccc2F)cc1O ZINC000801414458 700304980 /nfs/dbraw/zinc/30/49/80/700304980.db2.gz LCSFWPASDIJONJ-SNVBAGLBSA-N 0 2 319.292 1.721 20 30 DDEDLN N#CC(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1)c1ccncn1 ZINC000760339111 700803143 /nfs/dbraw/zinc/80/31/43/700803143.db2.gz IEMMFEAQFUWANX-ZBFHGGJFSA-N 0 2 320.352 1.958 20 30 DDEDLN N#CC(C(=O)CN1C(=O)CSc2ccccc21)c1ccncn1 ZINC000760356549 700804770 /nfs/dbraw/zinc/80/47/70/700804770.db2.gz IGJOMIXYGOZENU-NSHDSACASA-N 0 2 324.365 1.792 20 30 DDEDLN N#C[C@H](C(=O)CN1C(=O)CSc2ccccc21)c1ccncn1 ZINC000760356549 700804772 /nfs/dbraw/zinc/80/47/72/700804772.db2.gz IGJOMIXYGOZENU-NSHDSACASA-N 0 2 324.365 1.792 20 30 DDEDLN Cn1ncc(NS(=O)(=O)c2cccc(C#N)c2)c1C1CC1 ZINC000769870622 701259956 /nfs/dbraw/zinc/25/99/56/701259956.db2.gz MACGSZMWNLZQPA-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN C[C@@H](O)CN(C)N=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000841656515 702519525 /nfs/dbraw/zinc/51/95/25/702519525.db2.gz VSSOYXNMHPWNHQ-CYBMUJFWSA-N 0 2 324.856 1.738 20 30 DDEDLN N#CC(C(=O)NC1CCCCC1)=C([O-])c1c[nH+]c2n1CCC2 ZINC000850757284 703750193 /nfs/dbraw/zinc/75/01/93/703750193.db2.gz JEGOXAWOALTCMV-GFCCVEGCSA-N 0 2 300.362 1.601 20 30 DDEDLN N#Cc1cccc(O[N-]C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000870692054 704105116 /nfs/dbraw/zinc/10/51/16/704105116.db2.gz WIQICGKWBUVNMO-MRXNPFEDSA-N 0 2 315.373 1.612 20 30 DDEDLN N#Cc1cccc(O[N-]C(=O)[C@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000870692054 704105117 /nfs/dbraw/zinc/10/51/17/704105117.db2.gz WIQICGKWBUVNMO-MRXNPFEDSA-N 0 2 315.373 1.612 20 30 DDEDLN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000819736703 704166547 /nfs/dbraw/zinc/16/65/47/704166547.db2.gz NLAAACXBUJPGOF-SKDRFNHKSA-N 0 2 316.386 1.634 20 30 DDEDLN C=C1CN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CC)c3=O)C1 ZINC000898690980 708837075 /nfs/dbraw/zinc/83/70/75/708837075.db2.gz GTSPSFPZKGSNBC-UHFFFAOYSA-N 0 2 301.371 1.717 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC000923117983 714242542 /nfs/dbraw/zinc/24/25/42/714242542.db2.gz YSIRIMCJQKTLHD-HNNXBMFYSA-N 0 2 323.352 1.969 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cc2cccnc21 ZINC000923117983 714242543 /nfs/dbraw/zinc/24/25/43/714242543.db2.gz YSIRIMCJQKTLHD-HNNXBMFYSA-N 0 2 323.352 1.969 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)C(F)C(F)(F)F ZINC001104848240 737278430 /nfs/dbraw/zinc/27/84/30/737278430.db2.gz YSIZCIJRYNOYCQ-OIBJUYFYSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001104848240 737278437 /nfs/dbraw/zinc/27/84/37/737278437.db2.gz YSIZCIJRYNOYCQ-OIBJUYFYSA-N 0 2 319.262 1.507 20 30 DDEDLN C=CCC[NH+]1CC2(C1)CCN(C(=O)c1[nH]nc(C)c1[O-])CC2 ZINC001035686345 751765927 /nfs/dbraw/zinc/76/59/27/751765927.db2.gz BBPMIMZUHYZNSH-UHFFFAOYSA-N 0 2 304.394 1.538 20 30 DDEDLN N#Cc1c[nH]c(=O)n(CC(=O)c2csc3ccccc23)c1=O ZINC001189575061 744926777 /nfs/dbraw/zinc/92/67/77/744926777.db2.gz RSMAWSSTYSWEFM-UHFFFAOYSA-N 0 2 311.322 1.506 20 30 DDEDLN C#Cc1nccnc1NS(=O)(=O)Cc1ccc(F)cc1F ZINC001189782494 744980482 /nfs/dbraw/zinc/98/04/82/744980482.db2.gz RSQRZGKJFBBNAI-UHFFFAOYSA-N 0 2 309.297 1.678 20 30 DDEDLN COC(=O)C1(C#N)CCN(C(=O)c2ccc(O)c(F)c2F)CC1 ZINC001192839390 745912713 /nfs/dbraw/zinc/91/27/13/745912713.db2.gz FJJSTQUBCSZCLT-UHFFFAOYSA-N 0 2 324.283 1.589 20 30 DDEDLN COC(=O)CCCS(=O)(=O)Nc1ccc(Cl)nc1C#N ZINC001201903799 748635186 /nfs/dbraw/zinc/63/51/86/748635186.db2.gz HKUVJTYCZRXIGP-UHFFFAOYSA-N 0 2 317.754 1.302 20 30 DDEDLN C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C)c1[O-] ZINC001039357776 761961701 /nfs/dbraw/zinc/96/17/01/761961701.db2.gz MZJWOPMTMOYHQW-OLZOCXBDSA-N 0 2 304.394 1.679 20 30 DDEDLN C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C)c1[O-] ZINC001039357776 761961707 /nfs/dbraw/zinc/96/17/07/761961707.db2.gz MZJWOPMTMOYHQW-OLZOCXBDSA-N 0 2 304.394 1.679 20 30 DDEDLN N#Cc1cncc(NC/C=C\CNC(=O)C(F)C(F)(F)F)n1 ZINC001107561602 750139479 /nfs/dbraw/zinc/13/94/79/750139479.db2.gz NSIBRDXSDYDUPI-JWXWKVPASA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1cncc(NC/C=C\CNC(=O)[C@@H](F)C(F)(F)F)n1 ZINC001107561602 750139483 /nfs/dbraw/zinc/13/94/83/750139483.db2.gz NSIBRDXSDYDUPI-JWXWKVPASA-N 0 2 317.246 1.333 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001098327173 762064625 /nfs/dbraw/zinc/06/46/25/762064625.db2.gz CFYPUAJUMLVDSG-HTRCEHHLSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001098327173 762064634 /nfs/dbraw/zinc/06/46/34/762064634.db2.gz CFYPUAJUMLVDSG-HTRCEHHLSA-N 0 2 305.235 1.165 20 30 DDEDLN CC(=O)N[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001008732367 752893679 /nfs/dbraw/zinc/89/36/79/752893679.db2.gz NDKXOIACJSRNMJ-QYNIQEEDSA-N 0 2 324.196 1.412 20 30 DDEDLN CC(=O)N[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001008732367 752893687 /nfs/dbraw/zinc/89/36/87/752893687.db2.gz NDKXOIACJSRNMJ-QYNIQEEDSA-N 0 2 324.196 1.412 20 30 DDEDLN N#Cc1cnccc1N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001056804045 761444334 /nfs/dbraw/zinc/44/43/34/761444334.db2.gz MKHNYBZJNZPCPL-MWLCHTKSSA-N 0 2 316.258 1.288 20 30 DDEDLN N#Cc1cnccc1N[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001056804045 761444338 /nfs/dbraw/zinc/44/43/38/761444338.db2.gz MKHNYBZJNZPCPL-MWLCHTKSSA-N 0 2 316.258 1.288 20 30 DDEDLN C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001109772434 764022031 /nfs/dbraw/zinc/02/20/31/764022031.db2.gz MLVTYLGUVHPMCJ-FZKCQIBNSA-N 0 2 300.406 1.579 20 30 DDEDLN COC(=O)[C@H](CCC(=O)[O-])[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171181757 772522802 /nfs/dbraw/zinc/52/28/02/772522802.db2.gz PFKBCKBSCYAMGJ-RISCZKNCSA-N 0 2 304.346 1.485 20 30 DDEDLN CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@H](C#N)Cc1cccs1 ZINC001177908180 778779665 /nfs/dbraw/zinc/77/96/65/778779665.db2.gz JKATYFKWGISRQX-OZVIIMIRSA-N 0 2 318.398 1.984 20 30 DDEDLN C#CC[N@@H+](CC)[C@H](C)CNC(=O)C1([NH+]2CCOCC2)CCCC1 ZINC001155563708 862232101 /nfs/dbraw/zinc/23/21/01/862232101.db2.gz JBLHEUOSHRGSPY-MRXNPFEDSA-N 0 2 321.465 1.091 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1ncccc1C#N ZINC001095758731 855323354 /nfs/dbraw/zinc/32/33/54/855323354.db2.gz UZZVFKBVAUXQTH-SNVBAGLBSA-N 0 2 318.274 1.796 20 30 DDEDLN CN(CCCNC(=O)[C@@H](F)C(F)(F)F)c1ncccc1C#N ZINC001095758731 855323363 /nfs/dbraw/zinc/32/33/63/855323363.db2.gz UZZVFKBVAUXQTH-SNVBAGLBSA-N 0 2 318.274 1.796 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001330053021 864050944 /nfs/dbraw/zinc/05/09/44/864050944.db2.gz GIXXKGRBIYNBSY-SNVBAGLBSA-N 0 2 307.398 1.049 20 30 DDEDLN N#Cc1cnc(CNC(=O)c2c[nH]c3cccnc3c2=O)s1 ZINC001153862312 864174063 /nfs/dbraw/zinc/17/40/63/864174063.db2.gz UAEMVRVQKFEESE-UHFFFAOYSA-N 0 2 311.326 1.181 20 30 DDEDLN C#CCN(CC)c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001338407992 869965370 /nfs/dbraw/zinc/96/53/70/869965370.db2.gz WJITXKBCRZOSSB-UHFFFAOYSA-N 0 2 301.306 1.555 20 30 DDEDLN N#C[C@@H](C(=O)Cn1nnc2ccccc2c1=O)c1cccc(F)n1 ZINC001342559585 872265791 /nfs/dbraw/zinc/26/57/91/872265791.db2.gz AUZABOPUKOANEJ-LLVKDONJSA-N 0 2 323.287 1.202 20 30 DDEDLN C=CC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1)C(=O)[O-] ZINC001350769568 875881258 /nfs/dbraw/zinc/88/12/58/875881258.db2.gz SYLSHHXBWKDOMT-HUUCEWRRSA-N 0 2 317.389 1.582 20 30 DDEDLN C=CC[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1)C(=O)[O-] ZINC001350769568 875881270 /nfs/dbraw/zinc/88/12/70/875881270.db2.gz SYLSHHXBWKDOMT-HUUCEWRRSA-N 0 2 317.389 1.582 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCCO[C@H](C)C1 ZINC001356153046 878891471 /nfs/dbraw/zinc/89/14/71/878891471.db2.gz SRCSTOOPHUEIQH-SECBINFHSA-N 0 2 323.788 1.518 20 30 DDEDLN Cc1ccc(CC[C@@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)o1 ZINC001413881559 880576788 /nfs/dbraw/zinc/57/67/88/880576788.db2.gz PNCDYVSKYWTPTJ-SECBINFHSA-N 0 2 302.334 1.280 20 30 DDEDLN C=C(C)C(C)(C)C(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001228588978 883563543 /nfs/dbraw/zinc/56/35/43/883563543.db2.gz MOGAEWAJQBAKJG-UHFFFAOYSA-N 0 2 307.398 1.193 20 30 DDEDLN CCCSc1nc(O[C@H]2C=CC(=O)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792978 884166617 /nfs/dbraw/zinc/16/66/17/884166617.db2.gz VTKXYCAEQASUNQ-QMMMGPOBSA-N 0 2 311.319 1.869 20 30 DDEDLN CCCC[C@@H](CNC(=O)c1[nH]ncc1F)NC(=O)[C@H](C)C#N ZINC001383225647 885436126 /nfs/dbraw/zinc/43/61/26/885436126.db2.gz DQYZQPAREAKNPB-ZJUUUORDSA-N 0 2 309.345 1.113 20 30 DDEDLN N#CCc1cccc(NS(=O)(=O)c2cc(F)cc(C#N)c2)n1 ZINC001364206589 888143824 /nfs/dbraw/zinc/14/38/24/888143824.db2.gz XVMNAPDYRWFYMD-UHFFFAOYSA-N 0 2 316.317 1.959 20 30 DDEDLN Cc1cc(=O)c2c(O[C@@H]3CCN(CC#N)C3)cc(O)cc2o1 ZINC001234815545 888207894 /nfs/dbraw/zinc/20/78/94/888207894.db2.gz VKPMONXYQUAHJU-GFCCVEGCSA-N 0 2 300.314 1.784 20 30 DDEDLN C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1nn(C)cc1O ZINC001364398946 888546388 /nfs/dbraw/zinc/54/63/88/888546388.db2.gz SIDHUTAFEIKETP-SNVBAGLBSA-N 0 2 300.318 1.254 20 30 DDEDLN C=CCS(=O)(=O)Nc1nc(C)c(Br)c(C)n1 ZINC001259921983 898933173 /nfs/dbraw/zinc/93/31/73/898933173.db2.gz APHZGGUSXMUBDA-UHFFFAOYSA-N 0 2 306.185 1.784 20 30 DDEDLN C=C[C@@H](CC)CC(=O)NCC1=CC[N@H+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001279621337 903360862 /nfs/dbraw/zinc/36/08/62/903360862.db2.gz DZFVFWHSSXDDRU-LBPRGKRZSA-N 0 2 319.409 1.361 20 30 DDEDLN C=C[C@@H](CC)CC(=O)NCC1=CC[N@@H+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001279621337 903360871 /nfs/dbraw/zinc/36/08/71/903360871.db2.gz DZFVFWHSSXDDRU-LBPRGKRZSA-N 0 2 319.409 1.361 20 30 DDEDLN C#CCCCC(=O)NC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001283426032 907342127 /nfs/dbraw/zinc/34/21/27/907342127.db2.gz AORWHDWEVRDIDX-GFCCVEGCSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)NC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001283426032 907342144 /nfs/dbraw/zinc/34/21/44/907342144.db2.gz AORWHDWEVRDIDX-GFCCVEGCSA-N 0 2 322.302 1.798 20 30 DDEDLN C[C@]1(NC(=O)C(F)C(F)(F)F)CCN(C(=O)C#CC2CC2)C1 ZINC001286092717 911682160 /nfs/dbraw/zinc/68/21/60/911682160.db2.gz FIASQXWOGUYNLH-AAEUAGOBSA-N 0 2 320.286 1.407 20 30 DDEDLN C[C@]1(NC(=O)[C@H](F)C(F)(F)F)CCN(C(=O)C#CC2CC2)C1 ZINC001286092717 911682168 /nfs/dbraw/zinc/68/21/68/911682168.db2.gz FIASQXWOGUYNLH-AAEUAGOBSA-N 0 2 320.286 1.407 20 30 DDEDLN CCN(CCNC(=O)C#CC(C)(C)C)C(=O)C(F)C(F)(F)F ZINC001296297139 916329981 /nfs/dbraw/zinc/32/99/81/916329981.db2.gz DSLACLUOAMDNJU-LLVKDONJSA-N 0 2 324.318 1.901 20 30 DDEDLN CCN(CCNC(=O)C#CC(C)(C)C)C(=O)[C@@H](F)C(F)(F)F ZINC001296297139 916330002 /nfs/dbraw/zinc/33/00/02/916330002.db2.gz DSLACLUOAMDNJU-LLVKDONJSA-N 0 2 324.318 1.901 20 30 DDEDLN C#CCOc1ccc(F)cc1NS(=O)(=O)C[C@H]1CCCO1 ZINC000172813629 198152879 /nfs/dbraw/zinc/15/28/79/198152879.db2.gz MOGJDQDFFZOOMZ-GFCCVEGCSA-N 0 2 313.350 1.758 20 30 DDEDLN CC(C)(C)OC(=O)Nc1ccc(C(=O)NC2=NC(=O)CN2)cc1 ZINC000050222596 352564273 /nfs/dbraw/zinc/56/42/73/352564273.db2.gz RAUNSQMVSIRZMV-UHFFFAOYSA-N 0 2 318.333 1.824 20 30 DDEDLN CCc1ccc(CC)c(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)c1 ZINC000564967338 304031228 /nfs/dbraw/zinc/03/12/28/304031228.db2.gz RMBFKAHMGJFBRG-UHFFFAOYSA-N 0 2 311.341 1.416 20 30 DDEDLN CCc1cc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)n[nH]1 ZINC000120702456 354014285 /nfs/dbraw/zinc/01/42/85/354014285.db2.gz UAILJDIOKBZXJR-UHFFFAOYSA-N 0 2 303.347 1.506 20 30 DDEDLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000329081570 222929480 /nfs/dbraw/zinc/92/94/80/222929480.db2.gz DEUDTEYKQWRKDG-SECBINFHSA-N 0 2 322.346 1.200 20 30 DDEDLN N#Cc1nc(NC(=O)c2occc2Br)[nH]c1C#N ZINC000081731818 192317342 /nfs/dbraw/zinc/31/73/42/192317342.db2.gz CUVINMKBLWDVGL-UHFFFAOYSA-N 0 2 306.079 1.761 20 30 DDEDLN CCN(C[C@@H](C)C#N)C(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000596825607 356987657 /nfs/dbraw/zinc/98/76/57/356987657.db2.gz CXCZOUWODJAXNS-JTQLQIEISA-N 0 2 300.318 1.652 20 30 DDEDLN C=CCC1(C(=O)Nc2nnc(NS(C)(=O)=O)s2)CCC1 ZINC000189887051 200465947 /nfs/dbraw/zinc/46/59/47/200465947.db2.gz VAPHXAZYNDUOBD-UHFFFAOYSA-N 0 2 316.408 1.595 20 30 DDEDLN COc1ncccc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619461829 364023614 /nfs/dbraw/zinc/02/36/14/364023614.db2.gz PVUYEXPEOJBJLT-UHFFFAOYSA-N 0 2 303.343 1.957 20 30 DDEDLN C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000066115302 184390737 /nfs/dbraw/zinc/39/07/37/184390737.db2.gz OEVJYJUGQPDYGE-CQSZACIVSA-N 0 2 304.346 1.027 20 30 DDEDLN C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])c1 ZINC000066115302 184390739 /nfs/dbraw/zinc/39/07/39/184390739.db2.gz OEVJYJUGQPDYGE-CQSZACIVSA-N 0 2 304.346 1.027 20 30 DDEDLN COCC1(C#N)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000357093745 292207818 /nfs/dbraw/zinc/20/78/18/292207818.db2.gz MAQVGRZYZPKQDQ-UHFFFAOYSA-N 0 2 319.317 1.693 20 30 DDEDLN CC(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)nc1 ZINC000131708903 407748885 /nfs/dbraw/zinc/74/88/85/407748885.db2.gz VPNAOEUEORNABJ-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN Cn1ncc2c1[nH]cc(C(=O)NC1(C#N)CCSCC1)c2=O ZINC000182306009 408122645 /nfs/dbraw/zinc/12/26/45/408122645.db2.gz ZQASTSAOZONHIT-UHFFFAOYSA-N 0 2 317.374 1.193 20 30 DDEDLN N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)nc1 ZINC000293839829 409190898 /nfs/dbraw/zinc/19/08/98/409190898.db2.gz WKTYWUONKPGKEY-GXSJLCMTSA-N 0 2 317.242 1.833 20 30 DDEDLN N#Cc1ccc(O[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)nc1 ZINC000293839829 409190901 /nfs/dbraw/zinc/19/09/01/409190901.db2.gz WKTYWUONKPGKEY-GXSJLCMTSA-N 0 2 317.242 1.833 20 30 DDEDLN CNC(=O)C[C@H]1S/C(=N/c2ccccc2)N(CCF)C1=O ZINC000280606188 409376964 /nfs/dbraw/zinc/37/69/64/409376964.db2.gz PXLIIXBHBNJSAA-HKOCCSETSA-N 0 2 309.366 1.724 20 30 DDEDLN CNC(=O)CC1S/C(=N/c2ccccc2)N(CCF)C1=O ZINC000280606188 409376972 /nfs/dbraw/zinc/37/69/72/409376972.db2.gz PXLIIXBHBNJSAA-HKOCCSETSA-N 0 2 309.366 1.724 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2ccnc(C)n2)cc1C#N ZINC000342050882 409547986 /nfs/dbraw/zinc/54/79/86/409547986.db2.gz DLUSEZKSQPZBIZ-UHFFFAOYSA-N 0 2 315.358 1.409 20 30 DDEDLN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(C#N)nc2)n1 ZINC000342436743 409630387 /nfs/dbraw/zinc/63/03/87/409630387.db2.gz QUHLDHJQPMBZIT-UHFFFAOYSA-N 0 2 306.351 1.101 20 30 DDEDLN Cc1nn(-c2ccccc2)cc1C(=O)N=c1[nH][nH]c(C)c1C#N ZINC000357155550 409908957 /nfs/dbraw/zinc/90/89/57/409908957.db2.gz GJXSPGJIFQJORI-UHFFFAOYSA-N 0 2 306.329 2.336 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cn(C)nc2-c2cccs2)c1C#N ZINC000357260201 409951263 /nfs/dbraw/zinc/95/12/63/409951263.db2.gz PLTLUNYCMUSVQJ-UHFFFAOYSA-N 0 2 312.358 2.304 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2nnn(-c3cccc(C)c3)c2C)c1C#N ZINC000357248262 409952015 /nfs/dbraw/zinc/95/20/15/409952015.db2.gz VOJKNCJLBBYAGJ-UHFFFAOYSA-N 0 2 321.344 2.040 20 30 DDEDLN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cn1 ZINC000357515626 410078794 /nfs/dbraw/zinc/07/87/94/410078794.db2.gz HNUTWKQAVKFHOF-UHFFFAOYSA-N 0 2 318.358 1.936 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCCO[C@H](C)C2)cc1C#N ZINC000340255289 410799775 /nfs/dbraw/zinc/79/97/75/410799775.db2.gz UXZGJYUWCYAXOQ-SECBINFHSA-N 0 2 307.375 1.632 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@](C)(CO)C(C)C)cc1C#N ZINC000427384152 419650510 /nfs/dbraw/zinc/65/05/10/419650510.db2.gz WOQITPKDFAYCSL-AWEZNQCLSA-N 0 2 309.391 1.518 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccccc2)cn1 ZINC000492746292 420650928 /nfs/dbraw/zinc/65/09/28/420650928.db2.gz BMHFVIVALYXTQB-RMKNXTFCSA-N 0 2 313.338 1.472 20 30 DDEDLN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000572605704 421805875 /nfs/dbraw/zinc/80/58/75/421805875.db2.gz VPNOJXSXEGEJRH-ABAIWWIYSA-N 0 2 308.382 1.445 20 30 DDEDLN C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)[O-])nn1C ZINC000635311377 421901404 /nfs/dbraw/zinc/90/14/04/421901404.db2.gz AUYNTTLJHXILED-UHFFFAOYSA-N 0 2 319.361 1.782 20 30 DDEDLN C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cc(C(=O)[O-])nn1C ZINC000635311377 421901410 /nfs/dbraw/zinc/90/14/10/421901410.db2.gz AUYNTTLJHXILED-UHFFFAOYSA-N 0 2 319.361 1.782 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(=O)[O-] ZINC000630182574 421941517 /nfs/dbraw/zinc/94/15/17/421941517.db2.gz OFMKTINVNLFJTK-UONOGXRCSA-N 0 2 310.394 1.165 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(=O)[O-] ZINC000630182574 421941524 /nfs/dbraw/zinc/94/15/24/421941524.db2.gz OFMKTINVNLFJTK-UONOGXRCSA-N 0 2 310.394 1.165 20 30 DDEDLN N#Cc1ccnc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c1 ZINC000353089589 269992121 /nfs/dbraw/zinc/99/21/21/269992121.db2.gz YGGOKISTGLPQGE-UHFFFAOYSA-N 0 2 307.269 1.549 20 30 DDEDLN C[C@@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000817771998 597473680 /nfs/dbraw/zinc/47/36/80/597473680.db2.gz BQJJPOPKQPYSOW-JTQLQIEISA-N 0 2 307.375 1.646 20 30 DDEDLN C[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000817771998 597473683 /nfs/dbraw/zinc/47/36/83/597473683.db2.gz BQJJPOPKQPYSOW-JTQLQIEISA-N 0 2 307.375 1.646 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2NCCSCCC(=O)[O-] ZINC000739075230 600282077 /nfs/dbraw/zinc/28/20/77/600282077.db2.gz BIHIPASWIQLTID-UHFFFAOYSA-N 0 2 320.378 1.360 20 30 DDEDLN C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738641086 604381454 /nfs/dbraw/zinc/38/14/54/604381454.db2.gz XJKUXUKDKKZNCD-CMPLNLGQSA-N 0 2 302.334 1.227 20 30 DDEDLN C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738641086 604381459 /nfs/dbraw/zinc/38/14/59/604381459.db2.gz XJKUXUKDKKZNCD-CMPLNLGQSA-N 0 2 302.334 1.227 20 30 DDEDLN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000833830103 605892769 /nfs/dbraw/zinc/89/27/69/605892769.db2.gz JSINXQSZHPEPOV-UWVGGRQHSA-N 0 2 322.390 1.536 20 30 DDEDLN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000833830103 605892772 /nfs/dbraw/zinc/89/27/72/605892772.db2.gz JSINXQSZHPEPOV-UWVGGRQHSA-N 0 2 322.390 1.536 20 30 DDEDLN C=C[C@@H](C)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000819730035 606813718 /nfs/dbraw/zinc/81/37/18/606813718.db2.gz QHTXMQFAZLXSQD-MRVPVSSYSA-N 0 2 316.365 1.207 20 30 DDEDLN CC(C)(C)c1cnc(C(C#N)C(=O)CN2CCOCC2=O)s1 ZINC000797568805 700015122 /nfs/dbraw/zinc/01/51/22/700015122.db2.gz LZUURFXOQXSXGD-JTQLQIEISA-N 0 2 321.402 1.476 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1N[NH2+]C1=CC(=O)N2CCC[C@H]12 ZINC000799482133 700144146 /nfs/dbraw/zinc/14/41/46/700144146.db2.gz IWPRLUAFSIQFPN-GFCCVEGCSA-N 0 2 303.318 1.556 20 30 DDEDLN C#C[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)[C@H]1CCCO1 ZINC000775339989 697985155 /nfs/dbraw/zinc/98/51/55/697985155.db2.gz LJPIOKVPUGDAKH-UKRRQHHQSA-N 0 2 311.341 1.489 20 30 DDEDLN Cc1nc2cc[nH]n2c(=O)c1CC(=O)OCCCC(C)(C)C#N ZINC000783654251 698865165 /nfs/dbraw/zinc/86/51/65/698865165.db2.gz AGQNKCCKUZLIHC-UHFFFAOYSA-N 0 2 316.361 1.747 20 30 DDEDLN CC(C)(C)OC(=O)CCNN=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000783869028 698888749 /nfs/dbraw/zinc/88/87/49/698888749.db2.gz QYFPQDLVOXFESH-UHFFFAOYSA-N 0 2 309.322 1.956 20 30 DDEDLN CCOC(=O)C1(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CCC1 ZINC000789399699 699384048 /nfs/dbraw/zinc/38/40/48/699384048.db2.gz OSPGFWFKBGRWSF-NSHDSACASA-N 0 2 317.345 1.435 20 30 DDEDLN N#CC(C(=O)CN1CCc2ccccc2C1=O)c1ccncn1 ZINC000789472622 699388971 /nfs/dbraw/zinc/38/89/71/699388971.db2.gz MLCPHGUPJYNCFW-CQSZACIVSA-N 0 2 306.325 1.351 20 30 DDEDLN N#C[C@@H](C(=O)CN1CCc2ccccc2C1=O)c1ccncn1 ZINC000789472622 699388973 /nfs/dbraw/zinc/38/89/73/699388973.db2.gz MLCPHGUPJYNCFW-CQSZACIVSA-N 0 2 306.325 1.351 20 30 DDEDLN C=CCN(C(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccccc1 ZINC000731842403 699537624 /nfs/dbraw/zinc/53/76/24/699537624.db2.gz IHSKKGZTCURQMN-UHFFFAOYSA-N 0 2 309.329 1.290 20 30 DDEDLN N#CCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801385203 700302612 /nfs/dbraw/zinc/30/26/12/700302612.db2.gz NVRFBDHGOPDWJG-UHFFFAOYSA-N 0 2 322.664 1.820 20 30 DDEDLN C=C(COC(=O)C(C)(C)NC(=O)C(F)(F)F)C(=O)OCC ZINC000759118221 700737806 /nfs/dbraw/zinc/73/78/06/700737806.db2.gz TTZCAVPBWDKRMQ-UHFFFAOYSA-N 0 2 311.256 1.106 20 30 DDEDLN N#CC(C(=O)[C@@H]1CCCCN1C(=O)c1ccco1)c1ccncn1 ZINC000760339411 700803239 /nfs/dbraw/zinc/80/32/39/700803239.db2.gz JEUBEDJSNLQDIG-OCCSQVGLSA-N 0 2 324.340 1.941 20 30 DDEDLN N#CC(C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccncn1 ZINC000760342580 700803582 /nfs/dbraw/zinc/80/35/82/700803582.db2.gz YXTIARUBLMPSOE-KGLIPLIRSA-N 0 2 324.315 1.845 20 30 DDEDLN C#CCN(Cc1ccccc1)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000804835819 701215351 /nfs/dbraw/zinc/21/53/51/701215351.db2.gz BWRDBAITRNJQHW-LBPRGKRZSA-N 0 2 301.371 1.205 20 30 DDEDLN Cc1nc(CCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cs1 ZINC000770868487 701298292 /nfs/dbraw/zinc/29/82/92/701298292.db2.gz KUMYNCOPQRVFFT-LLVKDONJSA-N 0 2 302.359 1.709 20 30 DDEDLN COC(=O)CCN(CC#N)Cc1nc(=O)c2sccc2[nH]1 ZINC000879473591 706688775 /nfs/dbraw/zinc/68/87/75/706688775.db2.gz HDDSLXNAHGPGKB-UHFFFAOYSA-N 0 2 306.347 1.286 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)NOCCC)cc2[nH]c1=S ZINC000844083943 702969597 /nfs/dbraw/zinc/96/95/97/702969597.db2.gz VNMNXRCDMVEYGI-UHFFFAOYSA-N 0 2 319.386 1.943 20 30 DDEDLN C=CCS(=O)(=O)[N-]C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000847670049 703450763 /nfs/dbraw/zinc/45/07/63/703450763.db2.gz RPIYYIFLLSYDIO-GFCCVEGCSA-N 0 2 316.810 1.575 20 30 DDEDLN CCc1nn(C)cc1S(=O)(=O)Nc1cc(C#N)ccc1C ZINC000882686092 707748343 /nfs/dbraw/zinc/74/83/43/707748343.db2.gz OWPOEGRNAMRKBA-UHFFFAOYSA-N 0 2 304.375 1.963 20 30 DDEDLN C=C(C)C[C@H](CO)NC(=O)C1=NN(c2ccccc2)CC1=O ZINC000882889190 707839253 /nfs/dbraw/zinc/83/92/53/707839253.db2.gz TWGOFHJRFGUXDF-GFCCVEGCSA-N 0 2 301.346 1.635 20 30 DDEDLN C=C(Cl)C[C@H]([NH3+])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000901017821 709882724 /nfs/dbraw/zinc/88/27/24/709882724.db2.gz GBEDWNXEQNPQHZ-NSHDSACASA-N 0 2 308.831 1.483 20 30 DDEDLN C=CCOC[C@H]([NH2+]Cc1cnnn1-c1ccccc1)C(=O)[O-] ZINC000901808089 710152427 /nfs/dbraw/zinc/15/24/27/710152427.db2.gz AXEVKMKLQRQQEH-AWEZNQCLSA-N 0 2 302.334 1.013 20 30 DDEDLN C#C[C@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC000923989384 714501978 /nfs/dbraw/zinc/50/19/78/714501978.db2.gz IEXRHSCJDWDLNB-JHJVBQTASA-N 0 2 317.393 1.591 20 30 DDEDLN C#CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000968540001 719654691 /nfs/dbraw/zinc/65/46/91/719654691.db2.gz SAWRYAWKRHWVDP-CMPLNLGQSA-N 0 2 314.345 1.002 20 30 DDEDLN C#CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000968540001 719654692 /nfs/dbraw/zinc/65/46/92/719654692.db2.gz SAWRYAWKRHWVDP-CMPLNLGQSA-N 0 2 314.345 1.002 20 30 DDEDLN C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001027471907 738325175 /nfs/dbraw/zinc/32/51/75/738325175.db2.gz WRXTXDDALBWMOJ-HUUCEWRRSA-N 0 2 314.433 1.379 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001028261450 739248937 /nfs/dbraw/zinc/24/89/37/739248937.db2.gz YWLOZVRSLJYLRS-NEPJUHHUSA-N 0 2 323.828 1.243 20 30 DDEDLN C#CCOc1ccc(NS(=O)(=O)c2cnc(Cl)nc2)cc1 ZINC001185047548 744150379 /nfs/dbraw/zinc/15/03/79/744150379.db2.gz IZHYOPBDNXICCL-UHFFFAOYSA-N 0 2 323.761 1.943 20 30 DDEDLN N#Cc1ccc(F)c(S(=O)(=O)Nc2ccccc2CO)c1 ZINC001190648522 745285052 /nfs/dbraw/zinc/28/50/52/745285052.db2.gz TWJTXLVQDAKCDO-UHFFFAOYSA-N 0 2 306.318 1.990 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H]1C ZINC000993216309 745866511 /nfs/dbraw/zinc/86/65/11/745866511.db2.gz HDZVXKBMSHMGBY-QWRGUYRKSA-N 0 2 312.801 1.759 20 30 DDEDLN C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H]1C ZINC000993216309 745866519 /nfs/dbraw/zinc/86/65/19/745866519.db2.gz HDZVXKBMSHMGBY-QWRGUYRKSA-N 0 2 312.801 1.759 20 30 DDEDLN CCOC(=O)C(C)(C)S(=O)(=O)Nc1ccc(C#N)c(C#N)c1 ZINC001193057937 745975293 /nfs/dbraw/zinc/97/52/93/745975293.db2.gz NIFJLJLJZJTQCS-UHFFFAOYSA-N 0 2 321.358 1.513 20 30 DDEDLN COc1cc(NS(=O)(=O)c2cnc(C)n2C)ccc1C#N ZINC001198399814 747478059 /nfs/dbraw/zinc/47/80/59/747478059.db2.gz IURTWBHRXIQRNL-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN N#Cc1cnccc1NC/C=C/CNC(=O)C(F)C(F)(F)F ZINC001107561842 750139577 /nfs/dbraw/zinc/13/95/77/750139577.db2.gz PFICNTFANNQVTE-GXFZAYBSSA-N 0 2 316.258 1.360 20 30 DDEDLN N#Cc1cnccc1NC/C=C/CNC(=O)[C@H](F)C(F)(F)F ZINC001107561842 750139578 /nfs/dbraw/zinc/13/95/78/750139578.db2.gz PFICNTFANNQVTE-GXFZAYBSSA-N 0 2 316.258 1.360 20 30 DDEDLN C=C[C@@H](CO)Nc1ccc(S(=O)(=O)Nc2ccccn2)cn1 ZINC001169779556 762669890 /nfs/dbraw/zinc/66/98/90/762669890.db2.gz LDSHXHUFQSHFIE-NSHDSACASA-N 0 2 320.374 1.236 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001019090247 759577193 /nfs/dbraw/zinc/57/71/93/759577193.db2.gz FLIGSGBBAPRBFG-DTWKUNHWSA-N 0 2 321.274 1.107 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001019090247 759577195 /nfs/dbraw/zinc/57/71/95/759577195.db2.gz FLIGSGBBAPRBFG-DTWKUNHWSA-N 0 2 321.274 1.107 20 30 DDEDLN N#Cc1cnccc1N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001056052697 760934066 /nfs/dbraw/zinc/93/40/66/760934066.db2.gz LFEJTBBSNOZWPD-LLVKDONJSA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1cnccc1N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001056052697 760934069 /nfs/dbraw/zinc/93/40/69/760934069.db2.gz LFEJTBBSNOZWPD-LLVKDONJSA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1nccnc1N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001056803805 761443071 /nfs/dbraw/zinc/44/30/71/761443071.db2.gz APAVFRHZKUTGAO-VXNVDRBHSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001056803805 761443074 /nfs/dbraw/zinc/44/30/74/761443074.db2.gz APAVFRHZKUTGAO-VXNVDRBHSA-N 0 2 317.246 1.261 20 30 DDEDLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001099742801 775211182 /nfs/dbraw/zinc/21/11/82/775211182.db2.gz ZWCUMQLTQNWRMY-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001099742801 775211188 /nfs/dbraw/zinc/21/11/88/775211188.db2.gz ZWCUMQLTQNWRMY-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001326655685 861513873 /nfs/dbraw/zinc/51/38/73/861513873.db2.gz PEBOVJIZIOWCAO-HZPDHXFCSA-N 0 2 309.454 1.111 20 30 DDEDLN N#Cc1ccc(F)c(S(=O)(=O)Nc2cccc(C(N)=O)c2)c1 ZINC001190608611 851139058 /nfs/dbraw/zinc/13/90/58/851139058.db2.gz WCYZYHKXHBEVTK-UHFFFAOYSA-N 0 2 319.317 1.597 20 30 DDEDLN COc1cc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)n(C)n1 ZINC001411551022 853347810 /nfs/dbraw/zinc/34/78/10/853347810.db2.gz MZAAIJMGAPKHIT-UHFFFAOYSA-N 0 2 319.346 1.375 20 30 DDEDLN O=C1C=C2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]2S1 ZINC001139090483 860281551 /nfs/dbraw/zinc/28/15/51/860281551.db2.gz HXFFEELKYABRFH-ZDUSSCGKSA-N 0 2 313.386 1.641 20 30 DDEDLN O=C1C=C2CN(Cc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]2S1 ZINC001139090483 860281557 /nfs/dbraw/zinc/28/15/57/860281557.db2.gz HXFFEELKYABRFH-ZDUSSCGKSA-N 0 2 313.386 1.641 20 30 DDEDLN C#CC[C@@H]1CCCN(c2nnc(-c3n[nH]c(Cl)n3)n2C)C1 ZINC001338059503 869774145 /nfs/dbraw/zinc/77/41/45/869774145.db2.gz MEACYVADVSKARK-SECBINFHSA-N 0 2 305.773 1.493 20 30 DDEDLN C#CCCCC(=O)N[C@@H](CC)CNC(=O)C(F)C(F)(F)F ZINC001297422712 870041954 /nfs/dbraw/zinc/04/19/54/870041954.db2.gz WCXLUCLWMNQNAS-GXSJLCMTSA-N 0 2 310.291 1.701 20 30 DDEDLN C#CCCCC(=O)N[C@@H](CC)CNC(=O)[C@@H](F)C(F)(F)F ZINC001297422712 870041965 /nfs/dbraw/zinc/04/19/65/870041965.db2.gz WCXLUCLWMNQNAS-GXSJLCMTSA-N 0 2 310.291 1.701 20 30 DDEDLN C#C[C@@H]1CCCCN1c1nnc(-c2n[nH]c(Cl)n2)n1CC=C ZINC001339091320 870343377 /nfs/dbraw/zinc/34/33/77/870343377.db2.gz RUUSHHSUNFCBGE-SNVBAGLBSA-N 0 2 317.784 1.895 20 30 DDEDLN COCCc1ccnc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)c1 ZINC001362527225 884008919 /nfs/dbraw/zinc/00/89/19/884008919.db2.gz LNYWKECKNOSTMG-UHFFFAOYSA-N 0 2 312.329 1.804 20 30 DDEDLN COc1ccc2[nH]c(=O)nc(OC3=C(C)O[C@H](C)C3=O)c2c1 ZINC001230853385 884966904 /nfs/dbraw/zinc/96/69/04/884966904.db2.gz JKHRRWJLIMXRAG-SSDOTTSWSA-N 0 2 302.286 1.942 20 30 DDEDLN C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001384550053 887665057 /nfs/dbraw/zinc/66/50/57/887665057.db2.gz ZENSTFALOAWXIU-MAUMQABQSA-N 0 2 309.263 1.057 20 30 DDEDLN C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001384550053 887665067 /nfs/dbraw/zinc/66/50/67/887665067.db2.gz ZENSTFALOAWXIU-MAUMQABQSA-N 0 2 309.263 1.057 20 30 DDEDLN CC(C)CC[C@H]1CCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001364145163 888022065 /nfs/dbraw/zinc/02/20/65/888022065.db2.gz BBKPCPBYJJMXAB-DGCLKSJQSA-N 0 2 304.394 1.962 20 30 DDEDLN C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCN1Cc1n[nH]c(=O)[nH]1 ZINC001234538462 888069134 /nfs/dbraw/zinc/06/91/34/888069134.db2.gz YODNJCYVHCSHGQ-NSHDSACASA-N 0 2 307.398 1.145 20 30 DDEDLN N#Cc1cnc2ccnn2c1NS(=O)(=O)Cc1ccccc1 ZINC001252810527 895467477 /nfs/dbraw/zinc/46/74/77/895467477.db2.gz FIIHYSVGEVYTRG-UHFFFAOYSA-N 0 2 313.342 1.543 20 30 DDEDLN C#Cc1ccc(NS(=O)(=O)c2ccccc2C(=O)OC)cn1 ZINC001253972226 896189998 /nfs/dbraw/zinc/18/99/98/896189998.db2.gz FUQIWHAZRHYVLZ-UHFFFAOYSA-N 0 2 316.338 1.650 20 30 DDEDLN CC(=O)c1ccncc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC001258039690 898032309 /nfs/dbraw/zinc/03/23/09/898032309.db2.gz YKTXZBFUQBHNHV-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN Cc1cc(C#N)cc(NS(=O)(=O)c2cnc3n2CCC3)c1 ZINC000451117233 231012515 /nfs/dbraw/zinc/01/25/15/231012515.db2.gz UFARBVCWMXYFLH-UHFFFAOYSA-N 0 2 302.359 1.810 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCOC[C@@H]2C)cc1C#N ZINC000432555608 295689248 /nfs/dbraw/zinc/68/92/48/295689248.db2.gz HSROHWZZQMRFMJ-KWQFWETISA-N 0 2 307.375 1.536 20 30 DDEDLN N#Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)[nH]c1C#N ZINC000047475550 352498279 /nfs/dbraw/zinc/49/82/79/352498279.db2.gz IRNULYODDWYCHW-SNVBAGLBSA-N 0 2 320.312 1.145 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc(-c3ccccc3)[nH]n2)[nH]c1C#N ZINC000026270257 248185290 /nfs/dbraw/zinc/18/52/90/248185290.db2.gz IICJRYWARTVECY-UHFFFAOYSA-N 0 2 303.285 1.795 20 30 DDEDLN CO[C@@H]1CC[C@@H](NC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000331025483 533428687 /nfs/dbraw/zinc/42/86/87/533428687.db2.gz WEKCOSZTDMIPJX-NXEZZACHSA-N 0 2 307.375 1.678 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1c(C)n[nH]c1C ZINC000185633923 407467984 /nfs/dbraw/zinc/46/79/84/407467984.db2.gz HAEGQVPUAJDDJA-UHFFFAOYSA-N 0 2 306.347 1.708 20 30 DDEDLN N#Cc1nc(NC(=O)c2cnc(-c3ccccn3)s2)[nH]c1C#N ZINC000171292579 407651358 /nfs/dbraw/zinc/65/13/58/407651358.db2.gz NVDCJKNKWKAXRF-UHFFFAOYSA-N 0 2 321.325 1.924 20 30 DDEDLN COc1cccc(Cl)c1CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000158973861 408373248 /nfs/dbraw/zinc/37/32/48/408373248.db2.gz DBUQPUXYNQURHX-UHFFFAOYSA-N 0 2 315.720 1.996 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)s1 ZINC000230333115 163347669 /nfs/dbraw/zinc/34/76/69/163347669.db2.gz VIZOISIJYCDVOE-UHFFFAOYSA-N 0 2 307.356 1.519 20 30 DDEDLN CO[C@H]1CCC[C@H]1CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000342560741 409722048 /nfs/dbraw/zinc/72/20/48/409722048.db2.gz GBUNXUYCMAZRCU-CABZTGNLSA-N 0 2 321.402 1.926 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)Cn2cccn2)cc1C#N ZINC000349845830 409912050 /nfs/dbraw/zinc/91/20/50/409912050.db2.gz JIHYGZMSHQMTQO-VIFPVBQESA-N 0 2 317.374 1.396 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@@H]2CCN(c3ccccc3)[C@H]2C)c1C#N ZINC000357243984 409952206 /nfs/dbraw/zinc/95/22/06/409952206.db2.gz OCDMEWNOXFBZLE-GXTWGEPZSA-N 0 2 309.373 2.443 20 30 DDEDLN CO[C@H]1CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC[C@@H]1C ZINC000346855375 410199936 /nfs/dbraw/zinc/19/99/36/410199936.db2.gz ZUXPKJRWXACKRT-CABZTGNLSA-N 0 2 321.402 1.878 20 30 DDEDLN CCN(C[C@H](C)C#N)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000353839364 411134504 /nfs/dbraw/zinc/13/45/04/411134504.db2.gz GLZGRHUZNGUJIY-MRVPVSSYSA-N 0 2 315.333 1.366 20 30 DDEDLN C=CCOc1ccccc1CNS(=O)(=O)NCC(F)(F)F ZINC000195243959 222194941 /nfs/dbraw/zinc/19/49/41/222194941.db2.gz QJWUXIUXMBIWNL-UHFFFAOYSA-N 0 2 324.324 1.738 20 30 DDEDLN N#Cc1cc(F)ccc1CN1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377493721 418710203 /nfs/dbraw/zinc/71/02/03/418710203.db2.gz SGZULQHXYUJSNF-LLVKDONJSA-N 0 2 301.325 1.901 20 30 DDEDLN CCn1nccc1NS(=O)(=O)c1ccc(C#N)cc1OC ZINC000362132959 418749525 /nfs/dbraw/zinc/74/95/25/418749525.db2.gz FTNJFZMOJBQNKO-UHFFFAOYSA-N 0 2 306.347 1.584 20 30 DDEDLN Cc1nc(-c2cccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)c2)n[nH]1 ZINC000428042720 419799798 /nfs/dbraw/zinc/79/97/98/419799798.db2.gz VRCSHLZALOALGB-UHFFFAOYSA-N 0 2 318.300 1.499 20 30 DDEDLN O=C(NCC#CCO)c1cc(Br)cc(Cl)c1O ZINC000436535230 420337750 /nfs/dbraw/zinc/33/77/50/420337750.db2.gz YVRYRZDYMPEUNU-UHFFFAOYSA-N 0 2 318.554 1.534 20 30 DDEDLN N#CCc1ccnc(NS(=O)(=O)c2cccc(C(N)=O)c2)c1 ZINC000522051752 421813800 /nfs/dbraw/zinc/81/38/00/421813800.db2.gz OCVYWIVZOMWYMJ-UHFFFAOYSA-N 0 2 316.342 1.047 20 30 DDEDLN C=CCCn1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nn1 ZINC000639683688 423654356 /nfs/dbraw/zinc/65/43/56/423654356.db2.gz LQSBKCGJXTVJGF-UHFFFAOYSA-N 0 2 312.421 1.962 20 30 DDEDLN CCC(CC)(NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C(N)=O ZINC000349834123 265999693 /nfs/dbraw/zinc/99/96/93/265999693.db2.gz AZSJPCCHOFBOQC-UHFFFAOYSA-N 0 2 322.390 1.155 20 30 DDEDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C#N)o2)c1 ZINC000343294670 266342573 /nfs/dbraw/zinc/34/25/73/266342573.db2.gz JINRWTMZNVRYMS-UHFFFAOYSA-N 0 2 320.326 1.903 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)cc1F ZINC000174002117 281826812 /nfs/dbraw/zinc/82/68/12/281826812.db2.gz WKWWTRYRNHWGAX-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN Cc1cc(C(=O)N[C@@H]2CC[C@H](C#N)C2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000424978499 301140402 /nfs/dbraw/zinc/14/04/02/301140402.db2.gz QAWCYWYYBORCOH-DTWKUNHWSA-N 0 2 313.317 1.167 20 30 DDEDLN N#Cc1cnn2cc(C[NH2+]CCCNc3cccc[nH+]3)cnc12 ZINC000569811441 308150455 /nfs/dbraw/zinc/15/04/55/308150455.db2.gz XCXSLKDXIZGNKO-UHFFFAOYSA-N 0 2 307.361 1.588 20 30 DDEDLN CC(C)(C)Oc1cccc(Cn2c(=O)[nH]cc(C#N)c2=O)n1 ZINC000574323006 308268304 /nfs/dbraw/zinc/26/83/04/308268304.db2.gz WTOJOHWWPVJBBZ-UHFFFAOYSA-N 0 2 300.318 1.029 20 30 DDEDLN CC#CCCCC(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000184518214 340493438 /nfs/dbraw/zinc/49/34/38/340493438.db2.gz OYIHUSFIYUEARC-UHFFFAOYSA-N 0 2 302.381 1.042 20 30 DDEDLN C[C@@H]1OCC[C@@]1(C)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000329761409 534185751 /nfs/dbraw/zinc/18/57/51/534185751.db2.gz RJLFSGJQAFHWDY-JKYUHCHBSA-N 0 2 304.306 1.308 20 30 DDEDLN COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000737582333 600567207 /nfs/dbraw/zinc/56/72/07/600567207.db2.gz YZCVQRBGEMJPIA-UONOGXRCSA-N 0 2 302.330 1.569 20 30 DDEDLN COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000737582333 600567209 /nfs/dbraw/zinc/56/72/09/600567209.db2.gz YZCVQRBGEMJPIA-UONOGXRCSA-N 0 2 302.330 1.569 20 30 DDEDLN COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000831083691 601314252 /nfs/dbraw/zinc/31/42/52/601314252.db2.gz AOXSQBLEIDQDGJ-ZIAGYGMSSA-N 0 2 302.330 1.569 20 30 DDEDLN COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000831083691 601314250 /nfs/dbraw/zinc/31/42/50/601314250.db2.gz AOXSQBLEIDQDGJ-ZIAGYGMSSA-N 0 2 302.330 1.569 20 30 DDEDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)Cc1ccccc1C#N ZINC000739684258 602870273 /nfs/dbraw/zinc/87/02/73/602870273.db2.gz KMUDGOVPXCZUHV-UHFFFAOYSA-N 0 2 302.378 1.286 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2N[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739075873 603233182 /nfs/dbraw/zinc/23/31/82/603233182.db2.gz ORCGZPZHAUFWRI-SNVBAGLBSA-N 0 2 315.337 1.294 20 30 DDEDLN CCc1ccccc1OCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000123164113 696729243 /nfs/dbraw/zinc/72/92/43/696729243.db2.gz KNKSDJLHHBEHMR-ZDUSSCGKSA-N 0 2 311.341 1.953 20 30 DDEDLN Cn1c2ccccc2nc1[C@H](C#N)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000123187205 696729673 /nfs/dbraw/zinc/72/96/73/696729673.db2.gz CKKKKIBNOGNAFT-SNVBAGLBSA-N 0 2 324.300 1.554 20 30 DDEDLN O=C1c2ccccc2C(=O)N1N=Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000748131290 700101293 /nfs/dbraw/zinc/10/12/93/700101293.db2.gz JSBXZIUQUGAUMT-UHFFFAOYSA-N 0 2 311.253 1.931 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CN1CCCCCCC1=O ZINC000178475555 697425269 /nfs/dbraw/zinc/42/52/69/697425269.db2.gz KBKJSBWINDCMQT-LBPRGKRZSA-N 0 2 316.361 1.104 20 30 DDEDLN N#C[C@H](C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccncn1 ZINC000760352232 700804349 /nfs/dbraw/zinc/80/43/49/700804349.db2.gz JBMPCGVUMIFRMH-NEPJUHHUSA-N 0 2 310.288 1.918 20 30 DDEDLN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000770868017 701298434 /nfs/dbraw/zinc/29/84/34/701298434.db2.gz BFVGSWXFFQQGTM-AGIUHOORSA-N 0 2 303.362 1.907 20 30 DDEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)OCCCSCC#N ZINC000805538382 701391152 /nfs/dbraw/zinc/39/11/52/701391152.db2.gz MXXHPUBGZBTSIY-UHFFFAOYSA-N 0 2 312.313 1.634 20 30 DDEDLN COc1cccc([S@@](=O)CC(=O)[C@H](C#N)C(=O)NC(C)C)c1 ZINC000819943123 704190137 /nfs/dbraw/zinc/19/01/37/704190137.db2.gz OKAGVBBJKDBJHU-XMHCIUCPSA-N 0 2 322.386 1.036 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000860612816 705235765 /nfs/dbraw/zinc/23/57/65/705235765.db2.gz KRQPUZPJFCTFHJ-GBJTYRQASA-N 0 2 305.337 1.898 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC000892864129 710515152 /nfs/dbraw/zinc/51/51/52/710515152.db2.gz RUWLDEAFTJACLS-RYUDHWBXSA-N 0 2 303.362 1.907 20 30 DDEDLN COC(=O)CC1CC(NS(=O)(=O)Cc2ccc(C#N)cc2)C1 ZINC000921185248 713719084 /nfs/dbraw/zinc/71/90/84/713719084.db2.gz CKKYFOQYFLJXKX-UHFFFAOYSA-N 0 2 322.386 1.319 20 30 DDEDLN N#CC1(C[C@@H](O)C[N@@H+]2CCc3[nH+]ccc(N)c3C2)CCOCC1 ZINC000931516098 714116598 /nfs/dbraw/zinc/11/65/98/714116598.db2.gz HKKNZITXSXJLRA-CYBMUJFWSA-N 0 2 316.405 1.093 20 30 DDEDLN C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000968925341 719875464 /nfs/dbraw/zinc/87/54/64/719875464.db2.gz AMBXUOUBFPEXFK-HZPDHXFCSA-N 0 2 314.433 1.440 20 30 DDEDLN C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nnc1-c1ccccc1 ZINC001024817772 736111413 /nfs/dbraw/zinc/11/14/13/736111413.db2.gz HDBNAKYKJOAMQG-OAHLLOKOSA-N 0 2 323.400 1.689 20 30 DDEDLN C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nnc1-c1ccccc1 ZINC001024817772 736111415 /nfs/dbraw/zinc/11/14/15/736111415.db2.gz HDBNAKYKJOAMQG-OAHLLOKOSA-N 0 2 323.400 1.689 20 30 DDEDLN CN(CCN(C)c1ccc(C#N)nc1)C(=O)C(F)C(F)(F)F ZINC001105589447 742133727 /nfs/dbraw/zinc/13/37/27/742133727.db2.gz UXNAEZNJVOUVFN-LLVKDONJSA-N 0 2 318.274 1.748 20 30 DDEDLN CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@@H](F)C(F)(F)F ZINC001105589447 742133729 /nfs/dbraw/zinc/13/37/29/742133729.db2.gz UXNAEZNJVOUVFN-LLVKDONJSA-N 0 2 318.274 1.748 20 30 DDEDLN C#Cc1cnc(NC(=O)c2ncc(C(F)(F)F)[nH]2)c(C#C)n1 ZINC001188281702 744686673 /nfs/dbraw/zinc/68/66/73/744686673.db2.gz ZVZXVKHEYNQNCV-UHFFFAOYSA-N 0 2 305.219 1.433 20 30 DDEDLN N#C[C@H]1CN(C(=O)Nc2cc(F)cc3c2OCOC3)CCC1=O ZINC001188852127 744784004 /nfs/dbraw/zinc/78/40/04/744784004.db2.gz KIYMLJHOCNHLCW-JTQLQIEISA-N 0 2 319.292 1.639 20 30 DDEDLN C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190444807 745209142 /nfs/dbraw/zinc/20/91/42/745209142.db2.gz RYMGHPZXNOHODB-KBPBESRZSA-N 0 2 319.852 1.952 20 30 DDEDLN CC(C)(C)n1ncc(C#N)c1NS(=O)(=O)C[C@H]1CCCO1 ZINC001193199114 746010396 /nfs/dbraw/zinc/01/03/96/746010396.db2.gz KWCIMTJGUOKMIH-LLVKDONJSA-N 0 2 312.395 1.430 20 30 DDEDLN CCOC(=O)c1n[nH]cc1NC(=O)c1cccc(C#N)c1O ZINC001193635515 746156405 /nfs/dbraw/zinc/15/64/05/746156405.db2.gz VTXUXFINQFHVME-UHFFFAOYSA-N 0 2 300.274 1.416 20 30 DDEDLN N#Cc1cccc(C(=O)NC(=N)n2nnc3ccccc32)c1O ZINC001193659615 746169071 /nfs/dbraw/zinc/16/90/71/746169071.db2.gz ONHMICZGOWFDTJ-UHFFFAOYSA-N 0 2 306.285 1.221 20 30 DDEDLN COc1ncccc1S(=O)(=O)Nc1ccc(O)c(C#N)c1 ZINC001194719355 746449192 /nfs/dbraw/zinc/44/91/92/746449192.db2.gz SSQQYAKEDYBOIM-UHFFFAOYSA-N 0 2 305.315 1.468 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2cccc3nccnc32)cn1 ZINC001194941602 746491942 /nfs/dbraw/zinc/49/19/42/746491942.db2.gz CREWMXPVZHJRIZ-UHFFFAOYSA-N 0 2 311.326 1.697 20 30 DDEDLN COC(=O)CCCCS(=O)(=O)Nc1c(C)ccnc1C#N ZINC001196928924 747000372 /nfs/dbraw/zinc/00/03/72/747000372.db2.gz KCVAPPKTYHSAHX-UHFFFAOYSA-N 0 2 311.363 1.347 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2ccc3occc3c2)CCC1=O ZINC001198844535 747626126 /nfs/dbraw/zinc/62/61/26/747626126.db2.gz FPGQSSCGLXBMLH-LLVKDONJSA-N 0 2 304.327 1.536 20 30 DDEDLN C[C@@H](CNc1cnc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001108739761 762897252 /nfs/dbraw/zinc/89/72/52/762897252.db2.gz QSRMADXCYOSPBF-RCOVLWMOSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@H](F)C(F)(F)F ZINC001108739761 762897261 /nfs/dbraw/zinc/89/72/61/762897261.db2.gz QSRMADXCYOSPBF-RCOVLWMOSA-N 0 2 305.235 1.165 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21 ZINC001042015343 763567412 /nfs/dbraw/zinc/56/74/12/763567412.db2.gz GOLKOGKPZBZXMA-RYUDHWBXSA-N 0 2 324.812 1.713 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21 ZINC001042015343 763567417 /nfs/dbraw/zinc/56/74/17/763567417.db2.gz GOLKOGKPZBZXMA-RYUDHWBXSA-N 0 2 324.812 1.713 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccnc(C#N)n1 ZINC001113933765 766423614 /nfs/dbraw/zinc/42/36/14/766423614.db2.gz CIWQOZWJZCKEFL-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1ccnc(C#N)n1 ZINC001113933765 766423615 /nfs/dbraw/zinc/42/36/15/766423615.db2.gz CIWQOZWJZCKEFL-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1cncc(C#N)n1 ZINC001113935070 766425544 /nfs/dbraw/zinc/42/55/44/766425544.db2.gz VJAPHDLZZBMTCI-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1cncc(C#N)n1 ZINC001113935070 766425551 /nfs/dbraw/zinc/42/55/51/766425551.db2.gz VJAPHDLZZBMTCI-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN C=C(Cl)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149895357 861967344 /nfs/dbraw/zinc/96/73/44/861967344.db2.gz HQEZKHJVIKHIRW-UONOGXRCSA-N 0 2 317.861 1.286 20 30 DDEDLN C=C(Cl)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001149895358 861967565 /nfs/dbraw/zinc/96/75/65/861967565.db2.gz HQEZKHJVIKHIRW-ZIAGYGMSSA-N 0 2 317.861 1.286 20 30 DDEDLN N#CCCc1ccc(NC(=O)CC2SC(=N)NC2=O)cc1 ZINC001413592063 857198281 /nfs/dbraw/zinc/19/82/81/857198281.db2.gz FULKLLOXAWNVPX-NSHDSACASA-N 0 2 302.359 1.638 20 30 DDEDLN C[C@H](C#N)C(=O)N1CC=C(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001339499958 870526395 /nfs/dbraw/zinc/52/63/95/870526395.db2.gz LLJKTAHWMAHQBB-PSASIEDQSA-N 0 2 321.274 1.321 20 30 DDEDLN C[C@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001339499958 870526402 /nfs/dbraw/zinc/52/64/02/870526402.db2.gz LLJKTAHWMAHQBB-PSASIEDQSA-N 0 2 321.274 1.321 20 30 DDEDLN CC(C)(O)[C@@H](Oc1ccccc1)C(=O)n1ncc(C#N)c1N ZINC001301624545 871010644 /nfs/dbraw/zinc/01/06/44/871010644.db2.gz FHGQWWAWHWYYIL-LBPRGKRZSA-N 0 2 300.318 1.196 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H](C)CNC(=O)C(F)C(F)(F)F)C1 ZINC001354458887 877996743 /nfs/dbraw/zinc/99/67/43/877996743.db2.gz KGUSGRZTSXHGRG-RKDXNWHRSA-N 0 2 310.291 1.864 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001354458887 877996754 /nfs/dbraw/zinc/99/67/54/877996754.db2.gz KGUSGRZTSXHGRG-RKDXNWHRSA-N 0 2 310.291 1.864 20 30 DDEDLN CC[C@@H](CNC(=O)C(F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001356895252 879554639 /nfs/dbraw/zinc/55/46/39/879554639.db2.gz WKTOMKNPEGRQMR-ONGXEEELSA-N 0 2 324.318 1.947 20 30 DDEDLN CC[C@@H](CNC(=O)[C@H](F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001356895252 879554650 /nfs/dbraw/zinc/55/46/50/879554650.db2.gz WKTOMKNPEGRQMR-ONGXEEELSA-N 0 2 324.318 1.947 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)c2nccn2C)cc1C#N ZINC001362405172 883736083 /nfs/dbraw/zinc/73/60/83/883736083.db2.gz IJENPOUBGRKKEC-UHFFFAOYSA-N 0 2 303.347 1.391 20 30 DDEDLN C=C[C@H](Oc1ccc(C[C@H]2SC(=O)NC2=O)cc1)C(=O)OC ZINC001229623934 884082948 /nfs/dbraw/zinc/08/29/48/884082948.db2.gz LULONKDURIJTCK-NWDGAFQWSA-N 0 2 321.354 1.687 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001383884349 886688425 /nfs/dbraw/zinc/68/84/25/886688425.db2.gz GYJXXLYJAGKBGQ-RKDXNWHRSA-N 0 2 323.290 1.449 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1(CCNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001383884349 886688431 /nfs/dbraw/zinc/68/84/31/886688431.db2.gz GYJXXLYJAGKBGQ-RKDXNWHRSA-N 0 2 323.290 1.449 20 30 DDEDLN C[C@H](C#N)C(=O)NCCC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001383909500 886715805 /nfs/dbraw/zinc/71/58/05/886715805.db2.gz ONUQISDLQZESDK-RKDXNWHRSA-N 0 2 323.290 1.449 20 30 DDEDLN C[C@H](C#N)C(=O)NCCC1(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001383909500 886715819 /nfs/dbraw/zinc/71/58/19/886715819.db2.gz ONUQISDLQZESDK-RKDXNWHRSA-N 0 2 323.290 1.449 20 30 DDEDLN C[C@@H](C#N)C(=O)NCCC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001383909498 886716217 /nfs/dbraw/zinc/71/62/17/886716217.db2.gz ONUQISDLQZESDK-DTWKUNHWSA-N 0 2 323.290 1.449 20 30 DDEDLN C[C@@H](C#N)C(=O)NCCC1(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001383909498 886716226 /nfs/dbraw/zinc/71/62/26/886716226.db2.gz ONUQISDLQZESDK-DTWKUNHWSA-N 0 2 323.290 1.449 20 30 DDEDLN COc1cncc(C(=O)Nc2nc(-c3cccc(C#N)c3)n[nH]2)n1 ZINC001306908910 913528496 /nfs/dbraw/zinc/52/84/96/913528496.db2.gz DELFVJULSZFQQM-UHFFFAOYSA-N 0 2 321.300 1.394 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC001255370899 896867045 /nfs/dbraw/zinc/86/70/45/896867045.db2.gz GCBZPBRUEIVPIM-ZDUSSCGKSA-N 0 2 310.375 1.544 20 30 DDEDLN N#Cc1cc(F)cc(F)c1NS(=O)(=O)C1CCOCC1 ZINC001259915978 898926701 /nfs/dbraw/zinc/92/67/01/898926701.db2.gz HVCCZBPGWXGORE-UHFFFAOYSA-N 0 2 302.302 1.757 20 30 DDEDLN C=CCS(=O)(=O)Nc1c(Cl)nc(Cl)cc1C(N)=O ZINC001259922567 898933291 /nfs/dbraw/zinc/93/32/91/898933291.db2.gz CHBQCMQRGDKHII-UHFFFAOYSA-N 0 2 310.162 1.415 20 30 DDEDLN C#CC[N@@H+](C)CCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C(C)C ZINC001284553016 909176314 /nfs/dbraw/zinc/17/63/14/909176314.db2.gz CMIGAUJYQZXPAC-UHFFFAOYSA-N 0 2 316.361 1.344 20 30 DDEDLN C#CC[N@H+](C)CCN(C(=O)c1ccc2oc(=O)nc-2[n-]1)C(C)C ZINC001284553016 909176319 /nfs/dbraw/zinc/17/63/19/909176319.db2.gz CMIGAUJYQZXPAC-UHFFFAOYSA-N 0 2 316.361 1.344 20 30 DDEDLN C=C1CCC(C(=O)N2CC(NC(=O)C(F)C(F)(F)F)C2)CC1 ZINC001284913122 909720824 /nfs/dbraw/zinc/72/08/24/909720824.db2.gz GEEGSYVJMQTYOA-LLVKDONJSA-N 0 2 322.302 1.960 20 30 DDEDLN C=C1CCC(C(=O)N2CC(NC(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC001284913122 909720838 /nfs/dbraw/zinc/72/08/38/909720838.db2.gz GEEGSYVJMQTYOA-LLVKDONJSA-N 0 2 322.302 1.960 20 30 DDEDLN N#Cc1nc(NC(=O)c2cnn(CC(F)(F)F)c2)[nH]c1C#N ZINC000615931444 362493435 /nfs/dbraw/zinc/49/34/35/362493435.db2.gz XDAZMUCPAFMSBY-UHFFFAOYSA-N 0 2 309.211 1.164 20 30 DDEDLN Cc1csc([C@H](C#N)C(=O)c2cc3c(cn2)nc[nH]c3=O)n1 ZINC000494868087 235097668 /nfs/dbraw/zinc/09/76/68/235097668.db2.gz IVNGBLCXAJYFPP-SECBINFHSA-N 0 2 311.326 1.985 20 30 DDEDLN Cc1csc(C(C#N)C(=O)c2cc3c(cn2)nc[nH]c3=O)n1 ZINC000494868087 235097671 /nfs/dbraw/zinc/09/76/71/235097671.db2.gz IVNGBLCXAJYFPP-SECBINFHSA-N 0 2 311.326 1.985 20 30 DDEDLN CCn1nccc1CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000598559733 357632193 /nfs/dbraw/zinc/63/21/93/357632193.db2.gz YVBJBMIZMNEZBG-UHFFFAOYSA-N 0 2 317.374 1.527 20 30 DDEDLN CO[C@H]1CCCC[C@H]1S(=O)(=O)Nc1ccn(CCC#N)n1 ZINC000603418892 359628727 /nfs/dbraw/zinc/62/87/27/359628727.db2.gz OCFOMKRUYOPAJS-NWDGAFQWSA-N 0 2 312.395 1.496 20 30 DDEDLN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccccc1C#N ZINC000610863927 360555688 /nfs/dbraw/zinc/55/56/88/360555688.db2.gz FWVKYVBDGFAQQO-UHFFFAOYSA-N 0 2 321.383 1.828 20 30 DDEDLN Cc1cccc2nc([C@H](C#N)C(=O)c3cn(C)c(=O)[nH]c3=O)[nH]c21 ZINC000345379263 223345360 /nfs/dbraw/zinc/34/53/60/223345360.db2.gz PVGSUNBUIKJYTC-SECBINFHSA-N 0 2 323.312 1.161 20 30 DDEDLN Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000026271051 248185113 /nfs/dbraw/zinc/18/51/13/248185113.db2.gz KIKNGEJNYXXEKY-UHFFFAOYSA-N 0 2 322.328 1.138 20 30 DDEDLN CC(C)n1cc(C#N)c(NS(=O)(=O)N2CCC(C)CC2)n1 ZINC000340967158 251308889 /nfs/dbraw/zinc/30/88/89/251308889.db2.gz UIOSWXVZQAUBRD-UHFFFAOYSA-N 0 2 311.411 1.724 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCSC[C@H]2C#N)cc1C#N ZINC000342412450 533076755 /nfs/dbraw/zinc/07/67/55/533076755.db2.gz XXEBXXWHEQHVLR-SECBINFHSA-N 0 2 320.399 1.462 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@H]2CCO)cc1C#N ZINC000331149366 533078462 /nfs/dbraw/zinc/07/84/62/533078462.db2.gz BHGJUDKJMLPCAN-CABZTGNLSA-N 0 2 321.402 1.662 20 30 DDEDLN C=CC[C@@H](CO)NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000185947030 407548795 /nfs/dbraw/zinc/54/87/95/407548795.db2.gz VXARXNBUDGXCHI-NSHDSACASA-N 0 2 317.345 1.253 20 30 DDEDLN COCCc1cc(NS(=O)(=O)c2ccc(C#N)cc2)n(C)n1 ZINC000129679704 407624878 /nfs/dbraw/zinc/62/48/78/407624878.db2.gz RLJYMPSARVYMNG-UHFFFAOYSA-N 0 2 320.374 1.281 20 30 DDEDLN N#Cc1nc(NC(=O)c2cnn(CCC(F)(F)F)c2)[nH]c1C#N ZINC000182718104 408230911 /nfs/dbraw/zinc/23/09/11/408230911.db2.gz FYGQAKRSBRESJS-UHFFFAOYSA-N 0 2 323.238 1.554 20 30 DDEDLN CCC(CC)(CO)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000158865649 408365902 /nfs/dbraw/zinc/36/59/02/408365902.db2.gz FORDUUSDVHJVPL-UHFFFAOYSA-N 0 2 323.418 1.497 20 30 DDEDLN Cc1cccc2c1[nH]cc(C(=O)N1CCN(C)[C@H](C#N)C1)c2=O ZINC000274932365 408567301 /nfs/dbraw/zinc/56/73/01/408567301.db2.gz LCBUMMFLMNTNLA-GFCCVEGCSA-N 0 2 310.357 1.529 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H](Sc3n[nH]c(=O)[nH]3)C2=O)cc1 ZINC000187635875 163024600 /nfs/dbraw/zinc/02/46/00/163024600.db2.gz OJGOGCDZRAUMEI-SNVBAGLBSA-N 0 2 301.331 1.280 20 30 DDEDLN Cc1nn(C)c(C)c1NS(=O)(=O)c1ccccc1CC#N ZINC000280039623 409255291 /nfs/dbraw/zinc/25/52/91/409255291.db2.gz WYKUJMMXJHIIHT-UHFFFAOYSA-N 0 2 304.375 1.904 20 30 DDEDLN CCOC(CCNS(=O)(=O)c1cncc(C#N)c1)OCC ZINC000289455794 409276025 /nfs/dbraw/zinc/27/60/25/409276025.db2.gz LNCPOZMBPDLOQP-UHFFFAOYSA-N 0 2 313.379 1.021 20 30 DDEDLN C[C@H]1CCCC[C@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408504915 164353835 /nfs/dbraw/zinc/35/38/35/164353835.db2.gz ZRFLWSHYBHEDHP-GXFFZTMASA-N 0 2 307.375 1.584 20 30 DDEDLN Cn1cc(-c2[nH]ncc2C(=O)NCC(C)(C)CCC#N)cn1 ZINC000360410341 418427327 /nfs/dbraw/zinc/42/73/27/418427327.db2.gz GKPSVDGELSXCKG-UHFFFAOYSA-N 0 2 300.366 1.870 20 30 DDEDLN C=CC[C@@H](CO)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000365557119 418875400 /nfs/dbraw/zinc/87/54/00/418875400.db2.gz QDKPIYKYLXSXLW-VIFPVBQESA-N 0 2 310.404 1.747 20 30 DDEDLN Cc1ccc(/C=C/C(=O)NS(=O)(=O)c2cncc(C#N)c2)o1 ZINC000493535398 420876234 /nfs/dbraw/zinc/87/62/34/420876234.db2.gz YMANWKJGHYEZBR-SNAWJCMRSA-N 0 2 317.326 1.373 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)cc1 ZINC000572707315 421846604 /nfs/dbraw/zinc/84/66/04/421846604.db2.gz ZDZPEQZLSHVJJO-NSHDSACASA-N 0 2 320.330 1.594 20 30 DDEDLN C[C@H](C#N)CN(C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C1CC1 ZINC000338378672 333485650 /nfs/dbraw/zinc/48/56/50/333485650.db2.gz PXZJHRSUSZBMJZ-MRVPVSSYSA-N 0 2 313.317 1.200 20 30 DDEDLN Cc1cc(C(O)=C(C#N)C(=O)NC(C)C)c(C)n1[C@H]1CCOC1 ZINC000528917292 340739007 /nfs/dbraw/zinc/73/90/07/340739007.db2.gz HGFBVGPTZAWXMA-DZGCQCFKSA-N 0 2 317.389 1.913 20 30 DDEDLN N#CC1(C(=O)N=c2nc(-c3cccnc3)[nH]s2)CCOCC1 ZINC000550333205 341315345 /nfs/dbraw/zinc/31/53/45/341315345.db2.gz VGHASBJYUKBHJK-UHFFFAOYSA-N 0 2 315.358 1.281 20 30 DDEDLN CC#CC[N@@H+]1C[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977502262 696191489 /nfs/dbraw/zinc/19/14/89/696191489.db2.gz UFJMVVIIUJUWSZ-INIZCTEOSA-N 0 2 314.433 1.611 20 30 DDEDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C#Cc1ccccc1 ZINC000174955525 697393509 /nfs/dbraw/zinc/39/35/09/697393509.db2.gz NJUOZXUNDNTUOV-UHFFFAOYSA-N 0 2 323.377 1.995 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CN3CCSC3=O)nc21 ZINC000750727035 700243273 /nfs/dbraw/zinc/24/32/73/700243273.db2.gz ZURWCLVUMDYHAF-VIFPVBQESA-N 0 2 315.358 1.611 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2ccc3c(c2)COC3)cn1 ZINC000727720021 699423568 /nfs/dbraw/zinc/42/35/68/699423568.db2.gz OMLNREISDRBUSG-UHFFFAOYSA-N 0 2 304.331 1.238 20 30 DDEDLN N#CC(C(=O)Cn1ccc2ccccc2c1=O)c1ccncn1 ZINC000790793314 699597801 /nfs/dbraw/zinc/59/78/01/699597801.db2.gz TULPDMHLIVHGHW-AWEZNQCLSA-N 0 2 304.309 1.668 20 30 DDEDLN N#C[C@H](C(=O)Cn1ccc2ccccc2c1=O)c1ccncn1 ZINC000790793314 699597802 /nfs/dbraw/zinc/59/78/02/699597802.db2.gz TULPDMHLIVHGHW-AWEZNQCLSA-N 0 2 304.309 1.668 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1ccccc1CC#N ZINC000761113264 700844484 /nfs/dbraw/zinc/84/44/84/700844484.db2.gz GSNBSNRWEFUZAK-AWEZNQCLSA-N 0 2 306.325 1.620 20 30 DDEDLN N#Cc1cc(F)cc(C2(C(=O)OCc3n[nH]c(=O)[nH]3)CC2)c1 ZINC000803923649 701156322 /nfs/dbraw/zinc/15/63/22/701156322.db2.gz VFARMGGDBMDPPV-UHFFFAOYSA-N 0 2 302.265 1.296 20 30 DDEDLN CC(=O)Nc1ccc(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000770731084 701292376 /nfs/dbraw/zinc/29/23/76/701292376.db2.gz WLHPCPBAGYRAGB-AWEZNQCLSA-N 0 2 324.340 1.513 20 30 DDEDLN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000843726275 702917272 /nfs/dbraw/zinc/91/72/72/702917272.db2.gz LARDZMGWZZXNDI-XNCJUZBTSA-N 0 2 324.196 1.414 20 30 DDEDLN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000843726275 702917273 /nfs/dbraw/zinc/91/72/73/702917273.db2.gz LARDZMGWZZXNDI-XNCJUZBTSA-N 0 2 324.196 1.414 20 30 DDEDLN CCOC(=O)C[C@@H](NC(=O)C(F)C(F)(F)F)C(F)(F)F ZINC000855516769 704490114 /nfs/dbraw/zinc/49/01/14/704490114.db2.gz CWEGJJNOECYQTA-XINAWCOVSA-N 0 2 313.169 1.887 20 30 DDEDLN C=C[C@@H](C)ONC(=O)c1c(C)coc1CC(=O)NO[C@@H](C)C=C ZINC000824233626 705405367 /nfs/dbraw/zinc/40/53/67/705405367.db2.gz WESOULQKLFRJFI-NWDGAFQWSA-N 0 2 322.361 1.989 20 30 DDEDLN C[C@H](c1ccc(C#N)cc1)n1cc(CNC(=O)C(F)(F)F)nn1 ZINC000881303500 707188649 /nfs/dbraw/zinc/18/86/49/707188649.db2.gz CCLJZOKJUIXELD-SECBINFHSA-N 0 2 323.278 1.938 20 30 DDEDLN Cc1cc(=O)[nH]c(N=NC[C@H]2CCN(c3cnn(C)c3)C2)n1 ZINC000872323915 707382311 /nfs/dbraw/zinc/38/23/11/707382311.db2.gz DVMZHDKJGRIJEF-LLVKDONJSA-N 0 2 301.354 1.148 20 30 DDEDLN C=CCC1(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCCC1 ZINC000836991427 707561443 /nfs/dbraw/zinc/56/14/43/707561443.db2.gz SIRXWMVUVHLWDF-UHFFFAOYSA-N 0 2 315.377 1.324 20 30 DDEDLN O=C(CC1S/C(=N/CC(F)F)NC1=O)Nc1ccccc1 ZINC000887268616 709002904 /nfs/dbraw/zinc/00/29/04/709002904.db2.gz PZPLGDGFFRGMSP-SECBINFHSA-N 0 2 313.329 1.868 20 30 DDEDLN C#CCCCCC(=O)N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000911172085 710668347 /nfs/dbraw/zinc/66/83/47/710668347.db2.gz OBJTYXDIZBYFCF-UHFFFAOYSA-N 0 2 315.373 1.622 20 30 DDEDLN COC[C@@H](C)NC(=S)NN=Cc1cc([N+](=O)[O-])ccc1O ZINC000916281551 713449541 /nfs/dbraw/zinc/44/95/41/713449541.db2.gz MVILTXFWSSYAPD-MRVPVSSYSA-N 0 2 312.351 1.133 20 30 DDEDLN Cc1cc([C@H](C#N)C(=O)[C@H](C)NC(=O)C2CCCC2)nc(C)n1 ZINC000916880712 713472246 /nfs/dbraw/zinc/47/22/46/713472246.db2.gz UUIGHRVRLZGXHT-FZMZJTMJSA-N 0 2 314.389 1.965 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1nccnc1C#N ZINC001100748481 736764192 /nfs/dbraw/zinc/76/41/92/736764192.db2.gz WCWAPLQYLNWTQZ-SECBINFHSA-N 0 2 319.262 1.191 20 30 DDEDLN CCN(CCNC(=O)[C@@H](F)C(F)(F)F)c1nccnc1C#N ZINC001100748481 736764193 /nfs/dbraw/zinc/76/41/93/736764193.db2.gz WCWAPLQYLNWTQZ-SECBINFHSA-N 0 2 319.262 1.191 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2[nH]nnc2C)C1 ZINC001021648833 733401178 /nfs/dbraw/zinc/40/11/78/733401178.db2.gz NGCLFOCLGHGXNO-CHWSQXEVSA-N 0 2 323.828 1.792 20 30 DDEDLN CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001024618008 735985435 /nfs/dbraw/zinc/98/54/35/735985435.db2.gz OTYKHSVHRFEBNX-IAGOWNOFSA-N 0 2 321.465 1.090 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2n[nH]nc2C1 ZINC001028261453 739248776 /nfs/dbraw/zinc/24/87/76/739248776.db2.gz YWLOZVRSLJYLRS-VXGBXAGGSA-N 0 2 323.828 1.243 20 30 DDEDLN COCCn1c[nH+]cc1CNC(=O)CCC(=O)C1=CC=C[CH]1 ZINC001184246026 744000770 /nfs/dbraw/zinc/00/07/70/744000770.db2.gz IKCHBEABMAQRNK-UHFFFAOYSA-N 0 2 302.354 1.195 20 30 DDEDLN COC(=O)CCS(=O)(=O)Nc1cc(F)c(C#N)cc1OC ZINC001188393662 744698104 /nfs/dbraw/zinc/69/81/04/744698104.db2.gz LCKLTSKCOWUNLP-UHFFFAOYSA-N 0 2 316.310 1.011 20 30 DDEDLN C[C@H](CCNc1cnc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001106602717 745830473 /nfs/dbraw/zinc/83/04/73/745830473.db2.gz AOJZQYZQSPYXEA-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@H](F)C(F)(F)F ZINC001106602717 745830477 /nfs/dbraw/zinc/83/04/77/745830477.db2.gz AOJZQYZQSPYXEA-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN C=CCOC(=O)c1ccc(NS(=O)(=O)[C@H](C)C#N)c(F)c1 ZINC001193146495 745996497 /nfs/dbraw/zinc/99/64/97/745996497.db2.gz OFXNTBWEPPCAHA-SECBINFHSA-N 0 2 312.322 1.822 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2ccccc2-c2nn[nH]n2)c1O ZINC001193647131 746165978 /nfs/dbraw/zinc/16/59/78/746165978.db2.gz WJDIHCPEQVQISQ-UHFFFAOYSA-N 0 2 306.285 1.696 20 30 DDEDLN C[C@@H]1[C@H](NC(=O)c2cnn[nH]2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000993545567 746206588 /nfs/dbraw/zinc/20/65/88/746206588.db2.gz VYUBJWQVCCRUEO-IUODEOHRSA-N 0 2 324.388 1.459 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cnc(C#N)c(Cl)c2)cn1 ZINC001195695131 746680672 /nfs/dbraw/zinc/68/06/72/746680672.db2.gz NPSDHRVYVZLEPV-UHFFFAOYSA-N 0 2 324.749 1.811 20 30 DDEDLN COc1cc(C#N)cc(NS(=O)(=O)c2cnc(C)n2C)c1 ZINC001198403688 747480987 /nfs/dbraw/zinc/48/09/87/747480987.db2.gz JBHMQZJXWMQUKO-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001127794546 750131014 /nfs/dbraw/zinc/13/10/14/750131014.db2.gz FLTAGXLKOUQQIO-GHMZBOCLSA-N 0 2 312.289 1.051 20 30 DDEDLN C[C@H](CNc1ccc(C#N)nn1)NC(=O)C(F)C(F)(F)F ZINC001108171026 753355264 /nfs/dbraw/zinc/35/52/64/753355264.db2.gz WPVSXLLKRJZLQX-MUWHJKNJSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNc1ccc(C#N)nn1)NC(=O)[C@H](F)C(F)(F)F ZINC001108171026 753355268 /nfs/dbraw/zinc/35/52/68/753355268.db2.gz WPVSXLLKRJZLQX-MUWHJKNJSA-N 0 2 305.235 1.165 20 30 DDEDLN CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800803 754080801 /nfs/dbraw/zinc/08/08/01/754080801.db2.gz ZGJYNCNTDCNFHW-IRXDYDNUSA-N 0 2 311.429 1.670 20 30 DDEDLN N#Cc1cncc(N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)n1 ZINC001056803998 761444075 /nfs/dbraw/zinc/44/40/75/761444075.db2.gz KTAYXEBWWWRIEX-GMSGAONNSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)n1 ZINC001056803998 761444082 /nfs/dbraw/zinc/44/40/82/761444082.db2.gz KTAYXEBWWWRIEX-GMSGAONNSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1ccc(N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cn1 ZINC001056804072 761444362 /nfs/dbraw/zinc/44/43/62/761444362.db2.gz NEWPTMGIBWUERW-MNOVXSKESA-N 0 2 316.258 1.866 20 30 DDEDLN N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)cn1 ZINC001056804072 761444363 /nfs/dbraw/zinc/44/43/63/761444363.db2.gz NEWPTMGIBWUERW-MNOVXSKESA-N 0 2 316.258 1.866 20 30 DDEDLN Cc1cc(C#N)nc(NC[C@H](C)NC(=O)C(F)C(F)(F)F)n1 ZINC001108739907 762897560 /nfs/dbraw/zinc/89/75/60/762897560.db2.gz SAZZBLQWNZSWPS-IONNQARKSA-N 0 2 319.262 1.474 20 30 DDEDLN Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F)n1 ZINC001108739907 762897565 /nfs/dbraw/zinc/89/75/65/762897565.db2.gz SAZZBLQWNZSWPS-IONNQARKSA-N 0 2 319.262 1.474 20 30 DDEDLN C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)C(F)C(F)(F)F ZINC001109274352 763537320 /nfs/dbraw/zinc/53/73/20/763537320.db2.gz DJOVOONSAQRGQM-GZMMTYOYSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CN(C)c1ccc(C#N)nc1)NC(=O)[C@@H](F)C(F)(F)F ZINC001109274352 763537327 /nfs/dbraw/zinc/53/73/27/763537327.db2.gz DJOVOONSAQRGQM-GZMMTYOYSA-N 0 2 318.274 1.795 20 30 DDEDLN N#Cc1cnc(NCCCNC(=O)C(F)C(F)(F)F)c(F)c1 ZINC001094846729 776486026 /nfs/dbraw/zinc/48/60/26/776486026.db2.gz YRKGOAYJDPWJFM-VIFPVBQESA-N 0 2 322.237 1.911 20 30 DDEDLN N#Cc1cnc(NCCCNC(=O)[C@H](F)C(F)(F)F)c(F)c1 ZINC001094846729 776486030 /nfs/dbraw/zinc/48/60/30/776486030.db2.gz YRKGOAYJDPWJFM-VIFPVBQESA-N 0 2 322.237 1.911 20 30 DDEDLN C[N@@H+]1CCO[C@@]2(CCCN(C(=O)CCC(=O)C3=CC=C[CH]3)C2)C1 ZINC001272094524 844595605 /nfs/dbraw/zinc/59/56/05/844595605.db2.gz WWMQZKXNAGTEHV-SFHVURJKSA-N 0 2 317.409 1.359 20 30 DDEDLN C[N@H+]1CCO[C@@]2(CCCN(C(=O)CCC(=O)C3=CC=C[CH]3)C2)C1 ZINC001272094524 844595606 /nfs/dbraw/zinc/59/56/06/844595606.db2.gz WWMQZKXNAGTEHV-SFHVURJKSA-N 0 2 317.409 1.359 20 30 DDEDLN C#CCCCC(=O)N(C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001299344002 851814099 /nfs/dbraw/zinc/81/40/99/851814099.db2.gz XPDLDVJIOUHWCF-NSHDSACASA-N 0 2 308.275 1.360 20 30 DDEDLN C#CCCCC(=O)N(C)C1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001299344002 851814104 /nfs/dbraw/zinc/81/41/04/851814104.db2.gz XPDLDVJIOUHWCF-NSHDSACASA-N 0 2 308.275 1.360 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1cncc(C#N)n1 ZINC001095758509 855323817 /nfs/dbraw/zinc/32/38/17/855323817.db2.gz KZVXPKXUDUIACO-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN CN(CCCNC(=O)[C@H](F)C(F)(F)F)c1cncc(C#N)n1 ZINC001095758509 855323826 /nfs/dbraw/zinc/32/38/26/855323826.db2.gz KZVXPKXUDUIACO-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN C[C@H](c1cccc(C#N)c1)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001413893721 881384853 /nfs/dbraw/zinc/38/48/53/881384853.db2.gz NQONMGMJABSQMD-SNVBAGLBSA-N 0 2 309.329 1.014 20 30 DDEDLN CC#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001153399627 863871423 /nfs/dbraw/zinc/87/14/23/863871423.db2.gz DGNLUYSYSFFFFQ-KGLIPLIRSA-N 0 2 302.422 1.680 20 30 DDEDLN C=CCn1cc(CNC(=O)C2=NN(c3ccccc3)CC2=O)nn1 ZINC001162480569 867565447 /nfs/dbraw/zinc/56/54/47/867565447.db2.gz NSLCWJXVAKHWOV-UHFFFAOYSA-N 0 2 324.344 1.285 20 30 DDEDLN Cc1ccc(OCCCNc2[nH]c(=O)n(C)c(=O)c2C#N)cc1 ZINC001336504450 868980361 /nfs/dbraw/zinc/98/03/61/868980361.db2.gz DFPRUSFPOXGVQB-UHFFFAOYSA-N 0 2 314.345 1.135 20 30 DDEDLN C=CCC[C@H]1CCCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001338293916 869907786 /nfs/dbraw/zinc/90/77/86/869907786.db2.gz ICHMVCWQCHVKBX-NSHDSACASA-N 0 2 301.350 1.028 20 30 DDEDLN CC(C)[N@H+](C)CC(=O)NCC1C[NH+](CC#Cc2ccccc2)C1 ZINC001318175561 871794210 /nfs/dbraw/zinc/79/42/10/871794210.db2.gz BDAVWQGSDHLOQY-UHFFFAOYSA-N 0 2 313.445 1.426 20 30 DDEDLN CCCC[C@H](CNC(=O)c1[nH]ncc1F)NC(=O)[C@H](C)C#N ZINC001383225610 885436337 /nfs/dbraw/zinc/43/63/37/885436337.db2.gz DQYZQPAREAKNPB-NXEZZACHSA-N 0 2 309.345 1.113 20 30 DDEDLN Cn1cnc(C#N)c1NS(=O)(=O)c1ccc(F)cc1Cl ZINC001258911650 898355588 /nfs/dbraw/zinc/35/55/88/898355588.db2.gz IYHSNYZEKFRPSI-UHFFFAOYSA-N 0 2 314.729 1.885 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)CCC1=O ZINC001259088658 898461539 /nfs/dbraw/zinc/46/15/39/898461539.db2.gz PKEUWBBZCXMUKX-QMMMGPOBSA-N 0 2 300.286 1.068 20 30 DDEDLN CCn1cc(S(=O)(=O)Nc2cc(C#N)cc(OC)c2)cn1 ZINC001259838875 898852255 /nfs/dbraw/zinc/85/22/55/898852255.db2.gz NYMVPCKFTPHGGN-UHFFFAOYSA-N 0 2 306.347 1.584 20 30 DDEDLN COc1ccc(C)cc1S(=O)(=O)Nc1cnn(C)c1C#N ZINC001260292522 899113947 /nfs/dbraw/zinc/11/39/47/899113947.db2.gz IJOIRWSUTLMZDL-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN O=C(CC(F)(F)F)N1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001396742338 914362007 /nfs/dbraw/zinc/36/20/07/914362007.db2.gz ZFOCGMGHCJHXAD-IYSWYEEDSA-N 0 2 324.196 1.556 20 30 DDEDLN O=C(CC(F)(F)F)N1CC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001396742338 914362017 /nfs/dbraw/zinc/36/20/17/914362017.db2.gz ZFOCGMGHCJHXAD-IYSWYEEDSA-N 0 2 324.196 1.556 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC001396843244 914580702 /nfs/dbraw/zinc/58/07/02/914580702.db2.gz ONBLCQYNRBZRLS-CBAPKCEASA-N 0 2 309.263 1.154 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001396843244 914580719 /nfs/dbraw/zinc/58/07/19/914580719.db2.gz ONBLCQYNRBZRLS-CBAPKCEASA-N 0 2 309.263 1.154 20 30 DDEDLN CCC(CC)N1C[C@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1=O ZINC000171774838 282195527 /nfs/dbraw/zinc/19/55/27/282195527.db2.gz AJKXMRDXGWGQTE-SECBINFHSA-N 0 2 314.349 1.129 20 30 DDEDLN CCCc1nnc(NS(=O)(=O)c2cccc(CC#N)c2)o1 ZINC000589591034 355002651 /nfs/dbraw/zinc/00/26/51/355002651.db2.gz LLPWAHRSVXUGHK-UHFFFAOYSA-N 0 2 306.347 1.889 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)C2CCC2)cc1C#N ZINC000597923645 357383800 /nfs/dbraw/zinc/38/38/00/357383800.db2.gz VZNWLQSOBNJIOU-NSHDSACASA-N 0 2 307.375 1.272 20 30 DDEDLN CCN(C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1)[C@H](C)C#N ZINC000598357596 357551444 /nfs/dbraw/zinc/55/14/44/357551444.db2.gz AGHVXTHSVPKPDB-MRVPVSSYSA-N 0 2 301.306 1.119 20 30 DDEDLN C=CCOCCCNC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000618516595 363656866 /nfs/dbraw/zinc/65/68/66/363656866.db2.gz QJRQDZPJZVZHPF-UHFFFAOYSA-N 0 2 303.318 1.352 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCOC[C@@H](C)C2)cc1C#N ZINC000339001405 250242445 /nfs/dbraw/zinc/24/24/45/250242445.db2.gz HGDPTZOYNDITDJ-VIFPVBQESA-N 0 2 307.375 1.489 20 30 DDEDLN CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1cn[nH]c1 ZINC000057122597 184027217 /nfs/dbraw/zinc/02/72/17/184027217.db2.gz OTFWCFUDTIADQU-UHFFFAOYSA-N 0 2 306.347 1.869 20 30 DDEDLN CS(=O)(=O)Nc1nnc(NC(=O)c2cccc(C#N)c2)s1 ZINC000340976581 251313201 /nfs/dbraw/zinc/31/32/01/251313201.db2.gz UBFKDUMQOWYWLM-UHFFFAOYSA-N 0 2 323.359 1.034 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC(C(C)(C)O)C2)cc1C#N ZINC000331916514 533077598 /nfs/dbraw/zinc/07/75/98/533077598.db2.gz BRLXEECFCNINMH-UHFFFAOYSA-N 0 2 307.375 1.224 20 30 DDEDLN COC(=O)[C@H](C)N(C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000435951515 533195281 /nfs/dbraw/zinc/19/52/81/533195281.db2.gz GCVWUNYZNCBKEN-ZETCQYMHSA-N 0 2 309.347 1.014 20 30 DDEDLN N#Cc1ccc(NC(=O)CC2S/C(=N/C3CC3)NC2=O)cc1 ZINC000102936381 407329364 /nfs/dbraw/zinc/32/93/64/407329364.db2.gz VCELGBWQLLEKJN-GFCCVEGCSA-N 0 2 314.370 1.637 20 30 DDEDLN N#Cc1ccc(NC(=O)C[C@H]2S/C(=N/C3CC3)NC2=O)cc1 ZINC000102936381 407329365 /nfs/dbraw/zinc/32/93/65/407329365.db2.gz VCELGBWQLLEKJN-GFCCVEGCSA-N 0 2 314.370 1.637 20 30 DDEDLN CN(Cc1cccc(C#N)c1)S(=O)(=O)NCC(F)(F)F ZINC000126944816 407423999 /nfs/dbraw/zinc/42/39/99/407423999.db2.gz POZBKGVMKLGLLW-UHFFFAOYSA-N 0 2 307.297 1.387 20 30 DDEDLN Cc1c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)oc2c1C(=O)CCC2 ZINC000171110770 407600444 /nfs/dbraw/zinc/60/04/44/407600444.db2.gz AMQPHUFJTKZUBF-UHFFFAOYSA-N 0 2 309.285 1.826 20 30 DDEDLN CC(C)c1nnc(NS(=O)(=O)c2ccc(C#N)nc2)s1 ZINC000176596539 408398992 /nfs/dbraw/zinc/39/89/92/408398992.db2.gz IPEFFHLZLKJLMZ-UHFFFAOYSA-N 0 2 309.376 1.729 20 30 DDEDLN Cc1[nH]ncc1CNS(=O)(=O)c1cc(C#N)ccc1Cl ZINC000160724669 408517473 /nfs/dbraw/zinc/51/74/73/408517473.db2.gz QFKBVBBUJYWCRF-UHFFFAOYSA-N 0 2 310.766 1.722 20 30 DDEDLN CCc1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000185145468 408769235 /nfs/dbraw/zinc/76/92/35/408769235.db2.gz DNVXFXUIVXVCSQ-UHFFFAOYSA-N 0 2 324.432 1.947 20 30 DDEDLN CCc1nc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000185145468 408769240 /nfs/dbraw/zinc/76/92/40/408769240.db2.gz DNVXFXUIVXVCSQ-UHFFFAOYSA-N 0 2 324.432 1.947 20 30 DDEDLN CC(C)(C)c1ncc(NS(=O)(=O)c2ccc(C#N)nc2)cn1 ZINC000195446189 163322458 /nfs/dbraw/zinc/32/24/58/163322458.db2.gz CRLQTBXBGUNWHR-UHFFFAOYSA-N 0 2 317.374 1.842 20 30 DDEDLN COCCCn1nccc1C=CC(=O)c1c(O)cc(C)oc1=O ZINC000283142247 409096403 /nfs/dbraw/zinc/09/64/03/409096403.db2.gz YIFATEADXVHESK-RGDDUWESSA-N 0 2 318.329 1.148 20 30 DDEDLN CC1(C)C(C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1(C)C ZINC000408490133 164348158 /nfs/dbraw/zinc/34/81/58/164348158.db2.gz YYYNZAWAQVUCRN-UHFFFAOYSA-N 0 2 307.375 1.440 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CSC[C@H]2C)cc1C#N ZINC000342466696 409655593 /nfs/dbraw/zinc/65/55/93/409655593.db2.gz PWUFXZFEKRKOJO-GMSGAONNSA-N 0 2 309.416 1.862 20 30 DDEDLN COc1cccc(NS(=O)(=O)c2cncc(C#N)c2)c1O ZINC000357073499 409842402 /nfs/dbraw/zinc/84/24/02/409842402.db2.gz LUXOIIZTMCGVSW-UHFFFAOYSA-N 0 2 305.315 1.468 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cnn(C)c2)n1 ZINC000354656041 409995532 /nfs/dbraw/zinc/99/55/32/409995532.db2.gz NSYGIWRMOXPPQI-VIFPVBQESA-N 0 2 304.331 1.543 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cnn(C)c2)n1 ZINC000354656041 409995535 /nfs/dbraw/zinc/99/55/35/409995535.db2.gz NSYGIWRMOXPPQI-VIFPVBQESA-N 0 2 304.331 1.543 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1C#N ZINC000357994997 410338060 /nfs/dbraw/zinc/33/80/60/410338060.db2.gz NTPPJTDMGGZGMW-KCJUWKMLSA-N 0 2 307.375 1.224 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)c2cncnc2)n1 ZINC000355231140 410391075 /nfs/dbraw/zinc/39/10/75/410391075.db2.gz PNTYJUOCGDGZAF-SECBINFHSA-N 0 2 302.315 1.600 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cncnc2)n1 ZINC000355231140 410391080 /nfs/dbraw/zinc/39/10/80/410391080.db2.gz PNTYJUOCGDGZAF-SECBINFHSA-N 0 2 302.315 1.600 20 30 DDEDLN [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1CCOC2(CCOCC2)C1 ZINC000329746112 410430177 /nfs/dbraw/zinc/43/01/77/410430177.db2.gz YSRQBNKTESEZOH-GFCCVEGCSA-N 0 2 320.393 1.062 20 30 DDEDLN [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1CCOC2(CCOCC2)C1 ZINC000329746112 410430182 /nfs/dbraw/zinc/43/01/82/410430182.db2.gz YSRQBNKTESEZOH-GFCCVEGCSA-N 0 2 320.393 1.062 20 30 DDEDLN Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cc1[N+](=O)[O-] ZINC000352858582 410681945 /nfs/dbraw/zinc/68/19/45/410681945.db2.gz NINULQDHGDLXBA-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1 ZINC000131556712 196179128 /nfs/dbraw/zinc/17/91/28/196179128.db2.gz SXBWTKITEGHKFM-CYBMUJFWSA-N 0 2 318.358 1.517 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)cc1O ZINC000188443093 222014847 /nfs/dbraw/zinc/01/48/47/222014847.db2.gz DNHVUDKGVHXYBY-UHFFFAOYSA-N 0 2 322.280 1.859 20 30 DDEDLN C=CCNC(=O)CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000193038294 222141478 /nfs/dbraw/zinc/14/14/78/222141478.db2.gz HAOZPJJRXLXFQS-UHFFFAOYSA-N 0 2 309.391 1.458 20 30 DDEDLN COC(=O)CN(CC#N)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000194736647 222182113 /nfs/dbraw/zinc/18/21/13/222182113.db2.gz SUZZNGCELXLHKG-UHFFFAOYSA-N 0 2 300.673 1.323 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccn(Cc3ccccc3)n2)[nH]c1C#N ZINC000361383883 418639489 /nfs/dbraw/zinc/63/94/89/418639489.db2.gz AIBIBVHJAWRYGJ-UHFFFAOYSA-N 0 2 317.312 1.650 20 30 DDEDLN Cc1nsc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000367939399 418660276 /nfs/dbraw/zinc/66/02/76/418660276.db2.gz UHVAHEZIOCCOHH-GFCCVEGCSA-N 0 2 305.451 1.904 20 30 DDEDLN N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000424140560 228234359 /nfs/dbraw/zinc/23/43/59/228234359.db2.gz WHTQXDNHRROHRR-HNNXBMFYSA-N 0 2 315.421 1.709 20 30 DDEDLN C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)NCC(F)(F)F ZINC000425232323 228395087 /nfs/dbraw/zinc/39/50/87/228395087.db2.gz WUIZRPZKAFXVER-SECBINFHSA-N 0 2 321.324 1.948 20 30 DDEDLN COCc1csc(NS(=O)(=O)c2cnc(C)c(C#N)c2)n1 ZINC000427790531 419733211 /nfs/dbraw/zinc/73/32/11/419733211.db2.gz TXBVHQKXJBMABO-UHFFFAOYSA-N 0 2 324.387 1.665 20 30 DDEDLN N#Cc1c(NC(=O)c2cc(F)c(O)c(F)c2)n[nH]c1C1CC1 ZINC000436722606 420360482 /nfs/dbraw/zinc/36/04/82/420360482.db2.gz KXTDLELZXJQPOB-UHFFFAOYSA-N 0 2 304.256 2.395 20 30 DDEDLN C=CCC[C@@H](CO)NC(=O)C1=NN(c2ccccc2)CC1=O ZINC000456781450 420543875 /nfs/dbraw/zinc/54/38/75/420543875.db2.gz SNEKVSPRVOJDSD-LBPRGKRZSA-N 0 2 301.346 1.635 20 30 DDEDLN CC1(c2nc(=NC(=O)COc3ccccc3C#N)s[nH]2)CC1 ZINC000529702787 421552565 /nfs/dbraw/zinc/55/25/65/421552565.db2.gz LHVKVUQANXMMJB-UHFFFAOYSA-N 0 2 314.370 1.901 20 30 DDEDLN C=CCC[C@@H](NC(=O)c1cccc2[nH]nnc21)C(=O)OCC ZINC000566840720 421608856 /nfs/dbraw/zinc/60/88/56/421608856.db2.gz YKBGPMCZYIKSRT-GFCCVEGCSA-N 0 2 302.334 1.586 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@]2(C)CO)cc1C#N ZINC000544773867 307719224 /nfs/dbraw/zinc/71/92/24/307719224.db2.gz GIEGJTMAVBGEMI-AWEZNQCLSA-N 0 2 307.375 1.368 20 30 DDEDLN COCC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000565170468 308022707 /nfs/dbraw/zinc/02/27/07/308022707.db2.gz LARMQYOPDLAXQV-YOEHRIQHSA-N 0 2 305.422 1.490 20 30 DDEDLN CC(C)(C)Oc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)nc1 ZINC000294986051 526580960 /nfs/dbraw/zinc/58/09/60/526580960.db2.gz YNLUNUKKXZWZKK-UHFFFAOYSA-N 0 2 310.317 1.978 20 30 DDEDLN C#CCN(CC#N)C(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000491021536 526877801 /nfs/dbraw/zinc/87/78/01/526877801.db2.gz MPGAVZKFQNEWMY-UHFFFAOYSA-N 0 2 310.313 1.185 20 30 DDEDLN C#C[C@H](CC)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000491566599 527360483 /nfs/dbraw/zinc/36/04/83/527360483.db2.gz HLHFBCMGZUTRRX-LLVKDONJSA-N 0 2 315.398 1.847 20 30 DDEDLN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000330051229 527640876 /nfs/dbraw/zinc/64/08/76/527640876.db2.gz NDTZXYNVLWNXEX-VIFPVBQESA-N 0 2 309.370 1.394 20 30 DDEDLN CC(C)[C@H](C#N)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000343637563 528908280 /nfs/dbraw/zinc/90/82/80/528908280.db2.gz BXDCXRSIPWCBBT-LBPRGKRZSA-N 0 2 302.309 1.995 20 30 DDEDLN CN(C(=O)[O-])C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000737939163 602534784 /nfs/dbraw/zinc/53/47/84/602534784.db2.gz MIMUMURXADPUHT-UHFFFAOYSA-N 0 2 316.361 1.571 20 30 DDEDLN CC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833395843 604603636 /nfs/dbraw/zinc/60/36/36/604603636.db2.gz CTSRDFLCWWIPQO-ZDUSSCGKSA-N 0 2 301.346 1.357 20 30 DDEDLN CC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833395843 604603639 /nfs/dbraw/zinc/60/36/39/604603639.db2.gz CTSRDFLCWWIPQO-ZDUSSCGKSA-N 0 2 301.346 1.357 20 30 DDEDLN C[C@H](OCc1ccccc1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000122939441 696726947 /nfs/dbraw/zinc/72/69/47/696726947.db2.gz AEXHWVLOVHNSSB-JSGCOSHPSA-N 0 2 311.341 1.917 20 30 DDEDLN COC(=O)[C@H]1CC[C@H](C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CC1 ZINC000797954249 700034507 /nfs/dbraw/zinc/03/45/07/700034507.db2.gz MKLNBAPIZIAXBU-SRVKXCTJSA-N 0 2 317.345 1.291 20 30 DDEDLN O=[N+]([O-])c1ccc(C=NNC(=S)NC[C@@H]2CCCO2)cc1O ZINC000748131709 700101359 /nfs/dbraw/zinc/10/13/59/700101359.db2.gz MPYCRCJYVQZJSB-JTQLQIEISA-N 0 2 324.362 1.277 20 30 DDEDLN COCCCNC(=S)NN=Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000748132599 700101400 /nfs/dbraw/zinc/10/14/00/700101400.db2.gz WMHSENLYITUYOX-UHFFFAOYSA-N 0 2 312.351 1.135 20 30 DDEDLN C#C[C@@H](OC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)C1CC1 ZINC000152292776 696896819 /nfs/dbraw/zinc/89/68/19/696896819.db2.gz YLSSSBNRPAYGNA-CYBMUJFWSA-N 0 2 314.366 1.791 20 30 DDEDLN C[C@H](OC[C@H]1CCCCO1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000245999252 698341552 /nfs/dbraw/zinc/34/15/52/698341552.db2.gz OEGPKAHLTXEZPL-YNEHKIRRSA-N 0 2 319.361 1.286 20 30 DDEDLN Cn1c2ccccc2nc1[C@H](C#N)C(=O)COC1CCOCC1 ZINC000735395831 699693428 /nfs/dbraw/zinc/69/34/28/699693428.db2.gz FWQWVVYYKMXWNA-CYBMUJFWSA-N 0 2 313.357 1.945 20 30 DDEDLN CC#CCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000756135967 700604913 /nfs/dbraw/zinc/60/49/13/700604913.db2.gz NAPSVPUKLSMSQE-UHFFFAOYSA-N 0 2 315.398 1.848 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CN(C)C(=O)C3CC3)nc21 ZINC000759385744 700749482 /nfs/dbraw/zinc/74/94/82/700749482.db2.gz FEQRDOCOHAWAIW-NSHDSACASA-N 0 2 311.345 1.311 20 30 DDEDLN C[C@H](Oc1ccc(C#N)cc1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770866565 701298384 /nfs/dbraw/zinc/29/83/84/701298384.db2.gz UBJSGHDTZJHLCU-FZMZJTMJSA-N 0 2 322.324 1.651 20 30 DDEDLN Cc1nc2cc[nH]n2c(=O)c1CC(=O)OCCCSCC#N ZINC000805452201 701382612 /nfs/dbraw/zinc/38/26/12/701382612.db2.gz CDUPODJTGHHICL-UHFFFAOYSA-N 0 2 320.374 1.064 20 30 DDEDLN CN1CC[C@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1=O ZINC000813216484 702313753 /nfs/dbraw/zinc/31/37/53/702313753.db2.gz SYXKDGQAKSDYJL-ZJUUUORDSA-N 0 2 311.263 1.755 20 30 DDEDLN CCO[C@@H]1COCC[C@H]1CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000870244165 703971263 /nfs/dbraw/zinc/97/12/63/703971263.db2.gz VLRSVSGRTNZDTI-OUCADQQQSA-N 0 2 319.361 1.143 20 30 DDEDLN CC[C@H](C#N)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000858995184 704782434 /nfs/dbraw/zinc/78/24/34/704782434.db2.gz AQSDMAUKAQXGLL-SSDOTTSWSA-N 0 2 303.240 1.490 20 30 DDEDLN C=CC(C)(C)CCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000832725869 706970806 /nfs/dbraw/zinc/97/08/06/706970806.db2.gz PNRWRVNKNLONEP-UHFFFAOYSA-N 0 2 303.366 1.180 20 30 DDEDLN N#Cc1ccc(F)c(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000834804486 707123627 /nfs/dbraw/zinc/12/36/27/707123627.db2.gz OAMNLUOFAVRQEI-UHFFFAOYSA-N 0 2 315.308 1.541 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1)C(=O)[O-] ZINC000909712985 709592515 /nfs/dbraw/zinc/59/25/15/709592515.db2.gz CMQMZEJRYAPVPV-HZSPNIEDSA-N 0 2 312.410 1.411 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1)C(=O)[O-] ZINC000909712985 709592519 /nfs/dbraw/zinc/59/25/19/709592519.db2.gz CMQMZEJRYAPVPV-HZSPNIEDSA-N 0 2 312.410 1.411 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC000892863249 710514746 /nfs/dbraw/zinc/51/47/46/710514746.db2.gz HVGWWFDJUCOIGS-NWDGAFQWSA-N 0 2 303.362 1.907 20 30 DDEDLN C#CCN(C(=O)NCCCCn1cc[nH+]c1)C1CC[NH+](C)CC1 ZINC000914307760 713374652 /nfs/dbraw/zinc/37/46/52/713374652.db2.gz REAPJTXEXHHYNZ-UHFFFAOYSA-N 0 2 317.437 1.402 20 30 DDEDLN C#Cc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000934929391 714931736 /nfs/dbraw/zinc/93/17/36/714931736.db2.gz XTUWYSZABRTSHW-LBPRGKRZSA-N 0 2 311.345 1.903 20 30 DDEDLN CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)C(C)(C)C#N)C2 ZINC001143398389 734409867 /nfs/dbraw/zinc/40/98/67/734409867.db2.gz LNTBSLVQGVTRSN-UHFFFAOYSA-N 0 2 303.410 1.684 20 30 DDEDLN N#Cc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2nnc[nH]2)c1 ZINC001024715490 736035985 /nfs/dbraw/zinc/03/59/85/736035985.db2.gz GKKTZTVIHQGPOX-OAHLLOKOSA-N 0 2 324.388 1.461 20 30 DDEDLN N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2nnc[nH]2)c1 ZINC001024715490 736035991 /nfs/dbraw/zinc/03/59/91/736035991.db2.gz GKKTZTVIHQGPOX-OAHLLOKOSA-N 0 2 324.388 1.461 20 30 DDEDLN N#CCc1ccccc1NS(=O)(=O)c1cnc(Cl)nc1 ZINC001185047950 744150612 /nfs/dbraw/zinc/15/06/12/744150612.db2.gz ZOEWIQNNJQXKEE-UHFFFAOYSA-N 0 2 308.750 1.997 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2coc(-c3cccs3)n2)c1=O ZINC001189566726 744925023 /nfs/dbraw/zinc/92/50/23/744925023.db2.gz CZCWFHSLRPDQOC-UHFFFAOYSA-N 0 2 300.299 1.173 20 30 DDEDLN C=CCCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1O ZINC001191045919 745421283 /nfs/dbraw/zinc/42/12/83/745421283.db2.gz LXCOVXHEZSDEDJ-UHFFFAOYSA-N 0 2 318.782 1.389 20 30 DDEDLN C[C@H](CCNc1ccc(C#N)nn1)NC(=O)C(F)C(F)(F)F ZINC001106603315 745826354 /nfs/dbraw/zinc/82/63/54/745826354.db2.gz IOUYDDSVSZFOSI-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H](F)C(F)(F)F ZINC001106603315 745826364 /nfs/dbraw/zinc/82/63/64/745826364.db2.gz IOUYDDSVSZFOSI-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN CCOC(=O)c1cnn2ccc(NS(=O)(=O)[C@H](C)C#N)cc12 ZINC001193106930 745980374 /nfs/dbraw/zinc/98/03/74/745980374.db2.gz LMTRNIPVGQHNPL-SECBINFHSA-N 0 2 322.346 1.165 20 30 DDEDLN COc1cc(NS(=O)(=O)c2cccnc2OC)ccc1C#N ZINC001194719088 746449042 /nfs/dbraw/zinc/44/90/42/746449042.db2.gz PPVBLFNBAUVNSB-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)C2CCC(=O)CC2)c(O)cc1F ZINC001194804615 746464216 /nfs/dbraw/zinc/46/42/16/746464216.db2.gz VPHDWSCRHTWHGL-UHFFFAOYSA-N 0 2 312.322 1.656 20 30 DDEDLN N#Cc1cnn2c1ncc(C#N)c2Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199814049 748007337 /nfs/dbraw/zinc/00/73/37/748007337.db2.gz CEKJVTZSOMCVST-UHFFFAOYSA-N 0 2 321.256 1.830 20 30 DDEDLN N#Cc1ccc(NC/C=C\CNC(=O)C(F)C(F)(F)F)nn1 ZINC001107562393 750140257 /nfs/dbraw/zinc/14/02/57/750140257.db2.gz WYTQTGMRQWHUMG-JWXWKVPASA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1ccc(NC/C=C\CNC(=O)[C@@H](F)C(F)(F)F)nn1 ZINC001107562393 750140263 /nfs/dbraw/zinc/14/02/63/750140263.db2.gz WYTQTGMRQWHUMG-JWXWKVPASA-N 0 2 317.246 1.333 20 30 DDEDLN C=C1CCC(C(=O)N[C@@H]2CCCN(Cc3n[nH]c(=O)[nH]3)C2)CC1 ZINC001008414370 752716695 /nfs/dbraw/zinc/71/66/95/752716695.db2.gz YOKVJUZSJSRZFC-CYBMUJFWSA-N 0 2 319.409 1.337 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)C(F)C(F)(F)F)C2)nc1 ZINC001097258652 757025551 /nfs/dbraw/zinc/02/55/51/757025551.db2.gz WLKWFKWWOFHAGI-NGZCFLSTSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C2)nc1 ZINC001097258652 757025560 /nfs/dbraw/zinc/02/55/60/757025560.db2.gz WLKWFKWWOFHAGI-NGZCFLSTSA-N 0 2 316.258 1.913 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[nH]2)C1 ZINC001097805127 757549964 /nfs/dbraw/zinc/54/99/64/757549964.db2.gz ISTCVLMONVMUIJ-UTUOFQBUSA-N 0 2 317.393 1.088 20 30 DDEDLN Cc1cc(C#N)nc(N[C@H](C)CNC(=O)C(F)C(F)(F)F)n1 ZINC001098327612 764303450 /nfs/dbraw/zinc/30/34/50/764303450.db2.gz MDFUGUORICMBIP-VXNVDRBHSA-N 0 2 319.262 1.474 20 30 DDEDLN Cc1cc(C#N)nc(N[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F)n1 ZINC001098327612 764303453 /nfs/dbraw/zinc/30/34/53/764303453.db2.gz MDFUGUORICMBIP-VXNVDRBHSA-N 0 2 319.262 1.474 20 30 DDEDLN Cc1cc(NCCCNC(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001094846773 776486322 /nfs/dbraw/zinc/48/63/22/776486322.db2.gz ZZWGYAZZSVOBHG-NSHDSACASA-N 0 2 318.274 1.502 20 30 DDEDLN Cc1cc(NCCCNC(=O)[C@H](F)C(F)(F)F)c(C#N)cn1 ZINC001094846773 776486324 /nfs/dbraw/zinc/48/63/24/776486324.db2.gz ZZWGYAZZSVOBHG-NSHDSACASA-N 0 2 318.274 1.502 20 30 DDEDLN Cc1cc(C#N)nc(NCCN(C)C(=O)C(F)C(F)(F)F)n1 ZINC001102003470 777786168 /nfs/dbraw/zinc/78/61/68/777786168.db2.gz ZLAOPIRCZWNZOZ-VIFPVBQESA-N 0 2 319.262 1.427 20 30 DDEDLN Cc1cc(C#N)nc(NCCN(C)C(=O)[C@H](F)C(F)(F)F)n1 ZINC001102003470 777786174 /nfs/dbraw/zinc/78/61/74/777786174.db2.gz ZLAOPIRCZWNZOZ-VIFPVBQESA-N 0 2 319.262 1.427 20 30 DDEDLN Cn1c(=O)[nH]c(N2CCc3c2cccc3Cl)c(C#N)c1=O ZINC001412882551 855750466 /nfs/dbraw/zinc/75/04/66/855750466.db2.gz SESRAJZZKOHLPU-UHFFFAOYSA-N 0 2 302.721 1.293 20 30 DDEDLN CC#CC[N@H+]1CCC2(CN(C(=O)c3cc(-c4ccoc4)[nH]n3)C2)C1 ZINC001073432056 858330394 /nfs/dbraw/zinc/33/03/94/858330394.db2.gz TZJXGZBZZWYJDR-UHFFFAOYSA-N 0 2 324.384 1.841 20 30 DDEDLN Cn1c(=O)[nH]c(NCC[C@@]2(C)C[C@]2(F)Cl)c(C#N)c1=O ZINC001337906541 869682599 /nfs/dbraw/zinc/68/25/99/869682599.db2.gz JLUHMASGBRBRMK-NWDGAFQWSA-N 0 2 300.721 1.062 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCO[C@H](C)C1 ZINC001339868800 870748038 /nfs/dbraw/zinc/74/80/38/870748038.db2.gz YUOKEHVPQMEKSZ-MRVPVSSYSA-N 0 2 309.761 1.128 20 30 DDEDLN C=C(Cl)C[NH+]1CCC(CNC(=O)CCc2nnc[nH]2)CC1 ZINC001222763057 880688356 /nfs/dbraw/zinc/68/83/56/880688356.db2.gz AQJKBNVZOFJYLU-UHFFFAOYSA-N 0 2 311.817 1.318 20 30 DDEDLN CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1nc(OC)cc(=O)[nH]1 ZINC001228918424 883728648 /nfs/dbraw/zinc/72/86/48/883728648.db2.gz PHAQVAJCMPKRAD-JTQLQIEISA-N 0 2 324.409 1.382 20 30 DDEDLN C=C[C@@H]1O[C@H](Oc2nc(OC)cc(=O)[nH]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001228920241 883729106 /nfs/dbraw/zinc/72/91/06/883729106.db2.gz QPNBRHAGXJUSLW-ZZKLTDFHSA-N 0 2 310.306 1.001 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC001363217021 885736255 /nfs/dbraw/zinc/73/62/55/885736255.db2.gz FDUWXHBRGCKDRQ-UHFFFAOYSA-N 0 2 308.301 1.692 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccnn1[C@H]1CCOC1 ZINC001365043083 889964833 /nfs/dbraw/zinc/96/48/33/889964833.db2.gz DTKGMDWKZSMMJL-NSHDSACASA-N 0 2 313.317 1.378 20 30 DDEDLN CN(CCNC(=O)C(F)C(F)(F)F)C(=O)CC(F)(F)F ZINC001386931614 892025749 /nfs/dbraw/zinc/02/57/49/892025749.db2.gz ATVVIDLSYNPJEB-ZCFIWIBFSA-N 0 2 312.185 1.414 20 30 DDEDLN CN(CCNC(=O)[C@@H](F)C(F)(F)F)C(=O)CC(F)(F)F ZINC001386931614 892025764 /nfs/dbraw/zinc/02/57/64/892025764.db2.gz ATVVIDLSYNPJEB-ZCFIWIBFSA-N 0 2 312.185 1.414 20 30 DDEDLN C[C@H](C(=O)NC1CN(C(=O)C(F)C(F)(F)F)C1)C(F)(F)F ZINC001387787844 893860651 /nfs/dbraw/zinc/86/06/51/893860651.db2.gz AVIYZCFWKMZQRM-XINAWCOVSA-N 0 2 324.196 1.412 20 30 DDEDLN C[C@H](C(=O)NC1CN(C(=O)[C@H](F)C(F)(F)F)C1)C(F)(F)F ZINC001387787844 893860664 /nfs/dbraw/zinc/86/06/64/893860664.db2.gz AVIYZCFWKMZQRM-XINAWCOVSA-N 0 2 324.196 1.412 20 30 DDEDLN CC(=O)Nc1cncc(NS(=O)(=O)c2ccccc2C#N)c1 ZINC001258215123 898111561 /nfs/dbraw/zinc/11/15/61/898111561.db2.gz ZXWMZVCAMFTVFJ-UHFFFAOYSA-N 0 2 316.342 1.712 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2F)CCC1=O ZINC001259455778 898678017 /nfs/dbraw/zinc/67/80/17/898678017.db2.gz IGAUBZNXVJRGRP-MRVPVSSYSA-N 0 2 316.741 1.582 20 30 DDEDLN CCOC(=O)C(C#N)NS(=O)(=O)c1cc(Cl)ccc1F ZINC001259461327 898679608 /nfs/dbraw/zinc/67/96/08/898679608.db2.gz OAKVPIORDOURLN-VIFPVBQESA-N 0 2 320.729 1.213 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1cc(Cl)ccc1F ZINC001259461327 898679617 /nfs/dbraw/zinc/67/96/17/898679617.db2.gz OAKVPIORDOURLN-VIFPVBQESA-N 0 2 320.729 1.213 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)CCc2cccc(F)c2)CCC1=O ZINC001259771021 898791468 /nfs/dbraw/zinc/79/14/68/898791468.db2.gz YLXLKZJRXRGSPG-GFCCVEGCSA-N 0 2 310.350 1.113 20 30 DDEDLN COCCS(=O)(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001259966331 898991311 /nfs/dbraw/zinc/99/13/11/898991311.db2.gz XBQYDEOBFMFDCU-UHFFFAOYSA-N 0 2 306.347 1.132 20 30 DDEDLN C=CCOC[C@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)C(=O)[O-] ZINC001262157627 899990738 /nfs/dbraw/zinc/99/07/38/899990738.db2.gz KMEDYAIVHVLROX-NWDGAFQWSA-N 0 2 312.391 1.740 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N(C)CC1(C)COC1 ZINC001262990880 900461303 /nfs/dbraw/zinc/46/13/03/900461303.db2.gz RRQICBBFPRUAGB-UHFFFAOYSA-N 0 2 323.788 1.375 20 30 DDEDLN N#Cc1cc(C(=O)NCCCNC(=O)C(F)C(F)(F)F)c[nH]1 ZINC001283227729 906940807 /nfs/dbraw/zinc/94/08/07/906940807.db2.gz HOYNVERDXONJNC-SECBINFHSA-N 0 2 320.246 1.023 20 30 DDEDLN N#Cc1cc(C(=O)NCCCNC(=O)[C@@H](F)C(F)(F)F)c[nH]1 ZINC001283227729 906940820 /nfs/dbraw/zinc/94/08/20/906940820.db2.gz HOYNVERDXONJNC-SECBINFHSA-N 0 2 320.246 1.023 20 30 DDEDLN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)C(F)C(F)(F)F ZINC001372832068 908326211 /nfs/dbraw/zinc/32/62/11/908326211.db2.gz AAAGYIQYIYQTOW-HZGVNTEJSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@@H](F)C(F)(F)F ZINC001372832068 908326230 /nfs/dbraw/zinc/32/62/30/908326230.db2.gz AAAGYIQYIYQTOW-HZGVNTEJSA-N 0 2 320.246 1.021 20 30 DDEDLN C=CCOCC(=O)N(C)CCCNC(=O)C(F)C(F)(F)F ZINC001294127703 914930113 /nfs/dbraw/zinc/93/01/13/914930113.db2.gz QTXZDSVFYJMTOM-JTQLQIEISA-N 0 2 314.279 1.054 20 30 DDEDLN C=CCOCC(=O)N(C)CCCNC(=O)[C@H](F)C(F)(F)F ZINC001294127703 914930144 /nfs/dbraw/zinc/93/01/44/914930144.db2.gz QTXZDSVFYJMTOM-JTQLQIEISA-N 0 2 314.279 1.054 20 30 DDEDLN CC[C@H](CS(=O)(=O)Nc1nc2n(c1C#N)CCS2)OC ZINC000424209923 529405434 /nfs/dbraw/zinc/40/54/34/529405434.db2.gz CCJINXBDAQUNHO-MRVPVSSYSA-N 0 2 316.408 1.027 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2C(C)=O)cc1C#N ZINC000615585196 362347736 /nfs/dbraw/zinc/34/77/36/362347736.db2.gz IYRUQMICDUHCIK-LBPRGKRZSA-N 0 2 319.386 1.964 20 30 DDEDLN COCCN(CC#N)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000457208506 232014067 /nfs/dbraw/zinc/01/40/67/232014067.db2.gz XEHDGHJMPNMFNC-UHFFFAOYSA-N 0 2 300.318 1.190 20 30 DDEDLN CN=C1NC(=O)C(CC(=O)Nc2ccc(C(C)=O)cc2)S1 ZINC000021883922 352175110 /nfs/dbraw/zinc/17/51/10/352175110.db2.gz VVRLWTCAMVBACL-LLVKDONJSA-N 0 2 305.359 1.435 20 30 DDEDLN CN=C1NC(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)S1 ZINC000021883922 352175112 /nfs/dbraw/zinc/17/51/12/352175112.db2.gz VVRLWTCAMVBACL-LLVKDONJSA-N 0 2 305.359 1.435 20 30 DDEDLN Cc1cn(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)nc1C(F)(F)F ZINC000600815667 358322678 /nfs/dbraw/zinc/32/26/78/358322678.db2.gz BFZZPXBUEDYDSN-UHFFFAOYSA-N 0 2 323.238 1.315 20 30 DDEDLN C[C@H](CC#N)n1[nH]c(CN2C(=O)c3ccccc3C2=O)cc1=O ZINC000601936140 358744935 /nfs/dbraw/zinc/74/49/35/358744935.db2.gz PXGUYDBMAVDXQD-SNVBAGLBSA-N 0 2 310.313 1.173 20 30 DDEDLN CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H](C)C#N)C2)o1 ZINC000610726856 360518660 /nfs/dbraw/zinc/51/86/60/360518660.db2.gz RUQPSCUREWYOSX-STQMWFEESA-N 0 2 304.394 1.990 20 30 DDEDLN Cc1ccc(S(=O)(=O)Nc2nc3n(c2C#N)CCS3)cc1 ZINC000359077954 299321828 /nfs/dbraw/zinc/32/18/28/299321828.db2.gz SMXQROUPMVDPRY-UHFFFAOYSA-N 0 2 320.399 1.970 20 30 DDEDLN CCOC(=O)CCN(C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000194651630 201269190 /nfs/dbraw/zinc/26/91/90/201269190.db2.gz OXWWMKRFHVBKDP-UHFFFAOYSA-N 0 2 307.350 1.592 20 30 DDEDLN C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000026274444 248183484 /nfs/dbraw/zinc/18/34/84/248183484.db2.gz XIRWVBUTRYOZAI-VIFPVBQESA-N 0 2 306.285 1.431 20 30 DDEDLN N#Cc1nc(NC(=O)Cn2ccc3ccccc3c2=O)[nH]c1C#N ZINC000579553327 422787836 /nfs/dbraw/zinc/78/78/36/422787836.db2.gz KRCZNMHGZJRBCD-UHFFFAOYSA-N 0 2 318.296 1.107 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc3c(c(Cl)c2)OCO3)[nH]c1C#N ZINC000045580563 407046447 /nfs/dbraw/zinc/04/64/47/407046447.db2.gz AATRCDNCONTVRU-UHFFFAOYSA-N 0 2 315.676 1.787 20 30 DDEDLN Cc1nn(C)c2sc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc12 ZINC000175293619 408096725 /nfs/dbraw/zinc/09/67/25/408096725.db2.gz KXCYFFHOEVCOCV-UHFFFAOYSA-N 0 2 311.330 1.662 20 30 DDEDLN N#Cc1cnc2c(F)ccc(Cl)c2c1NCc1n[nH]c(=O)[nH]1 ZINC000156443446 408253733 /nfs/dbraw/zinc/25/37/33/408253733.db2.gz WARNMPYQNNAATP-UHFFFAOYSA-N 0 2 318.699 1.922 20 30 DDEDLN CC(C)Cc1nnc(NS(=O)(=O)c2ccc(C#N)nc2)s1 ZINC000176585521 408399952 /nfs/dbraw/zinc/39/99/52/408399952.db2.gz OSKUMZSCMMEJLR-UHFFFAOYSA-N 0 2 323.403 1.804 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc(OCC(F)F)ccn2)[nH]c1C#N ZINC000183501797 408427122 /nfs/dbraw/zinc/42/71/22/408427122.db2.gz JMNSWPPZKXXBQT-UHFFFAOYSA-N 0 2 318.243 1.444 20 30 DDEDLN CCOC(=O)c1[nH]c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c1O ZINC000278354321 409078594 /nfs/dbraw/zinc/07/85/94/409078594.db2.gz ZNLBSYCZTONIFD-GFCCVEGCSA-N 0 2 315.329 1.476 20 30 DDEDLN COC(=O)c1ccsc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000346412146 409958534 /nfs/dbraw/zinc/95/85/34/409958534.db2.gz QRUGKBGLAGBYKO-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN C[C@@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)N1CCOCC1 ZINC000329089980 410094434 /nfs/dbraw/zinc/09/44/34/410094434.db2.gz ITVJQAAEKOUJRZ-JTQLQIEISA-N 0 2 317.349 1.486 20 30 DDEDLN Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C2 ZINC000329547959 410353786 /nfs/dbraw/zinc/35/37/86/410353786.db2.gz DTMQQKXFWZYPGV-IPYPFGDCSA-N 0 2 320.437 1.820 20 30 DDEDLN N#CCN1CCC(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000353286168 410904262 /nfs/dbraw/zinc/90/42/62/410904262.db2.gz LSSSUPLTWPNTSU-UHFFFAOYSA-N 0 2 318.333 1.266 20 30 DDEDLN C=C(C)[C@H]1OCC[C@@H]1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000362827106 418760048 /nfs/dbraw/zinc/76/00/48/418760048.db2.gz RWOSQHKTJLBHDR-NWDGAFQWSA-N 0 2 316.386 1.942 20 30 DDEDLN Cc1cc(C(=O)NCC2(CC#N)CC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000431147207 229010864 /nfs/dbraw/zinc/01/08/64/229010864.db2.gz BHIPGOMAHBGUSJ-UHFFFAOYSA-N 0 2 313.317 1.168 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cnn4cccnc34)nc21 ZINC000429566451 420027750 /nfs/dbraw/zinc/02/77/50/420027750.db2.gz KCFPSXXJQKRDBQ-JTQLQIEISA-N 0 2 317.312 1.799 20 30 DDEDLN C=CCn1cc(CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)nn1 ZINC000425650633 420428135 /nfs/dbraw/zinc/42/81/35/420428135.db2.gz LQKXRTQOFZUNQS-UHFFFAOYSA-N 0 2 321.410 1.357 20 30 DDEDLN CC1(c2nc(=NC(=O)CNc3ccc(C#N)cc3)s[nH]2)CC1 ZINC000529703836 421553507 /nfs/dbraw/zinc/55/35/07/421553507.db2.gz GVYKDRYEFFKOCB-UHFFFAOYSA-N 0 2 313.386 1.934 20 30 DDEDLN CC[C@H](C)c1ccc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)cc1 ZINC000573490138 304596561 /nfs/dbraw/zinc/59/65/61/304596561.db2.gz VZZOHYDYGUNAJA-NSHDSACASA-N 0 2 311.341 1.805 20 30 DDEDLN Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000563193508 307960007 /nfs/dbraw/zinc/96/00/07/307960007.db2.gz RJPTZSMEPLHXTG-SECBINFHSA-N 0 2 300.322 1.038 20 30 DDEDLN CCC[C@H](C)[C@@H](CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000576233944 308299745 /nfs/dbraw/zinc/29/97/45/308299745.db2.gz OMNDQDOWNOUTLA-JOYOIKCWSA-N 0 2 323.418 1.908 20 30 DDEDLN CCO[C@H](C)c1nc(Cn2c(=O)[nH]cc(C#N)c2=O)cs1 ZINC000577492478 308392165 /nfs/dbraw/zinc/39/21/65/308392165.db2.gz PYEISZJYFHINSH-MRVPVSSYSA-N 0 2 306.347 1.011 20 30 DDEDLN N#CC[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])C1CCCC1 ZINC000739087155 600439141 /nfs/dbraw/zinc/43/91/41/600439141.db2.gz WQCHNLAWQNPRMI-UVTDQMKNSA-N 0 2 323.418 1.646 20 30 DDEDLN N#CC[N@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])C1CCCC1 ZINC000739087155 600439144 /nfs/dbraw/zinc/43/91/44/600439144.db2.gz WQCHNLAWQNPRMI-UVTDQMKNSA-N 0 2 323.418 1.646 20 30 DDEDLN N#CCCN(C(=O)C[N@H+]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000821320783 601577167 /nfs/dbraw/zinc/57/71/67/601577167.db2.gz YIOKOMJFPVHTFT-OAHLLOKOSA-N 0 2 315.373 1.872 20 30 DDEDLN N#CCCN(C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000821320783 601577168 /nfs/dbraw/zinc/57/71/68/601577168.db2.gz YIOKOMJFPVHTFT-OAHLLOKOSA-N 0 2 315.373 1.872 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000739585919 601982202 /nfs/dbraw/zinc/98/22/02/601982202.db2.gz QZPXZGRHIFVIRT-CQSZACIVSA-N 0 2 316.361 1.571 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000739585919 601982204 /nfs/dbraw/zinc/98/22/04/601982204.db2.gz QZPXZGRHIFVIRT-CQSZACIVSA-N 0 2 316.361 1.571 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@@H]1CC(=O)[O-] ZINC000833066131 604468887 /nfs/dbraw/zinc/46/88/87/604468887.db2.gz OVHZDPKEKCUSRC-SNVBAGLBSA-N 0 2 300.322 1.183 20 30 DDEDLN COc1ccccc1CCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000122888210 696726129 /nfs/dbraw/zinc/72/61/29/696726129.db2.gz HVHGOKWNFGVONS-CYBMUJFWSA-N 0 2 311.341 1.953 20 30 DDEDLN Cn1c2ccccc2nc1[C@H](C#N)C(=O)COC[C@@H]1CCCO1 ZINC000113650843 696657991 /nfs/dbraw/zinc/65/79/91/696657991.db2.gz NAWSSGHZZHMVAR-QWHCGFSZSA-N 0 2 313.357 1.945 20 30 DDEDLN N#C[C@@H](OC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C1CCCCC1 ZINC000776385425 698101666 /nfs/dbraw/zinc/10/16/66/698101666.db2.gz DWYKGOKWEYSSHA-GFCCVEGCSA-N 0 2 315.333 1.087 20 30 DDEDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC[C@](F)(C#N)C1 ZINC000790045189 699437468 /nfs/dbraw/zinc/43/74/68/699437468.db2.gz BEBSAYDVDSXNEF-KWQFWETISA-N 0 2 309.263 1.154 20 30 DDEDLN Cc1cccc2[nH]c([C@@H](C#N)C(=O)COCc3ccnn3C)nc21 ZINC000793156555 699735863 /nfs/dbraw/zinc/73/58/63/699735863.db2.gz QOSRXIDAEQTJGA-ZDUSSCGKSA-N 0 2 323.356 1.998 20 30 DDEDLN Cc1cccc2nc([C@@H](C#N)C(=O)COCc3ccnn3C)[nH]c21 ZINC000793156555 699735866 /nfs/dbraw/zinc/73/58/66/699735866.db2.gz QOSRXIDAEQTJGA-ZDUSSCGKSA-N 0 2 323.356 1.998 20 30 DDEDLN CO[C@@H]1CCC[C@@H](CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000796774015 699951990 /nfs/dbraw/zinc/95/19/90/699951990.db2.gz GJMQQKIJCDXVII-JHJVBQTASA-N 0 2 303.362 1.907 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2cc(F)cc(Cl)c2)cn1 ZINC000755410048 700564848 /nfs/dbraw/zinc/56/48/48/700564848.db2.gz JHIAFDTYZRHBQA-UHFFFAOYSA-N 0 2 314.729 2.000 20 30 DDEDLN CC(N=Nc1ncnc2[nH]cnc21)c1cc([N+](=O)[O-])ccc1O ZINC000758106373 700683955 /nfs/dbraw/zinc/68/39/55/700683955.db2.gz IRHDBJBUTKDIRI-UHFFFAOYSA-N 0 2 313.277 1.803 20 30 DDEDLN COc1ncc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1C(N)=O ZINC000761787305 700869482 /nfs/dbraw/zinc/86/94/82/700869482.db2.gz QBZWAXZVWDOMTI-UHFFFAOYSA-N 0 2 316.273 1.554 20 30 DDEDLN C#Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)nc1 ZINC000803411188 701112085 /nfs/dbraw/zinc/11/20/85/701112085.db2.gz LBFFKRZMSBJHCM-UHFFFAOYSA-N 0 2 305.297 1.806 20 30 DDEDLN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(F)C(F)(F)F ZINC000815880995 701956766 /nfs/dbraw/zinc/95/67/66/701956766.db2.gz ZFYDWWFCCHHBOR-MRVPVSSYSA-N 0 2 307.251 1.155 20 30 DDEDLN CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H](F)C(F)(F)F ZINC000815880995 701956769 /nfs/dbraw/zinc/95/67/69/701956769.db2.gz ZFYDWWFCCHHBOR-MRVPVSSYSA-N 0 2 307.251 1.155 20 30 DDEDLN N#C[C@@H](C(=O)CN1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000813214541 702313273 /nfs/dbraw/zinc/31/32/73/702313273.db2.gz ZIHFXAUUGQXZLD-LLVKDONJSA-N 0 2 313.279 1.609 20 30 DDEDLN CCc1ccc(C#CC(=O)NCCc2n[nH]c(=S)o2)cc1 ZINC000841423250 702444405 /nfs/dbraw/zinc/44/44/05/702444405.db2.gz XAEIMIDEEYJLKC-UHFFFAOYSA-N 0 2 301.371 1.631 20 30 DDEDLN C[C@@H](CC#N)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000858919073 704772282 /nfs/dbraw/zinc/77/22/82/704772282.db2.gz CERAQIBCEZCLKX-ZETCQYMHSA-N 0 2 303.240 1.490 20 30 DDEDLN CC[C@@H](C#N)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000858995185 704782273 /nfs/dbraw/zinc/78/22/73/704782273.db2.gz AQSDMAUKAQXGLL-ZETCQYMHSA-N 0 2 303.240 1.490 20 30 DDEDLN N#Cc1cc(F)cc(OCC(=O)CCNC(=O)C(F)(F)F)c1 ZINC000865368312 706414821 /nfs/dbraw/zinc/41/48/21/706414821.db2.gz QTRWLYSBPULILZ-UHFFFAOYSA-N 0 2 318.226 1.714 20 30 DDEDLN C=C(C)C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)[O-] ZINC000909081845 712933615 /nfs/dbraw/zinc/93/36/15/712933615.db2.gz HXQSVYLUZZABHD-CHWSQXEVSA-N 0 2 318.377 1.379 20 30 DDEDLN C=C(Cl)C[C@H]([NH3+])C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000901063729 709908734 /nfs/dbraw/zinc/90/87/34/709908734.db2.gz SXJLGDPDAOVDJY-RCWTZXSCSA-N 0 2 306.815 1.091 20 30 DDEDLN C#CCCCC(=O)N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000911173002 710668690 /nfs/dbraw/zinc/66/86/90/710668690.db2.gz WTHOWDYMYVMOJZ-UHFFFAOYSA-N 0 2 301.346 1.232 20 30 DDEDLN CNC(=O)CC1SC(=Nc2ccccc2)N(CCOC)C1=O ZINC000935538172 715080824 /nfs/dbraw/zinc/08/08/24/715080824.db2.gz MMJFIEFHDIWLNG-GFCCVEGCSA-N 0 2 321.402 1.401 20 30 DDEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCOC)C1=O ZINC000935538172 715080828 /nfs/dbraw/zinc/08/08/28/715080828.db2.gz MMJFIEFHDIWLNG-GFCCVEGCSA-N 0 2 321.402 1.401 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001023698134 735406010 /nfs/dbraw/zinc/40/60/10/735406010.db2.gz RBAJIFOJBUMGFZ-OAHLLOKOSA-N 0 2 323.400 1.342 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)CNc1cncc(C#N)n1 ZINC001104237427 732738304 /nfs/dbraw/zinc/73/83/04/732738304.db2.gz XYXOMGDJBRFRCS-XCBNKYQSSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)CNc1cncc(C#N)n1 ZINC001104237427 732738309 /nfs/dbraw/zinc/73/83/09/732738309.db2.gz XYXOMGDJBRFRCS-XCBNKYQSSA-N 0 2 319.262 1.413 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3nc[nH]n3)C[C@@H]2C1 ZINC001087925935 740860514 /nfs/dbraw/zinc/86/05/14/740860514.db2.gz KKMREWMHWSZEKP-OLZOCXBDSA-N 0 2 323.828 1.270 20 30 DDEDLN CN(CCN(C)c1cncc(C#N)n1)C(=O)C(F)C(F)(F)F ZINC001105589274 742133576 /nfs/dbraw/zinc/13/35/76/742133576.db2.gz NGTUNQRHHSJXQE-JTQLQIEISA-N 0 2 319.262 1.143 20 30 DDEDLN CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@H](F)C(F)(F)F ZINC001105589274 742133577 /nfs/dbraw/zinc/13/35/77/742133577.db2.gz NGTUNQRHHSJXQE-JTQLQIEISA-N 0 2 319.262 1.143 20 30 DDEDLN C#Cc1nccnc1NS(=O)(=O)Cc1cccc(F)c1F ZINC001189416812 744892390 /nfs/dbraw/zinc/89/23/90/744892390.db2.gz BWJAGTCMBIWMIN-UHFFFAOYSA-N 0 2 309.297 1.678 20 30 DDEDLN N#Cc1c(F)c(F)cc(NS(=O)(=O)c2ncc[nH]2)c1F ZINC001190737377 745313385 /nfs/dbraw/zinc/31/33/85/745313385.db2.gz PVEMKQUFOFXGDO-UHFFFAOYSA-N 0 2 302.237 1.499 20 30 DDEDLN CCOC(=O)c1cc(Cl)cc(NS(=O)(=O)CC#N)c1 ZINC001192982261 745940848 /nfs/dbraw/zinc/94/08/48/745940848.db2.gz MLRPJBUKTUAKCT-UHFFFAOYSA-N 0 2 302.739 1.782 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ncc(F)s2)c1 ZINC001193639730 746157868 /nfs/dbraw/zinc/15/78/68/746157868.db2.gz BOHWXWWTDTVZTH-UHFFFAOYSA-N 0 2 313.335 1.963 20 30 DDEDLN CCOC(=O)c1nc(NC(=O)c2cccc(C#N)c2O)c[nH]1 ZINC001193642936 746159739 /nfs/dbraw/zinc/15/97/39/746159739.db2.gz TXQAFNCTCBGXKT-UHFFFAOYSA-N 0 2 300.274 1.416 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994270245 746556005 /nfs/dbraw/zinc/55/60/05/746556005.db2.gz QMLJCZWUWAXYJI-ZFWWWQNUSA-N 0 2 300.406 1.364 20 30 DDEDLN C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033211538 748943146 /nfs/dbraw/zinc/94/31/46/748943146.db2.gz JZIHIZUBTNULHT-LSDHHAIUSA-N 0 2 302.422 1.554 20 30 DDEDLN N#Cc1ccc(NC/C=C/CNC(=O)C(F)C(F)(F)F)cn1 ZINC001107560898 750138243 /nfs/dbraw/zinc/13/82/43/750138243.db2.gz DTJFHEPBGBGDTA-FMBMQGQPSA-N 0 2 316.258 1.938 20 30 DDEDLN N#Cc1ccc(NC/C=C/CNC(=O)[C@@H](F)C(F)(F)F)cn1 ZINC001107560898 750138252 /nfs/dbraw/zinc/13/82/52/750138252.db2.gz DTJFHEPBGBGDTA-FMBMQGQPSA-N 0 2 316.258 1.938 20 30 DDEDLN CCN(C(=O)C(F)C(F)(F)F)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001079901840 755624764 /nfs/dbraw/zinc/62/47/64/755624764.db2.gz YIJTXWKDWKISEW-CBAPKCEASA-N 0 2 309.263 1.106 20 30 DDEDLN CCN(C(=O)[C@H](F)C(F)(F)F)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001079901840 755624765 /nfs/dbraw/zinc/62/47/65/755624765.db2.gz YIJTXWKDWKISEW-CBAPKCEASA-N 0 2 309.263 1.106 20 30 DDEDLN C=C1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CC1 ZINC001080391515 755878400 /nfs/dbraw/zinc/87/84/00/755878400.db2.gz LIYIOAHKFDLVRN-DGCLKSJQSA-N 0 2 319.409 1.193 20 30 DDEDLN C=C1CCC(C(=O)N[C@@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CC1 ZINC001080391515 755878406 /nfs/dbraw/zinc/87/84/06/755878406.db2.gz LIYIOAHKFDLVRN-DGCLKSJQSA-N 0 2 319.409 1.193 20 30 DDEDLN N#Cc1ccc(N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)nc1 ZINC001056803927 761443043 /nfs/dbraw/zinc/44/30/43/761443043.db2.gz HILFJQLTDPAAMZ-MWLCHTKSSA-N 0 2 316.258 1.866 20 30 DDEDLN N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)nc1 ZINC001056803927 761443050 /nfs/dbraw/zinc/44/30/50/761443050.db2.gz HILFJQLTDPAAMZ-MWLCHTKSSA-N 0 2 316.258 1.866 20 30 DDEDLN CN(CCCN(C)C(=O)C(F)C(F)(F)F)C(=O)C#CC1CC1 ZINC001067380884 763533817 /nfs/dbraw/zinc/53/38/17/763533817.db2.gz XHBMYNJTOUFZLR-LBPRGKRZSA-N 0 2 322.302 1.607 20 30 DDEDLN CN(CCCN(C)C(=O)[C@H](F)C(F)(F)F)C(=O)C#CC1CC1 ZINC001067380884 763533825 /nfs/dbraw/zinc/53/38/25/763533825.db2.gz XHBMYNJTOUFZLR-LBPRGKRZSA-N 0 2 322.302 1.607 20 30 DDEDLN CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446067 770843606 /nfs/dbraw/zinc/84/36/06/770843606.db2.gz GRHVNUHMXOLCJB-GJZGRUSLSA-N 0 2 300.406 1.431 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)cn1 ZINC001100748016 776496515 /nfs/dbraw/zinc/49/65/15/776496515.db2.gz MJQYAJJXHZNOCP-LLVKDONJSA-N 0 2 318.274 1.796 20 30 DDEDLN CCN(CCNC(=O)[C@@H](F)C(F)(F)F)c1ccc(C#N)cn1 ZINC001100748016 776496517 /nfs/dbraw/zinc/49/65/17/776496517.db2.gz MJQYAJJXHZNOCP-LLVKDONJSA-N 0 2 318.274 1.796 20 30 DDEDLN O=C(C#CC1CC1)N1CCC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001283461255 837483064 /nfs/dbraw/zinc/48/30/64/837483064.db2.gz ATJHDWCBFQYXPN-JQWIXIFHSA-N 0 2 320.286 1.407 20 30 DDEDLN O=C(C#CC1CC1)N1CCC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001283461255 837483079 /nfs/dbraw/zinc/48/30/79/837483079.db2.gz ATJHDWCBFQYXPN-JQWIXIFHSA-N 0 2 320.286 1.407 20 30 DDEDLN C/C(=C\c1ccccc1)CN(C)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001412885349 855753882 /nfs/dbraw/zinc/75/38/82/855753882.db2.gz VFYUZALRZQJZOE-FMIVXFBMSA-N 0 2 310.357 1.485 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CC1(C#N)CCOCC1 ZINC001122655506 858929919 /nfs/dbraw/zinc/92/99/19/858929919.db2.gz NPKOLBBHRKNIPZ-NSHDSACASA-N 0 2 300.318 1.022 20 30 DDEDLN COc1cncnc1NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC001361481716 881737872 /nfs/dbraw/zinc/73/78/72/881737872.db2.gz VGNGBEPEOQNLMA-UHFFFAOYSA-N 0 2 317.330 1.432 20 30 DDEDLN N#Cc1c[nH]c(Cl)nc1=Nc1cccn(CC2CC2)c1=O ZINC001158527021 864705686 /nfs/dbraw/zinc/70/56/86/864705686.db2.gz DPXOISNIBDBUKG-UHFFFAOYSA-N 0 2 301.737 1.739 20 30 DDEDLN CCC1=C(Oc2[nH]c(=O)nnc2Br)C(=O)[C@H](C)O1 ZINC001227064426 882806430 /nfs/dbraw/zinc/80/64/30/882806430.db2.gz PBZIKRBBRSFJOH-BYPYZUCNSA-N 0 2 316.111 1.328 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CC=CCC1 ZINC001355888969 878766407 /nfs/dbraw/zinc/76/64/07/878766407.db2.gz TYTUVWBAGDSBKP-UHFFFAOYSA-N 0 2 300.366 1.819 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1(CNC(=O)c2[nH]ncc2F)CCCCC1 ZINC001381058799 880934900 /nfs/dbraw/zinc/93/49/00/880934900.db2.gz ALQPPAVREUYWKM-JTQLQIEISA-N 0 2 321.356 1.257 20 30 DDEDLN Cc1cccc(Cl)c1NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O ZINC001363185530 885662440 /nfs/dbraw/zinc/66/24/40/885662440.db2.gz QCBRWKFZXDTBAF-UHFFFAOYSA-N 0 2 318.720 1.009 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1cc(F)ccc1CO ZINC001258283082 898127400 /nfs/dbraw/zinc/12/74/00/898127400.db2.gz IVLZVYHMKDDTQV-UHFFFAOYSA-N 0 2 306.318 1.990 20 30 DDEDLN C#Cc1cc(=NS(=O)(=O)c2ccc(C(C)=O)cc2)cc[nH]1 ZINC001259171817 898504512 /nfs/dbraw/zinc/50/45/12/898504512.db2.gz QACLOQRLESHUJT-UHFFFAOYSA-N 0 2 300.339 1.488 20 30 DDEDLN CC(C)C#CC(=O)N(C)CCCNC(=O)C(F)C(F)(F)F ZINC001283563819 907601973 /nfs/dbraw/zinc/60/19/73/907601973.db2.gz UMKSOKXHHZBTCL-LLVKDONJSA-N 0 2 310.291 1.511 20 30 DDEDLN CC(C)C#CC(=O)N(C)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001283563819 907601987 /nfs/dbraw/zinc/60/19/87/907601987.db2.gz UMKSOKXHHZBTCL-LLVKDONJSA-N 0 2 310.291 1.511 20 30 DDEDLN C#CCCCCC(=O)N1CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001285862924 911324268 /nfs/dbraw/zinc/32/42/68/911324268.db2.gz PAGOLJVJIYDZOW-ZYHUDNBSSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCCC(=O)N1CC[C@@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001285862924 911324287 /nfs/dbraw/zinc/32/42/87/911324287.db2.gz PAGOLJVJIYDZOW-ZYHUDNBSSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)NC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001285936228 911471627 /nfs/dbraw/zinc/47/16/27/911471627.db2.gz HSNCGPAORNDTON-SNVBAGLBSA-N 0 2 308.275 1.455 20 30 DDEDLN C#CCCCC(=O)NC1(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001285936228 911471639 /nfs/dbraw/zinc/47/16/39/911471639.db2.gz HSNCGPAORNDTON-SNVBAGLBSA-N 0 2 308.275 1.455 20 30 DDEDLN N#Cc1cccnc1N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000592427444 355580457 /nfs/dbraw/zinc/58/04/57/355580457.db2.gz WOYJAGANJZJMTF-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN C[C@@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)C[C@@H](C)N1CC#N ZINC000603101959 359404696 /nfs/dbraw/zinc/40/46/96/359404696.db2.gz QWAQXDFCWUYEFW-NXEZZACHSA-N 0 2 309.316 1.729 20 30 DDEDLN C[C@@H]1COCCN1CCNC(=O)c1cc(F)c(F)c(O)c1F ZINC000330865585 223149723 /nfs/dbraw/zinc/14/97/23/223149723.db2.gz ROGULPCHVVXCJW-MRVPVSSYSA-N 0 2 318.295 1.835 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2nc3n(n2)CCCC3)c1 ZINC000566896509 304186086 /nfs/dbraw/zinc/18/60/86/304186086.db2.gz RPTYKFDXHNCAKP-UHFFFAOYSA-N 0 2 303.347 1.287 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@H]2CCOC2)cc1C#N ZINC000337100006 249346923 /nfs/dbraw/zinc/34/69/23/249346923.db2.gz DDIGLOGKQMCCJK-IUCAKERBSA-N 0 2 307.375 1.536 20 30 DDEDLN N#Cc1nc(NC(=O)c2cnc3ccccc3c2O)[nH]c1C#N ZINC000065054690 184309555 /nfs/dbraw/zinc/30/95/55/184309555.db2.gz ZWAGKEUOPKJZMX-UHFFFAOYSA-N 0 2 304.269 1.247 20 30 DDEDLN N#Cc1nc(NC(=O)CCNC(=O)C2CCCCC2)[nH]c1C#N ZINC000101638734 407313740 /nfs/dbraw/zinc/31/37/40/407313740.db2.gz FYMYFMQRWRERSN-UHFFFAOYSA-N 0 2 314.349 1.178 20 30 DDEDLN C/N=C1/SC(CC(=O)Nc2ccc(C#N)cc2)C(=O)N1C ZINC000170874102 407540666 /nfs/dbraw/zinc/54/06/66/407540666.db2.gz JACRXLFVYZZEJR-KTEBKFLVSA-N 0 2 302.359 1.446 20 30 DDEDLN C/N=C1/S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1C ZINC000170874102 407540674 /nfs/dbraw/zinc/54/06/74/407540674.db2.gz JACRXLFVYZZEJR-KTEBKFLVSA-N 0 2 302.359 1.446 20 30 DDEDLN CCc1cc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)n(C)n1 ZINC000116459163 407756140 /nfs/dbraw/zinc/75/61/40/407756140.db2.gz UUNWPAXDBFNZHA-UHFFFAOYSA-N 0 2 317.374 1.517 20 30 DDEDLN C[C@H]1CCC[C@@](C#N)(NC(=O)c2c[nH]c3c(cnn3C)c2=O)C1 ZINC000179504551 407797963 /nfs/dbraw/zinc/79/79/63/407797963.db2.gz WRCSSMDUFJQJOU-MGPLVRAMSA-N 0 2 313.361 1.876 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@@]2(C)CO)cc1C#N ZINC000162162016 408675992 /nfs/dbraw/zinc/67/59/92/408675992.db2.gz HURFFQOTTRWOLL-NHYWBVRUSA-N 0 2 321.402 1.249 20 30 DDEDLN N#C[C@H](C(=O)c1ccc(C(N)=O)nc1)c1nc2ccccc2o1 ZINC000194413289 408782434 /nfs/dbraw/zinc/78/24/34/408782434.db2.gz GTFPLZCJHIQPBI-SNVBAGLBSA-N 0 2 306.281 1.812 20 30 DDEDLN N#CC(C(=O)c1ccc(C(N)=O)nc1)c1nc2ccccc2o1 ZINC000194413289 408782437 /nfs/dbraw/zinc/78/24/37/408782437.db2.gz GTFPLZCJHIQPBI-SNVBAGLBSA-N 0 2 306.281 1.812 20 30 DDEDLN C=CCCO[C@@H](C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000289118951 409220753 /nfs/dbraw/zinc/22/07/53/409220753.db2.gz UAFGANUVQOSKIQ-JTQLQIEISA-N 0 2 302.334 1.685 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2cncc(C#N)c2)ccc1[N+](=O)[O-] ZINC000319441030 164036510 /nfs/dbraw/zinc/03/65/10/164036510.db2.gz HEAAZXNLDNBNOY-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN CC[C@H]1CCCC[C@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408483170 164345997 /nfs/dbraw/zinc/34/59/97/164345997.db2.gz BBCUHRDIZXZTHZ-GXTWGEPZSA-N 0 2 321.402 1.975 20 30 DDEDLN C=CCOCC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000354104377 409660124 /nfs/dbraw/zinc/66/01/24/409660124.db2.gz OCYWBCJZDQIEHF-UHFFFAOYSA-N 0 2 302.334 1.203 20 30 DDEDLN COCc1nnc([C@@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)[nH]1 ZINC000331666428 409751560 /nfs/dbraw/zinc/75/15/60/409751560.db2.gz TWWONEYCPCKCPH-LBPRGKRZSA-N 0 2 314.349 1.518 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000357129926 409894494 /nfs/dbraw/zinc/89/44/94/409894494.db2.gz JBXPFZYADSNMHA-UHFFFAOYSA-N 0 2 314.326 1.634 20 30 DDEDLN CC1(C)NC(=O)CC[C@@H]1[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000328747487 409968169 /nfs/dbraw/zinc/96/81/69/409968169.db2.gz PCEXZBBWGXQXOS-RYUDHWBXSA-N 0 2 319.409 1.847 20 30 DDEDLN CS(=O)(=O)Nc1nnc(NC(=O)[C@@H]2CCCSC2)s1 ZINC000329520028 410342692 /nfs/dbraw/zinc/34/26/92/410342692.db2.gz OEUNHSCDFNMRRQ-ZCFIWIBFSA-N 0 2 322.437 1.641 20 30 DDEDLN O=C(CSc1n[nH]c(=O)[nH]1)NCc1noc2c1CCCC2 ZINC000329422751 410288916 /nfs/dbraw/zinc/28/89/16/410288916.db2.gz FBTZDSWZDRRYAD-UHFFFAOYSA-N 0 2 309.351 1.626 20 30 DDEDLN CCCc1cc(NS(=O)(=O)c2cncc(C#N)c2)n(C)n1 ZINC000290975490 222041608 /nfs/dbraw/zinc/04/16/08/222041608.db2.gz QPFTXYPOHCNRLW-UHFFFAOYSA-N 0 2 305.363 1.440 20 30 DDEDLN CN1CCOc2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc21 ZINC000376601877 418699751 /nfs/dbraw/zinc/69/97/51/418699751.db2.gz JBHDGGPSQAMGCY-UHFFFAOYSA-N 0 2 308.301 1.234 20 30 DDEDLN CC[C@H](C)[C@@](C)(O)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000439506841 420519153 /nfs/dbraw/zinc/51/91/53/420519153.db2.gz SDEIAMZHWAJAKM-VFZGTOFNSA-N 0 2 323.418 1.908 20 30 DDEDLN CCO[C@@H](C)c1ncc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)s1 ZINC000438968811 420473160 /nfs/dbraw/zinc/47/31/60/420473160.db2.gz QYWMTLFZBXPVGD-ZETCQYMHSA-N 0 2 316.346 1.959 20 30 DDEDLN COCCn1ccc(C(=O)[C@H](C#N)c2nc3c(nccc3C)[nH]2)n1 ZINC000527132131 421360061 /nfs/dbraw/zinc/36/00/61/421360061.db2.gz BWEXKSHQNVNCDK-NSHDSACASA-N 0 2 324.344 1.599 20 30 DDEDLN CC#CC[C@@H](CO)NC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000646235664 423413095 /nfs/dbraw/zinc/41/30/95/423413095.db2.gz HHNAZFHJQGECBN-LBPRGKRZSA-N 0 2 316.386 1.523 20 30 DDEDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C#N)ccn1 ZINC000352881677 267365945 /nfs/dbraw/zinc/36/59/45/267365945.db2.gz DRHBJZVEPQBUJY-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN N#C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCN1C1CC1 ZINC000369219301 303169280 /nfs/dbraw/zinc/16/92/80/303169280.db2.gz DCCHXNCKLKFPAO-LBPRGKRZSA-N 0 2 316.317 1.113 20 30 DDEDLN CN(CC(C)(C)C#N)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000342925894 334589487 /nfs/dbraw/zinc/58/94/87/334589487.db2.gz CQOZPOPWSFAVST-UHFFFAOYSA-N 0 2 323.422 1.204 20 30 DDEDLN CO[C@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000528968899 340741176 /nfs/dbraw/zinc/74/11/76/340741176.db2.gz PBDRMIPXXLPDHN-DOMZBBRYSA-N 0 2 315.304 1.838 20 30 DDEDLN N#C[C@H](C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccncn1 ZINC000546152474 341154764 /nfs/dbraw/zinc/15/47/64/341154764.db2.gz AUOXQDYNBVALFS-VIFPVBQESA-N 0 2 312.241 1.604 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N(C[C@H](C)C#N)C2CC2)c1 ZINC000424773727 533813992 /nfs/dbraw/zinc/81/39/92/533813992.db2.gz QGANZZNPWPMFJA-VERVWZFWSA-N 0 2 320.414 1.953 20 30 DDEDLN CC(=O)N1CC[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000330882017 526640403 /nfs/dbraw/zinc/64/04/03/526640403.db2.gz IXZKHEWIPCOUTP-SSDOTTSWSA-N 0 2 302.252 1.735 20 30 DDEDLN C=C(C)[C@@H](CC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)OCC ZINC000412324938 526744663 /nfs/dbraw/zinc/74/46/63/526744663.db2.gz RJGBQXBTRRIIDL-NWDGAFQWSA-N 0 2 308.382 1.588 20 30 DDEDLN CC(C)(C[NH+]1CCOCC1)NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000331355686 527083539 /nfs/dbraw/zinc/08/35/39/527083539.db2.gz QZCDIPUCMSNFRG-UHFFFAOYSA-N 0 2 323.349 1.716 20 30 DDEDLN CC(=O)Nc1ccccc1CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000444724481 527092898 /nfs/dbraw/zinc/09/28/98/527092898.db2.gz ZCTBDADHGVGURO-UHFFFAOYSA-N 0 2 308.301 1.293 20 30 DDEDLN N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000739072035 599723558 /nfs/dbraw/zinc/72/35/58/599723558.db2.gz DGLGDQMSAOEOKV-CQSZACIVSA-N 0 2 301.346 1.482 20 30 DDEDLN N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000739072035 599723559 /nfs/dbraw/zinc/72/35/59/599723559.db2.gz DGLGDQMSAOEOKV-CQSZACIVSA-N 0 2 301.346 1.482 20 30 DDEDLN COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000831083689 601322417 /nfs/dbraw/zinc/32/24/17/601322417.db2.gz AOXSQBLEIDQDGJ-UONOGXRCSA-N 0 2 302.330 1.569 20 30 DDEDLN COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000831083689 601322419 /nfs/dbraw/zinc/32/24/19/601322419.db2.gz AOXSQBLEIDQDGJ-UONOGXRCSA-N 0 2 302.330 1.569 20 30 DDEDLN COc1cc(C#N)ccc1OCC[N@@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC000831861261 601453364 /nfs/dbraw/zinc/45/33/64/601453364.db2.gz RUUWJLVTBXTLAD-CYBMUJFWSA-N 0 2 320.345 1.121 20 30 DDEDLN COc1cc(C#N)ccc1OCC[N@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC000831861261 601453365 /nfs/dbraw/zinc/45/33/65/601453365.db2.gz RUUWJLVTBXTLAD-CYBMUJFWSA-N 0 2 320.345 1.121 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000833966529 605683284 /nfs/dbraw/zinc/68/32/84/605683284.db2.gz LRYNFYWDSCCXEX-ICCXJUOJSA-N 0 2 311.288 1.090 20 30 DDEDLN Cc1cccnc1C=Nn1c(C)cc(C)c(-c2nn[nH]n2)c1=O ZINC000826308367 609374313 /nfs/dbraw/zinc/37/43/13/609374313.db2.gz WFJAFFISZSPHKF-UHFFFAOYSA-N 0 2 309.333 1.231 20 30 DDEDLN N#Cc1ccccc1C=CC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000773649384 697790856 /nfs/dbraw/zinc/79/08/56/697790856.db2.gz KFWLXLCOTMMSJL-NPQIQWPPSA-N 0 2 323.356 1.801 20 30 DDEDLN COCCO[C@@H]1COCC[C@@H]1/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000776721906 698133114 /nfs/dbraw/zinc/13/31/14/698133114.db2.gz KLIQFCOHVUWAHX-FMVCGGQUSA-N 0 2 324.333 1.540 20 30 DDEDLN C#CCOc1ccc(F)cc1NC(=O)CC1SC(=N)NC1=O ZINC000742706198 699887209 /nfs/dbraw/zinc/88/72/09/699887209.db2.gz CMIMLJFWSXKIPQ-LLVKDONJSA-N 0 2 321.333 1.333 20 30 DDEDLN N#C[C@@H](C(=O)[C@@H]1COCCN1CC(F)(F)F)c1ccccn1 ZINC000796782029 699952281 /nfs/dbraw/zinc/95/22/81/699952281.db2.gz OJJOQGIANQVHKR-PWSUYJOCSA-N 0 2 313.279 1.521 20 30 DDEDLN CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNc1ncc(F)cn1 ZINC000761829298 700870468 /nfs/dbraw/zinc/87/04/68/700870468.db2.gz ZZLULJKOXQUZLP-UHFFFAOYSA-N 0 2 314.324 1.474 20 30 DDEDLN C[C@H]1CC(=[NH+]C([O-])=C2CCN(c3ccc(F)cc3)C2=O)NO1 ZINC000765369727 701008324 /nfs/dbraw/zinc/00/83/24/701008324.db2.gz SEXABJHSKLBYHW-CABZTGNLSA-N 0 2 305.309 1.417 20 30 DDEDLN Cc1nn(C)c(C)c1CCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770730455 701292365 /nfs/dbraw/zinc/29/23/65/701292365.db2.gz NOMNCUHUEJTPSS-CYBMUJFWSA-N 0 2 313.361 1.295 20 30 DDEDLN N#Cc1cccc2c1CCN2C(=O)CC1SC(=N)NC1=O ZINC000817639038 702431988 /nfs/dbraw/zinc/43/19/88/702431988.db2.gz FXZZVQBINADLAD-LLVKDONJSA-N 0 2 300.343 1.004 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCc2ccccc2O1 ZINC000842322638 702703478 /nfs/dbraw/zinc/70/34/78/702703478.db2.gz BHZMVSNWMYAJAT-OCCSQVGLSA-N 0 2 309.325 1.705 20 30 DDEDLN CC[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)[N@@H+]1CCO[C@H](CC)C1 ZINC000870690006 704104927 /nfs/dbraw/zinc/10/49/27/704104927.db2.gz HCNSYFSVAIHIHD-ZBFHGGJFSA-N 0 2 317.389 1.858 20 30 DDEDLN CC[C@@H](C(=O)[N-]Oc1cccc(C#N)c1)[N@H+]1CCO[C@H](CC)C1 ZINC000870690006 704104930 /nfs/dbraw/zinc/10/49/30/704104930.db2.gz HCNSYFSVAIHIHD-ZBFHGGJFSA-N 0 2 317.389 1.858 20 30 DDEDLN COc1cccc([S@@](=O)CC(=O)[C@@H](C#N)C(=O)NC(C)C)c1 ZINC000819943113 704190284 /nfs/dbraw/zinc/19/02/84/704190284.db2.gz OKAGVBBJKDBJHU-DMZKTXOQSA-N 0 2 322.386 1.036 20 30 DDEDLN N#CC(C(=O)NC1CCCC1)=C([O-])c1c[nH+]c2n1CCCCC2 ZINC000857010332 704546947 /nfs/dbraw/zinc/54/69/47/704546947.db2.gz LGMPOKWCDXJYFS-CYBMUJFWSA-N 0 2 314.389 1.991 20 30 DDEDLN CC(C)[C@H](C#N)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000860856426 705302236 /nfs/dbraw/zinc/30/22/36/705302236.db2.gz HGSPXGJNFKROIK-VIFPVBQESA-N 0 2 317.267 1.736 20 30 DDEDLN CC[C@@H]1COCC[N@@H+]1CC/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000871596994 707133133 /nfs/dbraw/zinc/13/31/33/707133133.db2.gz IWDIVPLXYICPFY-BVTUPMQUSA-N 0 2 307.350 1.830 20 30 DDEDLN CC[C@@H]1COCC[N@H+]1CC/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000871596994 707133138 /nfs/dbraw/zinc/13/31/38/707133138.db2.gz IWDIVPLXYICPFY-BVTUPMQUSA-N 0 2 307.350 1.830 20 30 DDEDLN Cn1ncc2c1nc(N=NC1CC[C@@H]3COCC[C@@H]3C1)[nH]c2=O ZINC000901197261 709963692 /nfs/dbraw/zinc/96/36/92/709963692.db2.gz WAAMCRGHJQEZLT-NXEZZACHSA-N 0 2 316.365 1.673 20 30 DDEDLN N#Cc1cccc(NS(=O)(=O)c2cnc3n2CCCC3)c1 ZINC000901824000 710155213 /nfs/dbraw/zinc/15/52/13/710155213.db2.gz CMRSZRGXKLEZQL-UHFFFAOYSA-N 0 2 302.359 1.892 20 30 DDEDLN CC[S@](C)(=O)=NS(=O)(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000906061069 712234071 /nfs/dbraw/zinc/23/40/71/712234071.db2.gz DYXTXYFZTKRNRR-FHGNATFXSA-N 0 2 307.441 1.411 20 30 DDEDLN N#CCN1CCC2(CC1)CN(C(=O)C(F)C(F)(F)F)CCO2 ZINC000949095473 719905945 /nfs/dbraw/zinc/90/59/45/719905945.db2.gz MYYREWYSCMWPKH-SNVBAGLBSA-N 0 2 323.290 1.104 20 30 DDEDLN N#CCN1CCC2(CC1)CN(C(=O)[C@@H](F)C(F)(F)F)CCO2 ZINC000949095473 719905948 /nfs/dbraw/zinc/90/59/48/719905948.db2.gz MYYREWYSCMWPKH-SNVBAGLBSA-N 0 2 323.290 1.104 20 30 DDEDLN CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447739 735243680 /nfs/dbraw/zinc/24/36/80/735243680.db2.gz VHJKMMQDFHALGL-CVEARBPZSA-N 0 2 314.433 1.297 20 30 DDEDLN CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001023451811 735247224 /nfs/dbraw/zinc/24/72/24/735247224.db2.gz MPFCMULFTXCYNH-HOTGVXAUSA-N 0 2 314.433 1.297 20 30 DDEDLN C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227855 736378188 /nfs/dbraw/zinc/37/81/88/736378188.db2.gz SWQYAPODEBYGBE-CVEARBPZSA-N 0 2 314.433 1.821 20 30 DDEDLN C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035361648 751446690 /nfs/dbraw/zinc/44/66/90/751446690.db2.gz OEJGPKJHPFFOPO-HZPDHXFCSA-N 0 2 309.454 1.252 20 30 DDEDLN C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001107979592 751469950 /nfs/dbraw/zinc/46/99/50/751469950.db2.gz IQEPMTGMLFOTFH-GOEBONIOSA-N 0 2 315.433 1.059 20 30 DDEDLN C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075968029 742289279 /nfs/dbraw/zinc/28/92/79/742289279.db2.gz ZFZXVZUINIEOTJ-ZMSDIMECSA-N 0 2 314.433 1.554 20 30 DDEDLN C[Si](C)(C)C#Cc1ccc(C(=O)NCc2n[nH]c(=O)[nH]2)cc1 ZINC001189176471 744845850 /nfs/dbraw/zinc/84/58/50/744845850.db2.gz BLICZKGVWCXJRJ-UHFFFAOYSA-N 0 2 314.421 1.669 20 30 DDEDLN C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)C(F)C(F)(F)F ZINC001106603313 745826926 /nfs/dbraw/zinc/82/69/26/745826926.db2.gz IOUYDDSVSZFOSI-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001106603313 745826930 /nfs/dbraw/zinc/82/69/30/745826930.db2.gz IOUYDDSVSZFOSI-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN COc1ccc2nc(NC(=O)c3cccc(C#N)c3O)nnc2c1 ZINC001193634791 746156305 /nfs/dbraw/zinc/15/63/05/746156305.db2.gz JNEPZEANMSFMNI-UHFFFAOYSA-N 0 2 321.296 1.863 20 30 DDEDLN CCOC(=O)c1cc(NC(=O)c2ccc(C#N)cc2O)[nH]n1 ZINC001195733820 746679882 /nfs/dbraw/zinc/67/98/82/746679882.db2.gz WUKPFRJFBPPHJE-UHFFFAOYSA-N 0 2 300.274 1.416 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2ccc3nccnc3c2)cn1 ZINC001198112574 747384584 /nfs/dbraw/zinc/38/45/84/747384584.db2.gz VYCWPJAPIVOIKR-UHFFFAOYSA-N 0 2 312.314 1.092 20 30 DDEDLN C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001033388239 749298605 /nfs/dbraw/zinc/29/86/05/749298605.db2.gz AAKVUKSWZBUBOE-ZDUSSCGKSA-N 0 2 319.409 1.289 20 30 DDEDLN C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001033388239 749298610 /nfs/dbraw/zinc/29/86/10/749298610.db2.gz AAKVUKSWZBUBOE-ZDUSSCGKSA-N 0 2 319.409 1.289 20 30 DDEDLN N#CCN1CCC[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001040216846 762443103 /nfs/dbraw/zinc/44/31/03/762443103.db2.gz QGEMUGCJNMFBJR-PWSUYJOCSA-N 0 2 307.291 1.725 20 30 DDEDLN N#CCN1CCC[C@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001040216846 762443105 /nfs/dbraw/zinc/44/31/05/762443105.db2.gz QGEMUGCJNMFBJR-PWSUYJOCSA-N 0 2 307.291 1.725 20 30 DDEDLN C=C(C)CN1CC2(C1)CN(C(=O)C(F)C(F)(F)F)CCO2 ZINC001053263751 758319136 /nfs/dbraw/zinc/31/91/36/758319136.db2.gz XNUGTVXCHUYQBX-JTQLQIEISA-N 0 2 310.291 1.376 20 30 DDEDLN Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)C(F)C(F)(F)F)n1 ZINC001098327610 764302946 /nfs/dbraw/zinc/30/29/46/764302946.db2.gz MDFUGUORICMBIP-CBAPKCEASA-N 0 2 319.262 1.474 20 30 DDEDLN Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@H](F)C(F)(F)F)n1 ZINC001098327610 764302953 /nfs/dbraw/zinc/30/29/53/764302953.db2.gz MDFUGUORICMBIP-CBAPKCEASA-N 0 2 319.262 1.474 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CCC(F)(F)C1 ZINC001121595865 782581827 /nfs/dbraw/zinc/58/18/27/782581827.db2.gz GKQUXIFBKGSIES-UHFFFAOYSA-N 0 2 324.335 1.899 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132060886 768596041 /nfs/dbraw/zinc/59/60/41/768596041.db2.gz MSWTVFNWNULCBD-NEPJUHHUSA-N 0 2 321.425 1.582 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132060886 768596043 /nfs/dbraw/zinc/59/60/43/768596043.db2.gz MSWTVFNWNULCBD-NEPJUHHUSA-N 0 2 321.425 1.582 20 30 DDEDLN C=CCOC(=O)N1CC[NH+](Cc2sccc2C(=O)[O-])CC1 ZINC001144685079 772597044 /nfs/dbraw/zinc/59/70/44/772597044.db2.gz VVQRGKIOCJFGGS-UHFFFAOYSA-N 0 2 310.375 1.887 20 30 DDEDLN C#CCN1CC(OC2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001093537556 774801730 /nfs/dbraw/zinc/80/17/30/774801730.db2.gz ZYVNRGMOEANSAD-LBPRGKRZSA-N 0 2 322.302 1.212 20 30 DDEDLN C#CCN1CC(OC2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001093537556 774801737 /nfs/dbraw/zinc/80/17/37/774801737.db2.gz ZYVNRGMOEANSAD-LBPRGKRZSA-N 0 2 322.302 1.212 20 30 DDEDLN CC(C#N)C(=O)n1c(C(N)=O)c(N)sc1=Nc1ccccc1 ZINC001179889158 779516754 /nfs/dbraw/zinc/51/67/54/779516754.db2.gz FVMIFQFYAAUQDP-QMMMGPOBSA-N 0 2 315.358 1.263 20 30 DDEDLN C[C@@H](C#N)C(=O)n1c(C(N)=O)c(N)sc1=Nc1ccccc1 ZINC001179889158 779516768 /nfs/dbraw/zinc/51/67/68/779516768.db2.gz FVMIFQFYAAUQDP-QMMMGPOBSA-N 0 2 315.358 1.263 20 30 DDEDLN C[C@@H](NC(=O)C(=O)C=Cc1ccc(F)cc1)c1nn(C)cc1O ZINC001158308253 864563141 /nfs/dbraw/zinc/56/31/41/864563141.db2.gz VCFCIIIXZDZVKG-DAGBOUIGSA-N 0 2 317.320 1.725 20 30 DDEDLN Cc1ccc(OCCNc2[nH]c(=O)n(C)c(=O)c2C#N)c(C)c1 ZINC001336959498 869235908 /nfs/dbraw/zinc/23/59/08/869235908.db2.gz WIKHMHWIVPZSMO-UHFFFAOYSA-N 0 2 314.345 1.053 20 30 DDEDLN COCCCNC(=O)C(C#N)=C([O-])c1cn2c(cccc2C)[nH+]1 ZINC001343273195 872560710 /nfs/dbraw/zinc/56/07/10/872560710.db2.gz OAJNHRQDBSQWCG-GFCCVEGCSA-N 0 2 314.345 1.118 20 30 DDEDLN CCNC(=O)c1ccc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)cc1 ZINC001362060026 882937034 /nfs/dbraw/zinc/93/70/34/882937034.db2.gz BHLYCJFREZVVQK-UHFFFAOYSA-N 0 2 324.340 1.969 20 30 DDEDLN CC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1c(C)noc1C ZINC001413881794 880580057 /nfs/dbraw/zinc/58/00/57/880580057.db2.gz HWDWQTXCMLHNJW-SNVBAGLBSA-N 0 2 303.322 1.113 20 30 DDEDLN COc1ccc(OC)c(/C(=N/O)O[C@H]2C(=O)OCC2(C)C)c1 ZINC001223892110 881136441 /nfs/dbraw/zinc/13/64/41/881136441.db2.gz BWWBNLYPGKRFQZ-OFEBGVABSA-N 0 2 309.318 1.808 20 30 DDEDLN C=C(CO)C(=O)N(CCC)Cc1nc(=O)c2sccc2[nH]1 ZINC001289949273 913284104 /nfs/dbraw/zinc/28/41/04/913284104.db2.gz KATZJGWTZFOADV-UHFFFAOYSA-N 0 2 307.375 1.684 20 30 DDEDLN C=CCn1cccc1C(=O)NCCNC(=O)C(F)C(F)(F)F ZINC001292844648 914043412 /nfs/dbraw/zinc/04/34/12/914043412.db2.gz QHEYHKITEFXJQV-SNVBAGLBSA-N 0 2 321.274 1.421 20 30 DDEDLN C=CCn1cccc1C(=O)NCCNC(=O)[C@@H](F)C(F)(F)F ZINC001292844648 914043430 /nfs/dbraw/zinc/04/34/30/914043430.db2.gz QHEYHKITEFXJQV-SNVBAGLBSA-N 0 2 321.274 1.421 20 30 DDEDLN CC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 ZINC001258196595 898101527 /nfs/dbraw/zinc/10/15/27/898101527.db2.gz XNHZTJOAOFVTIH-UHFFFAOYSA-N 0 2 316.342 1.712 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2cc(F)ccc2F)CCC1=O ZINC001258945480 898371209 /nfs/dbraw/zinc/37/12/09/898371209.db2.gz CKGYNDQVKCDAAN-MRVPVSSYSA-N 0 2 300.286 1.068 20 30 DDEDLN N#Cc1cnc2ccnn2c1NS(=O)(=O)C1CCCCC1 ZINC001259808897 898819977 /nfs/dbraw/zinc/81/99/77/898819977.db2.gz KYBCKOYEBAPPLE-UHFFFAOYSA-N 0 2 305.363 1.675 20 30 DDEDLN C=CCCC(=O)NC[C@@H](NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001294867221 915418645 /nfs/dbraw/zinc/41/86/45/915418645.db2.gz YSXNOMGSLFYVOE-MWLCHTKSSA-N 0 2 310.291 1.864 20 30 DDEDLN C=CCCC(=O)NC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001294867221 915418653 /nfs/dbraw/zinc/41/86/53/915418653.db2.gz YSXNOMGSLFYVOE-MWLCHTKSSA-N 0 2 310.291 1.864 20 30 DDEDLN O=C(NCC#CCO)c1cc(Br)cc(F)c1O ZINC001297016566 916665196 /nfs/dbraw/zinc/66/51/96/916665196.db2.gz NCUPHHILQNEIFJ-UHFFFAOYSA-N 0 2 302.099 1.019 20 30 DDEDLN O=C(NC1=NC(=O)CN1)c1ccc(Br)cc1F ZINC000050222320 352564519 /nfs/dbraw/zinc/56/45/19/352564519.db2.gz LXONDRHOZPDXER-UHFFFAOYSA-N 0 2 300.087 1.379 20 30 DDEDLN N#CCc1ccc(NS(=O)(=O)c2cnn3c2OCCC3)cc1 ZINC000590597941 355126342 /nfs/dbraw/zinc/12/63/42/355126342.db2.gz BRYVOFVWZYBRGC-UHFFFAOYSA-N 0 2 318.358 1.532 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2ccc(C#N)nc2)ccc1[N+](=O)[O-] ZINC000093930487 193329794 /nfs/dbraw/zinc/32/97/94/193329794.db2.gz RTBHEZAJIZZHKH-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN COc1ccc(Cl)cc1CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000026270099 406903288 /nfs/dbraw/zinc/90/32/88/406903288.db2.gz VQIXLUULBWZUTJ-UHFFFAOYSA-N 0 2 315.720 1.996 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc(=O)[nH]c3ccccc32)[nH]c1C#N ZINC000075555549 406935150 /nfs/dbraw/zinc/93/51/50/406935150.db2.gz FAGQVNOYAUFOSM-UHFFFAOYSA-N 0 2 304.269 1.247 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000116710695 407770488 /nfs/dbraw/zinc/77/04/88/407770488.db2.gz ONJFFFIINLSBHL-UHFFFAOYSA-N 0 2 312.301 1.821 20 30 DDEDLN C=CCCCCNC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000274514209 408433442 /nfs/dbraw/zinc/43/34/42/408433442.db2.gz YLXYWVDCBHSIDQ-UHFFFAOYSA-N 0 2 302.334 1.831 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1cnn(C)c1C ZINC000184866804 408707358 /nfs/dbraw/zinc/70/73/58/408707358.db2.gz QHRNPJYPRILCLS-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN C=CCN1CC[C@H](N(C)Cc2nc(=O)c3sccc3[nH]2)C1=O ZINC000281312759 408879874 /nfs/dbraw/zinc/87/98/74/408879874.db2.gz KQHHHNOIACYTDJ-NSHDSACASA-N 0 2 318.402 1.616 20 30 DDEDLN N#Cc1ccc(N2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)nc1 ZINC000289463028 409277726 /nfs/dbraw/zinc/27/77/26/409277726.db2.gz AAWHECUMHSOPPX-LLVKDONJSA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1ccc(N2CCN(C(=O)C(F)C(F)(F)F)CC2)nc1 ZINC000289463028 409277729 /nfs/dbraw/zinc/27/77/29/409277729.db2.gz AAWHECUMHSOPPX-LLVKDONJSA-N 0 2 316.258 1.502 20 30 DDEDLN CN(Cc1ccc(C#N)cc1)C(=O)N=c1ncn(C(C)(C)C)[nH]1 ZINC000345599081 409703824 /nfs/dbraw/zinc/70/38/24/409703824.db2.gz ZKNUQXJCJHYGDG-UHFFFAOYSA-N 0 2 312.377 2.569 20 30 DDEDLN C=C[C@@H](CO)NC(=O)C1=NN(c2ccccc2CC)CC1=O ZINC000356877323 409682560 /nfs/dbraw/zinc/68/25/60/409682560.db2.gz URYVIRWWNDXKLL-LBPRGKRZSA-N 0 2 301.346 1.417 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2ncccc2OCC(F)F)c1C#N ZINC000357163535 409913076 /nfs/dbraw/zinc/91/30/76/409913076.db2.gz KKHDZCNUSMVWLR-UHFFFAOYSA-N 0 2 307.260 1.881 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cnc([C@H]3CCCO3)s2)c1C#N ZINC000357243990 409951226 /nfs/dbraw/zinc/95/12/26/409951226.db2.gz OEFKGANRCWURAG-SECBINFHSA-N 0 2 303.347 2.150 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)c1C#N ZINC000357252848 409953633 /nfs/dbraw/zinc/95/36/33/409953633.db2.gz GUNBAUHLEWKKLC-UHFFFAOYSA-N 0 2 311.276 2.235 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCOC[C@H]2C)cc1C#N ZINC000342953946 410025036 /nfs/dbraw/zinc/02/50/36/410025036.db2.gz WWWHNJJRPTZEKH-ZJUUUORDSA-N 0 2 321.402 1.783 20 30 DDEDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000356496906 411057048 /nfs/dbraw/zinc/05/70/48/411057048.db2.gz KSTARGIDRUYGHH-UHFFFAOYSA-N 0 2 316.342 1.134 20 30 DDEDLN N#C[C@@H](C(=O)c1coc(C(N)=O)c1)c1cnc2ccccc2n1 ZINC000361525539 418670119 /nfs/dbraw/zinc/67/01/19/418670119.db2.gz NRPUAYPOXHNPKH-SNVBAGLBSA-N 0 2 306.281 1.812 20 30 DDEDLN CC1(C)CCCC[C@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408489565 418805664 /nfs/dbraw/zinc/80/56/64/418805664.db2.gz UJIVXNIMVBDLIS-ZDUSSCGKSA-N 0 2 321.402 1.975 20 30 DDEDLN C=CCC[C@H](CO)NC(=O)C1=NN(c2ccccc2)CC1=O ZINC000456781448 420543506 /nfs/dbraw/zinc/54/35/06/420543506.db2.gz SNEKVSPRVOJDSD-GFCCVEGCSA-N 0 2 301.346 1.635 20 30 DDEDLN C[C@@H]1[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)[C@H]1C1CC1 ZINC000529021355 421525900 /nfs/dbraw/zinc/52/59/00/421525900.db2.gz NEEKHOFAOHIHQF-ZEGGKSINSA-N 0 2 305.359 1.050 20 30 DDEDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cc(C#N)c[nH]1 ZINC000555537552 421681580 /nfs/dbraw/zinc/68/15/80/421681580.db2.gz IGBOXDUIKBKWLY-UHFFFAOYSA-N 0 2 308.301 1.938 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632412060 422322098 /nfs/dbraw/zinc/32/20/98/422322098.db2.gz RDDMJMJKVTYTFO-BDAKNGLRSA-N 0 2 318.782 1.827 20 30 DDEDLN C=C(CNC(=O)C(=O)N=c1ncn(C(C)C)[nH]1)c1ccccc1 ZINC000651803840 423691022 /nfs/dbraw/zinc/69/10/22/423691022.db2.gz JUIPJFBSVUDHMF-UHFFFAOYSA-N 0 2 313.361 1.049 20 30 DDEDLN N#Cc1nc(NC(=O)CCCc2ccc(O)c(F)c2)[nH]c1C#N ZINC000348727876 268323876 /nfs/dbraw/zinc/32/38/76/268323876.db2.gz HKNUXQXLQQCGCV-UHFFFAOYSA-N 0 2 313.292 1.959 20 30 DDEDLN N#CC1(C(=O)N2CCC(c3n[nH]c(=S)o3)CC2)CCOCC1 ZINC000369176205 303139351 /nfs/dbraw/zinc/13/93/51/303139351.db2.gz IMXHFAGPIUKBNI-UHFFFAOYSA-N 0 2 322.390 1.385 20 30 DDEDLN C#CCN(CC#N)C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000491021934 526877992 /nfs/dbraw/zinc/87/79/92/526877992.db2.gz PFIGRIHBHQBZHM-UHFFFAOYSA-N 0 2 312.304 1.624 20 30 DDEDLN C=CCC1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CCOCC1 ZINC000333416430 527041903 /nfs/dbraw/zinc/04/19/03/527041903.db2.gz IFIGXZBWDPCACP-GFCCVEGCSA-N 0 2 320.393 1.589 20 30 DDEDLN C=CC[C@H](CO)CNC(=O)C1=NN(c2ccccc2)CC1=O ZINC000342161307 527185199 /nfs/dbraw/zinc/18/51/99/527185199.db2.gz LNGGURRJRHGWHV-LBPRGKRZSA-N 0 2 301.346 1.492 20 30 DDEDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)c1cccc(F)c1C#N ZINC000739688181 602435007 /nfs/dbraw/zinc/43/50/07/602435007.db2.gz VNYVDNSCTKGJNO-UHFFFAOYSA-N 0 2 306.341 1.429 20 30 DDEDLN O=C(C/N=C/c1cc([N+](=O)[O-])ccc1O)NCC(F)(F)F ZINC000044012534 696157912 /nfs/dbraw/zinc/15/79/12/696157912.db2.gz MXIMVZJWYWSOBS-SYZQJQIISA-N 0 2 305.212 1.398 20 30 DDEDLN CCCNC(=O)CCCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000119507116 696681599 /nfs/dbraw/zinc/68/15/99/696681599.db2.gz DEKQLOVIPWKQPJ-NSHDSACASA-N 0 2 304.350 1.008 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CSCc1cscn1 ZINC000158397011 696989727 /nfs/dbraw/zinc/98/97/27/696989727.db2.gz FRYPZQIOEQRRTN-SNVBAGLBSA-N 0 2 320.399 1.702 20 30 DDEDLN CC#CCCCCOC(=O)Cc1c(C)nc2cc[nH]n2c1=O ZINC000183936097 697497072 /nfs/dbraw/zinc/49/70/72/697497072.db2.gz LJVIZWSQPXKTCQ-UHFFFAOYSA-N 0 2 301.346 1.610 20 30 DDEDLN N#Cc1ccc(CCC(=O)NCCc2n[nH]c(=S)o2)cc1 ZINC000773108028 697714648 /nfs/dbraw/zinc/71/46/48/697714648.db2.gz WDCINFRBLMDKFO-UHFFFAOYSA-N 0 2 302.359 1.521 20 30 DDEDLN CCn1cc(N=C2SC(CC(=O)NC)C(=O)N2C2CC2)cn1 ZINC000726109857 699350296 /nfs/dbraw/zinc/35/02/96/699350296.db2.gz DMWQAQJSIZCNKY-NSHDSACASA-N 0 2 321.406 1.133 20 30 DDEDLN CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2C2CC2)cn1 ZINC000726109857 699350298 /nfs/dbraw/zinc/35/02/98/699350298.db2.gz DMWQAQJSIZCNKY-NSHDSACASA-N 0 2 321.406 1.133 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)Cc2cnn(C)c2)n1 ZINC000726326857 699360378 /nfs/dbraw/zinc/36/03/78/699360378.db2.gz OFEZYIZPBGETDR-JTQLQIEISA-N 0 2 318.358 1.472 20 30 DDEDLN O=C(CC1S/C(=N/C2CCCC2)NC1=O)Nc1cnccn1 ZINC000730816633 699516747 /nfs/dbraw/zinc/51/67/47/699516747.db2.gz ZVXFKQKTYJLPKY-SNVBAGLBSA-N 0 2 319.390 1.335 20 30 DDEDLN N#C[C@@H]1CN(C(=O)c2c(O)cc(F)cc2F)CCN1C1CC1 ZINC000732678710 699566415 /nfs/dbraw/zinc/56/64/15/699566415.db2.gz KDYJAJYTRKTZCW-LLVKDONJSA-N 0 2 307.300 1.483 20 30 DDEDLN O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1n[nH]c(=O)[nH]1 ZINC000790709284 699593077 /nfs/dbraw/zinc/59/30/77/699593077.db2.gz DHXHQXBYGASFIY-UHFFFAOYSA-N 0 2 310.235 1.197 20 30 DDEDLN C#C[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000794059065 699793077 /nfs/dbraw/zinc/79/30/77/699793077.db2.gz BRVKXJWYCWDISI-GHMZBOCLSA-N 0 2 321.789 1.687 20 30 DDEDLN N#C[C@@H](C(=O)Cc1cnn(-c2ccccc2)n1)c1ccncn1 ZINC000760352295 700804372 /nfs/dbraw/zinc/80/43/72/700804372.db2.gz KDWBCMPJQWCOHT-CQSZACIVSA-N 0 2 304.313 1.476 20 30 DDEDLN C#Cc1cccc(NC(=O)CNC(=O)C(F)C(F)(F)F)c1 ZINC000764390298 700969162 /nfs/dbraw/zinc/96/91/62/700969162.db2.gz RGPBNOOXFFQLDS-LLVKDONJSA-N 0 2 302.227 1.623 20 30 DDEDLN C#Cc1cccc(NC(=O)CNC(=O)[C@@H](F)C(F)(F)F)c1 ZINC000764390298 700969165 /nfs/dbraw/zinc/96/91/65/700969165.db2.gz RGPBNOOXFFQLDS-LLVKDONJSA-N 0 2 302.227 1.623 20 30 DDEDLN COc1cc(OC)cc(S(=O)(=O)Nc2cnn(CC#N)c2)c1 ZINC000767733237 701132755 /nfs/dbraw/zinc/13/27/55/701132755.db2.gz PQCIHKURGJSFCW-UHFFFAOYSA-N 0 2 322.346 1.225 20 30 DDEDLN C=C[C@@H](C)ONC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 ZINC000846541611 703293920 /nfs/dbraw/zinc/29/39/20/703293920.db2.gz JAIPGJCDKOYTDJ-PSASIEDQSA-N 0 2 313.379 1.666 20 30 DDEDLN O=C1O[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)CN1C1CC1 ZINC000846757066 703327030 /nfs/dbraw/zinc/32/70/30/703327030.db2.gz RZRLTZQJTYGPGT-BYQGBLLGSA-N 0 2 305.290 1.703 20 30 DDEDLN C=CCS(=O)(=O)[N-]C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000821627783 704428313 /nfs/dbraw/zinc/42/83/13/704428313.db2.gz ODJXZGAJYJZYMK-UHFFFAOYSA-N 0 2 305.359 1.177 20 30 DDEDLN C#C[C@@H](CO)NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000854772854 704450335 /nfs/dbraw/zinc/45/03/35/704450335.db2.gz BLDABNPLOYWBTA-ZDUSSCGKSA-N 0 2 313.357 1.425 20 30 DDEDLN C#CCN(C(=O)c1ccc(CNC(=O)C(F)(F)F)o1)C1CC1 ZINC000860840382 705296699 /nfs/dbraw/zinc/29/66/99/705296699.db2.gz LNLKQUTVPNWPEQ-UHFFFAOYSA-N 0 2 314.263 1.696 20 30 DDEDLN C=C(Cl)C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(=O)[O-] ZINC000864185851 706092298 /nfs/dbraw/zinc/09/22/98/706092298.db2.gz DIXCFXJVDJADTP-LLVKDONJSA-N 0 2 311.769 1.474 20 30 DDEDLN C=CCCC[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C(=O)[O-] ZINC000909039452 712923442 /nfs/dbraw/zinc/92/34/42/712923442.db2.gz AZMSOXHHIWQGII-CYBMUJFWSA-N 0 2 316.361 1.943 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000909519675 709499544 /nfs/dbraw/zinc/49/95/44/709499544.db2.gz JFLREYWQNNPEGU-CJNGLKHVSA-N 0 2 314.385 1.986 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000909519675 709499547 /nfs/dbraw/zinc/49/95/47/709499547.db2.gz JFLREYWQNNPEGU-CJNGLKHVSA-N 0 2 314.385 1.986 20 30 DDEDLN C=CCCC[C@H](NC(=O)/C=C(/C)C[NH+]1CCOCC1)C(=O)[O-] ZINC000910925974 710121951 /nfs/dbraw/zinc/12/19/51/710121951.db2.gz PFNNYJMDSWHRLI-FZDNWWAKSA-N 0 2 310.394 1.191 20 30 DDEDLN C=C(Cl)C[C@@H](NC(=O)NCCCn1cc[nH+]c1)C(=O)[O-] ZINC000908737954 712844760 /nfs/dbraw/zinc/84/47/60/712844760.db2.gz PMMGQKCKQSMKFO-SNVBAGLBSA-N 0 2 300.746 1.168 20 30 DDEDLN CCOc1ccc(N=C2NC(=O)[C@@H](CC(=O)NC)S2)cc1 ZINC000914582103 713397780 /nfs/dbraw/zinc/39/77/80/713397780.db2.gz RBFUOOKOIQSLQZ-LLVKDONJSA-N 0 2 307.375 1.441 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000942364467 717639328 /nfs/dbraw/zinc/63/93/28/717639328.db2.gz FRGZGZHQBZLFSZ-NXEZZACHSA-N 0 2 322.302 1.960 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC000942364467 717639330 /nfs/dbraw/zinc/63/93/30/717639330.db2.gz FRGZGZHQBZLFSZ-NXEZZACHSA-N 0 2 322.302 1.960 20 30 DDEDLN C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)[C@@H](F)C(F)(F)F ZINC001076432227 742731128 /nfs/dbraw/zinc/73/11/28/742731128.db2.gz HPNKPFUMMIRILW-GZMMTYOYSA-N 0 2 308.275 1.311 20 30 DDEDLN O=C(CC(F)(F)F)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001010596982 732708123 /nfs/dbraw/zinc/70/81/23/732708123.db2.gz INBOLMGRIOYXCM-SSDOTTSWSA-N 0 2 324.196 1.510 20 30 DDEDLN O=C(CC(F)(F)F)N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001010596982 732708124 /nfs/dbraw/zinc/70/81/24/732708124.db2.gz INBOLMGRIOYXCM-SSDOTTSWSA-N 0 2 324.196 1.510 20 30 DDEDLN CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001032628579 751724621 /nfs/dbraw/zinc/72/46/21/751724621.db2.gz HVGWNELAFDDDPZ-MPGHIAIKSA-N 0 2 321.440 1.507 20 30 DDEDLN C[C@@H](CCNC(=O)C#CC1CC1)NC(=O)C(F)C(F)(F)F ZINC001076432227 742731124 /nfs/dbraw/zinc/73/11/24/742731124.db2.gz HPNKPFUMMIRILW-GZMMTYOYSA-N 0 2 308.275 1.311 20 30 DDEDLN C#CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC001182261338 743547295 /nfs/dbraw/zinc/54/72/95/743547295.db2.gz IVUPSNVUXDWCCF-UHFFFAOYSA-N 0 2 307.356 1.516 20 30 DDEDLN Cc1nc(C#N)cnc1NS(=O)(=O)Cc1cc(F)ccc1F ZINC001189651203 744947667 /nfs/dbraw/zinc/94/76/67/744947667.db2.gz OKMCOSZRUGJVNJ-UHFFFAOYSA-N 0 2 324.312 1.877 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2ccccc2-c2nn[nH]n2)c(O)c1 ZINC001195751459 746699595 /nfs/dbraw/zinc/69/95/95/746699595.db2.gz UUPCBLSCGDXJQR-UHFFFAOYSA-N 0 2 306.285 1.696 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cn(C)nc2C#N)c(C)c1 ZINC001198907839 747657722 /nfs/dbraw/zinc/65/77/22/747657722.db2.gz QZPKOOIPJJBPHF-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN C#Cc1ccccc1NS(=O)(=O)c1cncc(C(=O)OC)c1 ZINC001201858244 748612768 /nfs/dbraw/zinc/61/27/68/748612768.db2.gz ZTWQNAKXVGBCPR-UHFFFAOYSA-N 0 2 316.338 1.650 20 30 DDEDLN C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206816 748919883 /nfs/dbraw/zinc/91/98/83/748919883.db2.gz JPGKWQTYLRUDLQ-CABCVRRESA-N 0 2 300.406 1.002 20 30 DDEDLN C=CCCC(=O)N1C[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@@H]2C1 ZINC001055237097 760414046 /nfs/dbraw/zinc/41/40/46/760414046.db2.gz CMQZSKPMKDQSTD-JFGNBEQYSA-N 0 2 322.302 1.770 20 30 DDEDLN C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]2C1 ZINC001055237097 760414051 /nfs/dbraw/zinc/41/40/51/760414051.db2.gz CMQZSKPMKDQSTD-JFGNBEQYSA-N 0 2 322.302 1.770 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccc(C#N)nc1 ZINC001113934704 766425506 /nfs/dbraw/zinc/42/55/06/766425506.db2.gz PVTOGKTXKUVYKK-GZMMTYOYSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1ccc(C#N)nc1 ZINC001113934704 766425515 /nfs/dbraw/zinc/42/55/15/766425515.db2.gz PVTOGKTXKUVYKK-GZMMTYOYSA-N 0 2 318.274 1.795 20 30 DDEDLN CC(C)(C/N=C/c1cc([N+](=O)[O-])ccc1[O-])[NH+]1CCOCC1 ZINC000005290181 766624425 /nfs/dbraw/zinc/62/44/25/766624425.db2.gz WZMGHIDPFLYADN-MHWRWJLKSA-N 0 2 307.350 1.830 20 30 DDEDLN Cc1ccc(C(=O)Nc2c(C#N)cnc3c(C#N)cnn32)c(O)c1 ZINC001148492593 773500118 /nfs/dbraw/zinc/50/01/18/773500118.db2.gz QQTPINKXKKVFEY-UHFFFAOYSA-N 0 2 318.296 1.739 20 30 DDEDLN C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001098966608 774744224 /nfs/dbraw/zinc/74/42/24/774744224.db2.gz RJLSOBNSVWEVLC-GFCCVEGCSA-N 0 2 321.425 1.583 20 30 DDEDLN C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001098966608 774744226 /nfs/dbraw/zinc/74/42/26/774744226.db2.gz RJLSOBNSVWEVLC-GFCCVEGCSA-N 0 2 321.425 1.583 20 30 DDEDLN C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1CN2Cc1n[nH]c(=O)[nH]1 ZINC001267705434 838685751 /nfs/dbraw/zinc/68/57/51/838685751.db2.gz ABSHPZNDDUKMFY-STQMWFEESA-N 0 2 317.393 1.064 20 30 DDEDLN C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034401919 848468275 /nfs/dbraw/zinc/46/82/75/848468275.db2.gz WXNRZOYAJNYCKZ-ZIAGYGMSSA-N 0 2 302.422 1.986 20 30 DDEDLN COc1cc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)ncn1 ZINC001412038379 854141409 /nfs/dbraw/zinc/14/14/09/854141409.db2.gz KWEOKBDKJGOQEH-UHFFFAOYSA-N 0 2 317.330 1.432 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1c[nH]nc1Br ZINC001412292333 854414795 /nfs/dbraw/zinc/41/47/95/854414795.db2.gz WCZSGZQIAVRCHN-UHFFFAOYSA-N 0 2 322.122 1.705 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc(F)c(C(N)=O)c1 ZINC001361622873 882026999 /nfs/dbraw/zinc/02/69/99/882026999.db2.gz HJNILRGEJOTNMY-UHFFFAOYSA-N 0 2 314.276 1.458 20 30 DDEDLN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001381527148 882078557 /nfs/dbraw/zinc/07/85/57/882078557.db2.gz ADUIRDYVKATTAQ-XSPKLOCKSA-N 0 2 309.263 1.057 20 30 DDEDLN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001381527148 882078578 /nfs/dbraw/zinc/07/85/78/882078578.db2.gz ADUIRDYVKATTAQ-XSPKLOCKSA-N 0 2 309.263 1.057 20 30 DDEDLN C#C[C@H](Oc1nc(SC)[nH]c(=O)c1[N+](=O)[O-])c1ccncc1 ZINC001227629635 883114494 /nfs/dbraw/zinc/11/44/94/883114494.db2.gz WVAPIJNWGIPTDR-VIFPVBQESA-N 0 2 318.314 1.961 20 30 DDEDLN CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](Oc2nc(O)cc(=O)[nH]2)C1 ZINC001228391358 883479289 /nfs/dbraw/zinc/47/92/89/883479289.db2.gz VHVHMBLOGLNSFF-DTWKUNHWSA-N 0 2 322.321 1.026 20 30 DDEDLN N#CCc1ccccc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001363050662 885332345 /nfs/dbraw/zinc/33/23/45/885332345.db2.gz CEUQBOPPSQQVNL-GFCCVEGCSA-N 0 2 311.345 1.596 20 30 DDEDLN C[C@@H](C#N)C(=O)NCCC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001383909499 886716143 /nfs/dbraw/zinc/71/61/43/886716143.db2.gz ONUQISDLQZESDK-IUCAKERBSA-N 0 2 323.290 1.449 20 30 DDEDLN C[C@@H](C#N)C(=O)NCCC1(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001383909499 886716154 /nfs/dbraw/zinc/71/61/54/886716154.db2.gz ONUQISDLQZESDK-IUCAKERBSA-N 0 2 323.290 1.449 20 30 DDEDLN Cc1ccc(Cl)cc1NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O ZINC001364280928 888286712 /nfs/dbraw/zinc/28/67/12/888286712.db2.gz PMEWDYCUWCDIRY-UHFFFAOYSA-N 0 2 318.720 1.009 20 30 DDEDLN COc1cc(C(=O)N[C@H](C)c2nn(C)cc2O)ccc1C#N ZINC001364398366 888542208 /nfs/dbraw/zinc/54/22/08/888542208.db2.gz KURIUFCZPWNCNJ-SECBINFHSA-N 0 2 300.318 1.497 20 30 DDEDLN Cn1c(=O)[nH]c(NCC(C)(C)C2CCCCC2)c(C#N)c1=O ZINC001364560231 888926654 /nfs/dbraw/zinc/92/66/54/888926654.db2.gz QJYWKCQFKBGUFB-UHFFFAOYSA-N 0 2 304.394 1.964 20 30 DDEDLN C[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@H](C2CC2)O1 ZINC001364696568 889218772 /nfs/dbraw/zinc/21/87/72/889218772.db2.gz ZQPDYLWCIGKYEF-IINYFYTJSA-N 0 2 313.361 1.306 20 30 DDEDLN C[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@H](C2CC2)O1 ZINC001364696568 889218781 /nfs/dbraw/zinc/21/87/81/889218781.db2.gz ZQPDYLWCIGKYEF-IINYFYTJSA-N 0 2 313.361 1.306 20 30 DDEDLN C[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC2(CCC2)O1 ZINC001364741783 889319688 /nfs/dbraw/zinc/31/96/88/889319688.db2.gz JUVCVEHAXULYNC-NSHDSACASA-N 0 2 313.361 1.450 20 30 DDEDLN C[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC2(CCC2)O1 ZINC001364741783 889319699 /nfs/dbraw/zinc/31/96/99/889319699.db2.gz JUVCVEHAXULYNC-NSHDSACASA-N 0 2 313.361 1.450 20 30 DDEDLN COCC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(C)o1 ZINC001365224820 890388205 /nfs/dbraw/zinc/38/82/05/890388205.db2.gz MEZSPHNBBQOGQV-NSHDSACASA-N 0 2 318.333 1.036 20 30 DDEDLN C[C@H](C#N)C(=O)NCCN(C)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC001388039510 894426855 /nfs/dbraw/zinc/42/68/55/894426855.db2.gz IVUUSOVLXYFVIJ-MRVPVSSYSA-N 0 2 323.784 1.288 20 30 DDEDLN CC(=O)c1ncccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC001258045385 898031598 /nfs/dbraw/zinc/03/15/98/898031598.db2.gz JRZKAUBBPOJCFM-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)Cc2ccccc2Cl)CCC1=O ZINC001260693535 899222103 /nfs/dbraw/zinc/22/21/03/899222103.db2.gz XJXXQSYWGIIRLU-LLVKDONJSA-N 0 2 312.778 1.584 20 30 DDEDLN N#Cc1ccccc1CN1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001391419908 901708033 /nfs/dbraw/zinc/70/80/33/901708033.db2.gz IFCUGWUUSWPROP-GFCCVEGCSA-N 0 2 315.270 1.759 20 30 DDEDLN N#Cc1ccccc1CN1CC(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001391419908 901708040 /nfs/dbraw/zinc/70/80/40/901708040.db2.gz IFCUGWUUSWPROP-GFCCVEGCSA-N 0 2 315.270 1.759 20 30 DDEDLN CC#CCCCC(=O)NC/C=C/CNC(=O)C(F)C(F)(F)F ZINC001285567325 910803059 /nfs/dbraw/zinc/80/30/59/910803059.db2.gz CERKSBPJQZXRGT-SYTKJHMZSA-N 0 2 322.302 1.869 20 30 DDEDLN CC#CCCCC(=O)NC/C=C/CNC(=O)[C@H](F)C(F)(F)F ZINC001285567325 910803066 /nfs/dbraw/zinc/80/30/66/910803066.db2.gz CERKSBPJQZXRGT-SYTKJHMZSA-N 0 2 322.302 1.869 20 30 DDEDLN C#CCCCCCC(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001297069512 916710002 /nfs/dbraw/zinc/71/00/02/916710002.db2.gz PWRMZAWOOKSPRX-GFCCVEGCSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCCCC(=O)N1CC(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001297069512 916710006 /nfs/dbraw/zinc/71/00/06/916710006.db2.gz PWRMZAWOOKSPRX-GFCCVEGCSA-N 0 2 322.302 1.798 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1 ZINC000614296582 361794408 /nfs/dbraw/zinc/79/44/08/361794408.db2.gz JSDPNSYNRFFYRH-UHFFFAOYSA-N 0 2 306.285 1.696 20 30 DDEDLN C=C(C)CN(Cc1ccccc1)C(=O)CSc1n[nH]c(=O)[nH]1 ZINC000279875771 215197836 /nfs/dbraw/zinc/19/78/36/215197836.db2.gz GZLWVPLWUVOWKB-UHFFFAOYSA-N 0 2 318.402 1.795 20 30 DDEDLN CC(C)Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc(=O)[nH]1 ZINC000181880431 186213955 /nfs/dbraw/zinc/21/39/55/186213955.db2.gz JUTICIBRPBONRI-UHFFFAOYSA-N 0 2 310.317 1.704 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2c(C)noc2C)n(CCC#N)n1 ZINC000066247998 352986097 /nfs/dbraw/zinc/98/60/97/352986097.db2.gz YNZNACNQRJKIAQ-UHFFFAOYSA-N 0 2 309.351 1.511 20 30 DDEDLN C=CCCO[C@@H](C)C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000069337338 353157712 /nfs/dbraw/zinc/15/77/12/353157712.db2.gz UGIAINWLMUSZDE-JTQLQIEISA-N 0 2 321.402 1.924 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)C[C@H]1CCCCO1 ZINC000076936788 353443277 /nfs/dbraw/zinc/44/32/77/353443277.db2.gz KWQXLUFMKPSLAB-GFCCVEGCSA-N 0 2 310.375 1.878 20 30 DDEDLN CSc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)cn1 ZINC000105780058 353937212 /nfs/dbraw/zinc/93/72/12/353937212.db2.gz FPLKUTIKKIUOIY-UHFFFAOYSA-N 0 2 306.372 1.871 20 30 DDEDLN Cc1nn(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)c(C)c1Cl ZINC000129389446 354081881 /nfs/dbraw/zinc/08/18/81/354081881.db2.gz GTCZNURTASPCMM-UHFFFAOYSA-N 0 2 303.713 1.259 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1scc(C(=O)OC)c1C ZINC000591339127 355292569 /nfs/dbraw/zinc/29/25/69/355292569.db2.gz CSXIOHVNYHCQCP-QMMMGPOBSA-N 0 2 302.377 1.887 20 30 DDEDLN CO[C@H](C)CS(=O)(=O)Nc1n[nH]c2cc(C#N)c(C)cc21 ZINC000593288197 355845851 /nfs/dbraw/zinc/84/58/51/355845851.db2.gz ZLDHVAMGKUWPNC-SECBINFHSA-N 0 2 308.363 1.520 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@H](O)C23CCC3)cc1C#N ZINC000598314550 357536412 /nfs/dbraw/zinc/53/64/12/357536412.db2.gz YBRLDMOINXCHOV-QWRGUYRKSA-N 0 2 319.386 1.414 20 30 DDEDLN CCNc1ccc(C#N)cc1NS(=O)(=O)c1cnc(C)n1C ZINC000600650466 358275349 /nfs/dbraw/zinc/27/53/49/358275349.db2.gz LGFHQTOEDOZNQJ-UHFFFAOYSA-N 0 2 319.390 1.833 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccncc2Br)[nH]c1C#N ZINC000358914407 299279489 /nfs/dbraw/zinc/27/94/89/299279489.db2.gz LGUIKEBSTJQKEI-UHFFFAOYSA-N 0 2 317.106 1.563 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N(C)[C@H]2CCC[C@H]2C#N)c1 ZINC000601802584 358699589 /nfs/dbraw/zinc/69/95/89/358699589.db2.gz UYCVWSWOBOXVBV-FIKRCHLTSA-N 0 2 320.414 1.953 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N(C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000601802586 358699664 /nfs/dbraw/zinc/69/96/64/358699664.db2.gz UYCVWSWOBOXVBV-ZNVLZIIHSA-N 0 2 320.414 1.953 20 30 DDEDLN CC(C)Cc1nnc(NS(=O)(=O)c2ccc(C#N)nc2)o1 ZINC000194861212 201302512 /nfs/dbraw/zinc/30/25/12/201302512.db2.gz OLEWLHWATNNDTN-UHFFFAOYSA-N 0 2 307.335 1.336 20 30 DDEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)c1cn(C)nc1C ZINC000288680878 220345685 /nfs/dbraw/zinc/34/56/85/220345685.db2.gz ZZCXXWQWLBJMSS-UHFFFAOYSA-N 0 2 320.374 1.800 20 30 DDEDLN CCCc1noc(CCCC(=O)Nc2nc(C#N)c(C#N)[nH]2)n1 ZINC000052557406 407152338 /nfs/dbraw/zinc/15/23/38/407152338.db2.gz JRWLTTHXKQGRHW-UHFFFAOYSA-N 0 2 313.321 1.450 20 30 DDEDLN C#Cc1cccc(/N=C2\S[C@H](CC(=O)NC)C(=O)N2CC)c1 ZINC000171407774 407682652 /nfs/dbraw/zinc/68/26/52/407682652.db2.gz HCTAASAXTLRISG-LTRYHMRKSA-N 0 2 315.398 1.755 20 30 DDEDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(C#N)[nH]2)c1 ZINC000159139020 408386164 /nfs/dbraw/zinc/38/61/64/408386164.db2.gz GSLJISOUZNBJKT-UHFFFAOYSA-N 0 2 319.342 1.638 20 30 DDEDLN N#Cc1ccsc1N1CC[C@H](Sc2n[nH]c(=O)[nH]2)C1=O ZINC000187638366 163024646 /nfs/dbraw/zinc/02/46/46/163024646.db2.gz GZTIKSXVVSGLKF-ZETCQYMHSA-N 0 2 307.360 1.341 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1nnc(CC(=O)OCC)s1 ZINC000291905473 408943233 /nfs/dbraw/zinc/94/32/33/408943233.db2.gz RIJBRXSJXNJINE-UHFFFAOYSA-N 0 2 319.408 1.352 20 30 DDEDLN C=CCN1CC[C@@H](ONC(=O)C(C)(C)c2ccccc2)C1=O ZINC000283524045 409170482 /nfs/dbraw/zinc/17/04/82/409170482.db2.gz LPMBAIGHQBTFEQ-CQSZACIVSA-N 0 2 302.374 1.799 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2cccc3c2OCO3)c1 ZINC000357067315 409835924 /nfs/dbraw/zinc/83/59/24/409835924.db2.gz CMEJLCCAOSNUQG-UHFFFAOYSA-N 0 2 303.299 1.483 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1C#N ZINC000357234661 409949047 /nfs/dbraw/zinc/94/90/47/409949047.db2.gz ABLKUYFHHZJDJB-UHFFFAOYSA-N 0 2 305.681 2.404 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2csc(C(F)(F)F)n2)c1C#N ZINC000357240337 409950291 /nfs/dbraw/zinc/95/02/91/409950291.db2.gz ITXLDUJZYZKFSP-UHFFFAOYSA-N 0 2 301.253 2.317 20 30 DDEDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000357398076 410013841 /nfs/dbraw/zinc/01/38/41/410013841.db2.gz FHZJSZCAXTZLBZ-UHFFFAOYSA-N 0 2 317.330 1.107 20 30 DDEDLN COc1cccc(C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)c1OC ZINC000359728460 410837258 /nfs/dbraw/zinc/83/72/58/410837258.db2.gz WYEDJVAHPYQVDC-UHFFFAOYSA-N 0 2 312.329 2.428 20 30 DDEDLN Cn1cc(C#N)cc1C(=O)N1CCC(c2n[nH]c(=S)o2)CC1 ZINC000364319175 418775728 /nfs/dbraw/zinc/77/57/28/418775728.db2.gz KYCJGHNQIJWVMW-UHFFFAOYSA-N 0 2 317.374 1.588 20 30 DDEDLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C#N)cn2)c1 ZINC000437399667 420405184 /nfs/dbraw/zinc/40/51/84/420405184.db2.gz CKNJVCPCXUXVFL-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN COCCn1cc(S(=O)(=O)Nc2cccc(C#N)c2C)cn1 ZINC000439049300 420477209 /nfs/dbraw/zinc/47/72/09/420477209.db2.gz HFXUOYGDXIXIRN-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN CCOC(=O)c1cc(NS(=O)(=O)c2cccc(C#N)c2)[nH]n1 ZINC000542517569 421824065 /nfs/dbraw/zinc/82/40/65/421824065.db2.gz GVDRIMDFVAFPGW-UHFFFAOYSA-N 0 2 320.330 1.259 20 30 DDEDLN CC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)nc2)nc1 ZINC000131690623 281424745 /nfs/dbraw/zinc/42/47/45/281424745.db2.gz KEAMYVYCFQRZEY-UHFFFAOYSA-N 0 2 302.315 1.352 20 30 DDEDLN N#Cc1nc(NC(=O)[C@@H]2C[C@@]23CCc2ccccc23)[nH]c1C#N ZINC000266541406 303216390 /nfs/dbraw/zinc/21/63/90/303216390.db2.gz LHVCOTZBQVHQII-YVEFUNNKSA-N 0 2 303.325 1.996 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cc4n(n3)CCO4)nc21 ZINC000570441596 332755499 /nfs/dbraw/zinc/75/54/99/332755499.db2.gz WROHHHPSFIVERS-SECBINFHSA-N 0 2 308.301 1.345 20 30 DDEDLN N#CCN1CCC(CNc2nc(C(F)(F)F)ns2)CC1 ZINC000342502746 534666227 /nfs/dbraw/zinc/66/62/27/534666227.db2.gz CBXMLBSTNBFNRI-UHFFFAOYSA-N 0 2 305.329 1.626 20 30 DDEDLN CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000331336362 527083360 /nfs/dbraw/zinc/08/33/60/527083360.db2.gz IWMKRTWJANVTAP-UHFFFAOYSA-N 0 2 323.349 1.716 20 30 DDEDLN C=CCn1cccc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000412325777 527379556 /nfs/dbraw/zinc/37/95/56/527379556.db2.gz XXVYAQXJBQJTHR-NSHDSACASA-N 0 2 301.350 1.518 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1cc(F)cc(C(=O)OC)c1F ZINC000416957496 529270914 /nfs/dbraw/zinc/27/09/14/529270914.db2.gz KZSRRQVYOIXCBU-QMMMGPOBSA-N 0 2 318.301 1.795 20 30 DDEDLN COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000818500537 597078394 /nfs/dbraw/zinc/07/83/94/597078394.db2.gz PRAOZWTTYZZCII-XJKSGUPXSA-N 0 2 316.357 1.959 20 30 DDEDLN COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000818500537 597078396 /nfs/dbraw/zinc/07/83/96/597078396.db2.gz PRAOZWTTYZZCII-XJKSGUPXSA-N 0 2 316.357 1.959 20 30 DDEDLN N#Cc1cccc(CNC(=O)C[N@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000821340634 597435049 /nfs/dbraw/zinc/43/50/49/597435049.db2.gz SCVFZYUFSDGHIH-CQSZACIVSA-N 0 2 301.346 1.114 20 30 DDEDLN N#Cc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000821340634 597435052 /nfs/dbraw/zinc/43/50/52/597435052.db2.gz SCVFZYUFSDGHIH-CQSZACIVSA-N 0 2 301.346 1.114 20 30 DDEDLN CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000736348980 599758718 /nfs/dbraw/zinc/75/87/18/599758718.db2.gz FDLWMBALQXIWBM-HOCLYGCPSA-N 0 2 303.362 1.456 20 30 DDEDLN Cc1cc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)oc1C(=O)[O-] ZINC000738383679 600317508 /nfs/dbraw/zinc/31/75/08/600317508.db2.gz CINNEKUSXXECPZ-CQSZACIVSA-N 0 2 305.378 1.952 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@](F)(C(=O)[O-])C3)C2=O)cc1 ZINC000833073743 601551088 /nfs/dbraw/zinc/55/10/88/601551088.db2.gz XWGSAVMNAWDCAR-CJNGLKHVSA-N 0 2 317.320 1.162 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@](F)(C(=O)[O-])C3)C2=O)cc1 ZINC000833073743 601551089 /nfs/dbraw/zinc/55/10/89/601551089.db2.gz XWGSAVMNAWDCAR-CJNGLKHVSA-N 0 2 317.320 1.162 20 30 DDEDLN N#Cc1ccc(CSCC(=O)OCc2n[nH]c(=O)[nH]2)cc1 ZINC000774922248 697942304 /nfs/dbraw/zinc/94/23/04/697942304.db2.gz QQNXASMPKGTALK-UHFFFAOYSA-N 0 2 304.331 1.359 20 30 DDEDLN COCc1ncsc1C(=O)[C@@H](C#N)C(=O)Nc1ccccn1 ZINC000793121580 699734097 /nfs/dbraw/zinc/73/40/97/699734097.db2.gz DYKAQIORYWOUAH-SECBINFHSA-N 0 2 316.342 1.646 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)N3CC(F)C3)cc2[nH]c1=S ZINC000753073932 700405814 /nfs/dbraw/zinc/40/58/14/700405814.db2.gz JJSLGAVXUTUSAW-UHFFFAOYSA-N 0 2 319.361 1.665 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2cccc3c2COC3=O)s1 ZINC000759151981 700739209 /nfs/dbraw/zinc/73/92/09/700739209.db2.gz WDMDSJGHIPGWMJ-UHFFFAOYSA-N 0 2 321.339 1.486 20 30 DDEDLN N#CC(C(=O)CN1C(=O)COc2ccccc21)c1ccncn1 ZINC000760357225 700804554 /nfs/dbraw/zinc/80/45/54/700804554.db2.gz KLMNNBRIXJBZPM-NSHDSACASA-N 0 2 308.297 1.078 20 30 DDEDLN N#C[C@H](C(=O)CN1C(=O)COc2ccccc21)c1ccncn1 ZINC000760357225 700804557 /nfs/dbraw/zinc/80/45/57/700804557.db2.gz KLMNNBRIXJBZPM-NSHDSACASA-N 0 2 308.297 1.078 20 30 DDEDLN CCCCCCNC(=O)C(C#N)=C([O-])c1c[nH+]c2n1CCC2 ZINC000850753174 703749903 /nfs/dbraw/zinc/74/99/03/703749903.db2.gz ZAXWFMFGYXVZAE-LBPRGKRZSA-N 0 2 302.378 1.848 20 30 DDEDLN CCOC(=O)C[C@H](NC(=O)C(F)C(F)(F)F)C(F)(F)F ZINC000855516767 704490136 /nfs/dbraw/zinc/49/01/36/704490136.db2.gz CWEGJJNOECYQTA-NJGYIYPDSA-N 0 2 313.169 1.887 20 30 DDEDLN C#CC(C)(C)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000859372743 704881850 /nfs/dbraw/zinc/88/18/50/704881850.db2.gz CJLPHKCKXQXXKV-UHFFFAOYSA-N 0 2 302.252 1.600 20 30 DDEDLN C=C[C@H](C)ONC(=O)Cc1occ(C)c1C(=O)NO[C@@H](C)C=C ZINC000824233627 705405418 /nfs/dbraw/zinc/40/54/18/705405418.db2.gz WESOULQKLFRJFI-RYUDHWBXSA-N 0 2 322.361 1.989 20 30 DDEDLN C[C@@H](C#N)N(C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000875755048 705501001 /nfs/dbraw/zinc/50/10/01/705501001.db2.gz CICWTJHEPPVRPI-ZETCQYMHSA-N 0 2 303.240 1.442 20 30 DDEDLN CO[C@H](Cc1ccccc1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000835235866 707201967 /nfs/dbraw/zinc/20/19/67/707201967.db2.gz UKSQNOMGKXVKKM-ZIAGYGMSSA-N 0 2 311.341 1.569 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC000909627503 709546714 /nfs/dbraw/zinc/54/67/14/709546714.db2.gz UUQSUCAUTGKOOZ-HNNXBMFYSA-N 0 2 316.357 1.567 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC000909627503 709546716 /nfs/dbraw/zinc/54/67/16/709546716.db2.gz UUQSUCAUTGKOOZ-HNNXBMFYSA-N 0 2 316.357 1.567 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccn([C@@H](CCC)C(=O)[O-])n1 ZINC000909954232 709706588 /nfs/dbraw/zinc/70/65/88/709706588.db2.gz OOVBHBQIRURYKR-STQMWFEESA-N 0 2 318.377 1.345 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccn([C@@H](CCC)C(=O)[O-])n1 ZINC000909954232 709706590 /nfs/dbraw/zinc/70/65/90/709706590.db2.gz OOVBHBQIRURYKR-STQMWFEESA-N 0 2 318.377 1.345 20 30 DDEDLN C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1OC ZINC000901912193 710172858 /nfs/dbraw/zinc/17/28/58/710172858.db2.gz QOBRHYAPDVKJRH-MLGOLLRUSA-N 0 2 321.373 1.934 20 30 DDEDLN C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C(=O)[O-])C2)cc1OC ZINC000901912193 710172859 /nfs/dbraw/zinc/17/28/59/710172859.db2.gz QOBRHYAPDVKJRH-MLGOLLRUSA-N 0 2 321.373 1.934 20 30 DDEDLN C#Cc1ccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1 ZINC000902000188 710198191 /nfs/dbraw/zinc/19/81/91/710198191.db2.gz ZYXLAMPNZFDIAT-AWEZNQCLSA-N 0 2 317.370 1.627 20 30 DDEDLN O=S1(=O)CC[C@@H](NN=Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000916239682 713448152 /nfs/dbraw/zinc/44/81/52/713448152.db2.gz HBHKTHHOJUEYDY-SECBINFHSA-N 0 2 323.201 1.810 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000938694827 715962227 /nfs/dbraw/zinc/96/22/27/715962227.db2.gz FRGZGZHQBZLFSZ-UWVGGRQHSA-N 0 2 322.302 1.960 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC000938694827 715962228 /nfs/dbraw/zinc/96/22/28/715962228.db2.gz FRGZGZHQBZLFSZ-UWVGGRQHSA-N 0 2 322.302 1.960 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[nH]3)CC[C@@H]2C)C1 ZINC000968274402 719483022 /nfs/dbraw/zinc/48/30/22/719483022.db2.gz LJRFRKQNTYNQBK-RYUDHWBXSA-N 0 2 319.409 1.193 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)CNc1ccncc1C#N ZINC001104237294 732736384 /nfs/dbraw/zinc/73/63/84/732736384.db2.gz VSQZQXVWYAJWBK-LDYMZIIASA-N 0 2 318.274 1.440 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)CNc1ccncc1C#N ZINC001104237294 732736387 /nfs/dbraw/zinc/73/63/87/732736387.db2.gz VSQZQXVWYAJWBK-LDYMZIIASA-N 0 2 318.274 1.440 20 30 DDEDLN COCc1oncc1C(=O)Nc1c(C#N)csc1C(=O)OC ZINC001188319754 744689108 /nfs/dbraw/zinc/68/91/08/744689108.db2.gz LGZOFAVICBNQHG-UHFFFAOYSA-N 0 2 321.314 1.793 20 30 DDEDLN COC(=O)c1cc(C#N)cc(NS(=O)(=O)c2ccoc2)c1 ZINC001188614343 744727791 /nfs/dbraw/zinc/72/77/91/744727791.db2.gz UTNDDYNJVIUXGY-UHFFFAOYSA-N 0 2 306.299 1.739 20 30 DDEDLN C[C@H](CCNc1nccnc1C#N)NC(=O)C(F)C(F)(F)F ZINC001106604003 745827879 /nfs/dbraw/zinc/82/78/79/745827879.db2.gz UIVNMOURNDYSMC-APPZFPTMSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNc1nccnc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001106604003 745827885 /nfs/dbraw/zinc/82/78/85/745827885.db2.gz UIVNMOURNDYSMC-APPZFPTMSA-N 0 2 319.262 1.555 20 30 DDEDLN COc1ccc(C(C)=O)c(NS(=O)(=O)CC#N)c1Cl ZINC001192981163 745940406 /nfs/dbraw/zinc/94/04/06/745940406.db2.gz YECFOYIQXNWKLD-UHFFFAOYSA-N 0 2 302.739 1.816 20 30 DDEDLN C#Cc1cc(NS(=O)(=O)c2cc(OC)ccc2C#N)ccn1 ZINC001193641344 746158408 /nfs/dbraw/zinc/15/84/08/746158408.db2.gz XQUAQGJAEABPST-UHFFFAOYSA-N 0 2 313.338 1.166 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2ccc(C#N)c3ncccc23)[nH]n1 ZINC001194294644 746347912 /nfs/dbraw/zinc/34/79/12/746347912.db2.gz PVMDPMKOQBLNCA-UHFFFAOYSA-N 0 2 321.296 1.868 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2ccc(C#N)c3ncccc23)n[nH]1 ZINC001194294644 746347915 /nfs/dbraw/zinc/34/79/15/746347915.db2.gz PVMDPMKOQBLNCA-UHFFFAOYSA-N 0 2 321.296 1.868 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1c(C)cccc1Cl ZINC001195328353 746567468 /nfs/dbraw/zinc/56/74/68/746567468.db2.gz PGBFZYRJYTXAMR-JTQLQIEISA-N 0 2 316.766 1.382 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cnc(C#N)c(C)c2)cn1 ZINC001195695127 746680693 /nfs/dbraw/zinc/68/06/93/746680693.db2.gz NMDVDFWXYFFWEX-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN COC(=O)CCCCS(=O)(=O)Nc1cc(C)cnc1C#N ZINC001196921853 746997277 /nfs/dbraw/zinc/99/72/77/746997277.db2.gz AVHDEXNBYNWQOE-UHFFFAOYSA-N 0 2 311.363 1.347 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)Cc1ccccn1 ZINC001197829303 747292437 /nfs/dbraw/zinc/29/24/37/747292437.db2.gz POZMRROFDHKOIB-UHFFFAOYSA-N 0 2 303.343 1.904 20 30 DDEDLN N#Cc1ccnc(NS(=O)(=O)c2ccc3nccnc3c2)c1 ZINC001198105521 747380812 /nfs/dbraw/zinc/38/08/12/747380812.db2.gz ORVOQGMEVRFTMW-UHFFFAOYSA-N 0 2 311.326 1.697 20 30 DDEDLN C[C@H](CNc1ncccc1C#N)NC(=O)C(F)C(F)(F)F ZINC001108170952 753345724 /nfs/dbraw/zinc/34/57/24/753345724.db2.gz UVACIKAUDZSRKR-APPZFPTMSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@H](CNc1ncccc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001108170952 753345733 /nfs/dbraw/zinc/34/57/33/753345733.db2.gz UVACIKAUDZSRKR-APPZFPTMSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)C(F)C(F)(F)F ZINC001109275247 763537033 /nfs/dbraw/zinc/53/70/33/763537033.db2.gz OHVFKTQMJDNURG-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001109275247 763537036 /nfs/dbraw/zinc/53/70/36/763537036.db2.gz OHVFKTQMJDNURG-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN CN(CCCNc1cnc(C#N)cn1)C(=O)C(F)C(F)(F)F ZINC001109645469 763905594 /nfs/dbraw/zinc/90/55/94/763905594.db2.gz FZKKJEITRMVEJE-JTQLQIEISA-N 0 2 319.262 1.509 20 30 DDEDLN CN(CCCNc1cnc(C#N)cn1)C(=O)[C@H](F)C(F)(F)F ZINC001109645469 763905600 /nfs/dbraw/zinc/90/56/00/763905600.db2.gz FZKKJEITRMVEJE-JTQLQIEISA-N 0 2 319.262 1.509 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccc(C#N)cn1 ZINC001113934993 766425724 /nfs/dbraw/zinc/42/57/24/766425724.db2.gz SOEGZTLJUCNWHY-KWQFWETISA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1ccc(C#N)cn1 ZINC001113934993 766425731 /nfs/dbraw/zinc/42/57/31/766425731.db2.gz SOEGZTLJUCNWHY-KWQFWETISA-N 0 2 318.274 1.795 20 30 DDEDLN CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1[nH]nc(C)c1[O-] ZINC001049423787 770812462 /nfs/dbraw/zinc/81/24/62/770812462.db2.gz WGOKAUPXXCWMQI-OLZOCXBDSA-N 0 2 302.378 1.126 20 30 DDEDLN CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1[nH]nc(C)c1[O-] ZINC001049423787 770812476 /nfs/dbraw/zinc/81/24/76/770812476.db2.gz WGOKAUPXXCWMQI-OLZOCXBDSA-N 0 2 302.378 1.126 20 30 DDEDLN Cc1ccc(C#N)c(NCCNC(=O)C(F)C(F)(F)F)n1 ZINC001094182852 775519045 /nfs/dbraw/zinc/51/90/45/775519045.db2.gz QMHYXYZWJRBIRF-SECBINFHSA-N 0 2 304.247 1.690 20 30 DDEDLN Cc1ccc(C#N)c(NCCNC(=O)[C@@H](F)C(F)(F)F)n1 ZINC001094182852 775519053 /nfs/dbraw/zinc/51/90/53/775519053.db2.gz QMHYXYZWJRBIRF-SECBINFHSA-N 0 2 304.247 1.690 20 30 DDEDLN CN(CCNc1ccncc1C#N)C(=O)C(F)C(F)(F)F ZINC001102002826 777785652 /nfs/dbraw/zinc/78/56/52/777785652.db2.gz BXMPCGDKMFJAAB-JTQLQIEISA-N 0 2 304.247 1.146 20 30 DDEDLN CN(CCNc1ccncc1C#N)C(=O)[C@H](F)C(F)(F)F ZINC001102002826 777785662 /nfs/dbraw/zinc/78/56/62/777785662.db2.gz BXMPCGDKMFJAAB-JTQLQIEISA-N 0 2 304.247 1.146 20 30 DDEDLN C=CCn1cc(Nc2nonc2-c2cn3ccncc3n2)cn1 ZINC001176544565 778166307 /nfs/dbraw/zinc/16/63/07/778166307.db2.gz XFCMYAHEYPABPN-UHFFFAOYSA-N 0 2 308.305 1.905 20 30 DDEDLN C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034401914 848468713 /nfs/dbraw/zinc/46/87/13/848468713.db2.gz WXNRZOYAJNYCKZ-KBPBESRZSA-N 0 2 302.422 1.986 20 30 DDEDLN COCCn1nccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC001258044987 855251198 /nfs/dbraw/zinc/25/11/98/855251198.db2.gz CDHHWFYHMAYMBO-UHFFFAOYSA-N 0 2 306.347 1.202 20 30 DDEDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC001320811373 867048944 /nfs/dbraw/zinc/04/89/44/867048944.db2.gz SVFRCPLXFZXOJR-UHFFFAOYSA-N 0 2 321.318 1.424 20 30 DDEDLN C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)Cc2n[nH]c(=O)[n-]2)CCCC1 ZINC001322316406 868110966 /nfs/dbraw/zinc/11/09/66/868110966.db2.gz ZQOGZCHRDULSAY-LBPRGKRZSA-N 0 2 321.425 1.583 20 30 DDEDLN C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)Cc2n[nH]c(=O)[n-]2)CCCC1 ZINC001322316406 868110969 /nfs/dbraw/zinc/11/09/69/868110969.db2.gz ZQOGZCHRDULSAY-LBPRGKRZSA-N 0 2 321.425 1.583 20 30 DDEDLN C#CCN(CC#C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC=C ZINC001338851728 870205848 /nfs/dbraw/zinc/20/58/48/870205848.db2.gz NIJKJQMRDNQKGV-UHFFFAOYSA-N 0 2 310.361 1.126 20 30 DDEDLN CSc1ncc(O)c(-c2nc(-c3ccc(C#N)cn3)no2)n1 ZINC001215054289 876552390 /nfs/dbraw/zinc/55/23/90/876552390.db2.gz WEIMCDOZFIFVEL-UHFFFAOYSA-N 0 2 312.314 1.888 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]21 ZINC001221760538 880063671 /nfs/dbraw/zinc/06/36/71/880063671.db2.gz IWJMQLPCNQNHCC-JHJVBQTASA-N 0 2 319.409 1.145 20 30 DDEDLN C=CCC1(C(=O)NC2CC[NH+](Cc3n[nH]c(=O)[n-]3)CC2)CCC1 ZINC001229029548 883781684 /nfs/dbraw/zinc/78/16/84/883781684.db2.gz FRFTXCGVUSCIOG-UHFFFAOYSA-N 0 2 319.409 1.337 20 30 DDEDLN N#C[C@H](CCc1ccccc1)C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001363156066 885600942 /nfs/dbraw/zinc/60/09/42/885600942.db2.gz ZYYXKZZTVRTSRC-LBPRGKRZSA-N 0 2 312.329 1.277 20 30 DDEDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@H]1CC2CCC1CC2 ZINC001363744841 887125044 /nfs/dbraw/zinc/12/50/44/887125044.db2.gz OYDSYXHEYOVTJU-WNYYMSAVSA-N 0 2 302.378 1.572 20 30 DDEDLN CC(C)n1nnc(NS(=O)(=O)c2ccc(CC#N)cc2)n1 ZINC001364048717 887794442 /nfs/dbraw/zinc/79/44/42/887794442.db2.gz VFDWPUMCWHYQPQ-UHFFFAOYSA-N 0 2 306.351 1.121 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2ccccc2Br)c1=O ZINC001364285490 888295633 /nfs/dbraw/zinc/29/56/33/888295633.db2.gz JYDOOLLMPPQIEM-UHFFFAOYSA-N 0 2 306.119 1.219 20 30 DDEDLN C[C@H](C#N)C(=O)NC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001385439874 889113068 /nfs/dbraw/zinc/11/30/68/889113068.db2.gz FGTTWTYTXPOULA-APPZFPTMSA-N 0 2 309.263 1.154 20 30 DDEDLN C[C@H](C#N)C(=O)NC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001385439874 889113078 /nfs/dbraw/zinc/11/30/78/889113078.db2.gz FGTTWTYTXPOULA-APPZFPTMSA-N 0 2 309.263 1.154 20 30 DDEDLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc(C#N)nc2)cc1 ZINC001251810293 894819411 /nfs/dbraw/zinc/81/94/11/894819411.db2.gz KYQHLUITOGVJQF-UHFFFAOYSA-N 0 2 317.330 1.107 20 30 DDEDLN CC(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC001258053612 898038380 /nfs/dbraw/zinc/03/83/80/898038380.db2.gz HHOGGXJOIBXGBL-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001264170880 900992901 /nfs/dbraw/zinc/99/29/01/900992901.db2.gz QBLXSRGACRZILQ-KGLIPLIRSA-N 0 2 306.410 1.042 20 30 DDEDLN C=CCCC(=O)NC1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001281347375 904708129 /nfs/dbraw/zinc/70/81/29/904708129.db2.gz WLBQKLCKLDRMOV-AMUVOQDHSA-N 0 2 310.291 1.959 20 30 DDEDLN C=CCCC(=O)NC1CC(N(C)C(=O)[C@H](F)C(F)(F)F)C1 ZINC001281347375 904708140 /nfs/dbraw/zinc/70/81/40/904708140.db2.gz WLBQKLCKLDRMOV-AMUVOQDHSA-N 0 2 310.291 1.959 20 30 DDEDLN CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(C#N)s1)[NH+](C)C ZINC001375317258 915573398 /nfs/dbraw/zinc/57/33/98/915573398.db2.gz BDNPMMPHJAZEEK-IUODEOHRSA-N 0 2 320.462 1.650 20 30 DDEDLN C=CCN(C(=O)c1cccc(-c2nc(=O)o[nH]2)c1)[C@@H](C)COC ZINC000617585371 363193810 /nfs/dbraw/zinc/19/38/10/363193810.db2.gz ZGXINXLDJNRLBG-NSHDSACASA-N 0 2 317.345 1.693 20 30 DDEDLN COC(=O)c1ccccc1CCC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000089485643 353773793 /nfs/dbraw/zinc/77/37/93/353773793.db2.gz PUSGPTAVEBUNRT-UHFFFAOYSA-N 0 2 323.312 1.511 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)nc1 ZINC000107587794 353945860 /nfs/dbraw/zinc/94/58/60/353945860.db2.gz RBSNIXBNJUXOAR-UHFFFAOYSA-N 0 2 307.269 1.549 20 30 DDEDLN N#Cc1ccc(N2CCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)cn1 ZINC000592421156 355578789 /nfs/dbraw/zinc/57/87/89/355578789.db2.gz PAQUHYZCLBZILP-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN CCn1ncc(C)c1NS(=O)(=O)c1ccc(C#N)cc1OC ZINC000594731740 356299802 /nfs/dbraw/zinc/29/98/02/356299802.db2.gz ZRFCYCZCEZDRHP-UHFFFAOYSA-N 0 2 320.374 1.893 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C2(CO)CC2)cc1C#N ZINC000598038580 357437865 /nfs/dbraw/zinc/43/78/65/357437865.db2.gz FJGQZMPHVVEDLL-QMMMGPOBSA-N 0 2 307.375 1.272 20 30 DDEDLN C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC1N=NC(=O)O1 ZINC000598746773 357714018 /nfs/dbraw/zinc/71/40/18/357714018.db2.gz VAVHALKOPJZAPQ-VIFPVBQESA-N 0 2 302.290 1.073 20 30 DDEDLN C[C@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)C[C@H](C)N1CC#N ZINC000603101962 359404675 /nfs/dbraw/zinc/40/46/75/359404675.db2.gz QWAQXDFCWUYEFW-UWVGGRQHSA-N 0 2 309.316 1.729 20 30 DDEDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000609910009 360364623 /nfs/dbraw/zinc/36/46/23/360364623.db2.gz DGCLZGKDKREGNJ-UHFFFAOYSA-N 0 2 320.330 1.177 20 30 DDEDLN C=CC[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000625702819 367098441 /nfs/dbraw/zinc/09/84/41/367098441.db2.gz HIQUNEPZDLVZFR-MRXNPFEDSA-N 0 2 317.433 1.822 20 30 DDEDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C#N)cn1 ZINC000110121880 194311726 /nfs/dbraw/zinc/31/17/26/194311726.db2.gz RHQKHUNUTDGTTB-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@@H](C)OC[C@@H]2C)cc1C#N ZINC000074523544 406914484 /nfs/dbraw/zinc/91/44/84/406914484.db2.gz ARYATEFOMFZQBZ-DTWKUNHWSA-N 0 2 307.375 1.630 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)CC2(O)CCCC2)cc1C#N ZINC000123904201 407342613 /nfs/dbraw/zinc/34/26/13/407342613.db2.gz QOZHMPPFGSCYAX-UHFFFAOYSA-N 0 2 321.402 1.346 20 30 DDEDLN COc1ccccc1-c1n[nH]c(NC(=O)c2ccc(C#N)cn2)n1 ZINC000107566505 407376533 /nfs/dbraw/zinc/37/65/33/407376533.db2.gz RGUBZSPLBNVKDN-UHFFFAOYSA-N 0 2 320.312 1.999 20 30 DDEDLN COCCc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(C)n1 ZINC000129649573 407620739 /nfs/dbraw/zinc/62/07/39/407620739.db2.gz ZRSWFGMLIRNPDC-UHFFFAOYSA-N 0 2 320.374 1.281 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCCOCC2CC2)cc1C#N ZINC000075776740 161615826 /nfs/dbraw/zinc/61/58/26/161615826.db2.gz IXSYPSNYPHMVNI-UHFFFAOYSA-N 0 2 321.402 1.927 20 30 DDEDLN CC[C@H](CCO)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000155467506 408166663 /nfs/dbraw/zinc/16/66/63/408166663.db2.gz WMYXQZTUPUMAAK-SECBINFHSA-N 0 2 309.391 1.107 20 30 DDEDLN C=CCN1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1=O ZINC000281655747 408904035 /nfs/dbraw/zinc/90/40/35/408904035.db2.gz IINAGICYBDUWBQ-GFCCVEGCSA-N 0 2 319.317 1.159 20 30 DDEDLN CC[C@@](C)(C#N)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000286144006 408931280 /nfs/dbraw/zinc/93/12/80/408931280.db2.gz RLEOYAFXSUOCFI-INIZCTEOSA-N 0 2 313.361 1.940 20 30 DDEDLN CC1(C)C[N@H+](CCNC(=O)c2ccc(F)c(C#N)c2)CCO1 ZINC000286382667 408973509 /nfs/dbraw/zinc/97/35/09/408973509.db2.gz KKGKVLGZQIZJEY-UHFFFAOYSA-N 0 2 305.353 1.538 20 30 DDEDLN CCc1nnc(CNS(=O)(=O)Cc2cccc(C#N)c2)s1 ZINC000289459128 409276237 /nfs/dbraw/zinc/27/62/37/409276237.db2.gz GSLVBDUYCXVOIC-UHFFFAOYSA-N 0 2 322.415 1.592 20 30 DDEDLN N#Cc1ccc(O[C@@H]2CCN(c3cccc(C(=O)[O-])[nH+]3)C2)nc1 ZINC000263409023 163963495 /nfs/dbraw/zinc/96/34/95/163963495.db2.gz LQTHYUPPVJCQLC-GFCCVEGCSA-N 0 2 310.313 1.704 20 30 DDEDLN CC(C)Cn1cc(NS(=O)(=O)c2cncc(C#N)c2)cn1 ZINC000290542116 409439128 /nfs/dbraw/zinc/43/91/28/409439128.db2.gz PHJJYPNJNQLYJC-UHFFFAOYSA-N 0 2 305.363 1.607 20 30 DDEDLN CCC(=O)N1CCC[C@H](C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)C1 ZINC000331483636 409561572 /nfs/dbraw/zinc/56/15/72/409561572.db2.gz JTLLGWSVVCDSJN-NSHDSACASA-N 0 2 315.377 1.746 20 30 DDEDLN Cc1[nH]c(C#N)cc1C(=O)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000331498863 409575827 /nfs/dbraw/zinc/57/58/27/409575827.db2.gz BGKIEQFFFFTSAE-NSHDSACASA-N 0 2 300.322 1.386 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1 ZINC000357133797 409896069 /nfs/dbraw/zinc/89/60/69/409896069.db2.gz OYFSKGHPNAWCCK-UHFFFAOYSA-N 0 2 313.289 1.216 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cn(C)nc2-c2ccccc2)c1C#N ZINC000357235903 409948228 /nfs/dbraw/zinc/94/82/28/409948228.db2.gz CCQTXZHLTMWWIC-UHFFFAOYSA-N 0 2 306.329 2.243 20 30 DDEDLN C[N@@H+]1CCO[C@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)C1 ZINC000329115651 410109501 /nfs/dbraw/zinc/10/95/01/410109501.db2.gz SWAJSFOGZFNPNV-NSHDSACASA-N 0 2 303.322 1.096 20 30 DDEDLN C[N@H+]1CCO[C@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)C1 ZINC000329115651 410109504 /nfs/dbraw/zinc/10/95/04/410109504.db2.gz SWAJSFOGZFNPNV-NSHDSACASA-N 0 2 303.322 1.096 20 30 DDEDLN C[N@@H+]1CCO[C@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC000329115651 410109511 /nfs/dbraw/zinc/10/95/11/410109511.db2.gz SWAJSFOGZFNPNV-NSHDSACASA-N 0 2 303.322 1.096 20 30 DDEDLN C[N@H+]1CCO[C@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC000329115651 410109514 /nfs/dbraw/zinc/10/95/14/410109514.db2.gz SWAJSFOGZFNPNV-NSHDSACASA-N 0 2 303.322 1.096 20 30 DDEDLN N#CCC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000357684164 410186242 /nfs/dbraw/zinc/18/62/42/410186242.db2.gz OKHYICKYINPLFP-UHFFFAOYSA-N 0 2 323.359 1.191 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cnc2nccnc2c1 ZINC000359714203 410832182 /nfs/dbraw/zinc/83/21/82/410832182.db2.gz GMOIWPLEQVTMAB-UHFFFAOYSA-N 0 2 305.301 1.749 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@]2(O)CCC[C@H]2C)cc1C#N ZINC000359816492 410896225 /nfs/dbraw/zinc/89/62/25/410896225.db2.gz WEODSSRVNBWLTB-PSLIRLAXSA-N 0 2 321.402 1.662 20 30 DDEDLN N#C[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CCO1 ZINC000176291119 221825233 /nfs/dbraw/zinc/82/52/33/221825233.db2.gz XQGZBHPQJNDYCO-GFCCVEGCSA-N 0 2 316.292 1.082 20 30 DDEDLN CC(C)(CCC#N)CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000360426859 418431604 /nfs/dbraw/zinc/43/16/04/418431604.db2.gz SMHFCSYSQHGAHZ-UHFFFAOYSA-N 0 2 315.333 1.496 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)cc1C#N ZINC000427793680 419737661 /nfs/dbraw/zinc/73/76/61/419737661.db2.gz BVODOJQHXKICOR-UHFFFAOYSA-N 0 2 320.378 1.409 20 30 DDEDLN C=CC[C@H](CO)CNC(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000428029447 419793311 /nfs/dbraw/zinc/79/33/11/419793311.db2.gz FTRIXARWAKQQHV-NSHDSACASA-N 0 2 303.366 1.208 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(CCO)C2CCC2)cc1C#N ZINC000440174338 420560679 /nfs/dbraw/zinc/56/06/79/420560679.db2.gz MBDLFSPJSAJSJS-UHFFFAOYSA-N 0 2 307.375 1.368 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cc4n(n3)CCCO4)nc21 ZINC000573160850 421929914 /nfs/dbraw/zinc/92/99/14/421929914.db2.gz JHFGCECGCUREJS-SNVBAGLBSA-N 0 2 322.328 1.735 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2ccc3c(c2)COC3)s1 ZINC000610725335 422472352 /nfs/dbraw/zinc/47/23/52/422472352.db2.gz WSQVGRSISQIGIX-UHFFFAOYSA-N 0 2 307.356 1.846 20 30 DDEDLN C=CCCCCCN(C)C(=O)C(=O)N=c1ncn(C(C)C)[nH]1 ZINC000651583936 423603507 /nfs/dbraw/zinc/60/35/07/423603507.db2.gz ZGDLHZRVCKKPAS-UHFFFAOYSA-N 0 2 307.398 1.424 20 30 DDEDLN Cc1cccc(-n2cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)nn2)c1 ZINC000101638791 281188469 /nfs/dbraw/zinc/18/84/69/281188469.db2.gz RPEONUDXIGDPBI-UHFFFAOYSA-N 0 2 318.300 1.294 20 30 DDEDLN Cc1cc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)c(C)n1C1CC1 ZINC000575400823 304727324 /nfs/dbraw/zinc/72/73/24/304727324.db2.gz YGPMCCSXHOBVHO-UHFFFAOYSA-N 0 2 312.329 1.044 20 30 DDEDLN C#C[C@@H](NC(=O)CSc1n[nH]c(=O)[nH]1)c1ccc(F)cc1 ZINC000491750258 527267602 /nfs/dbraw/zinc/26/76/02/527267602.db2.gz HXYVVRQVIOOSJZ-SNVBAGLBSA-N 0 2 306.322 1.232 20 30 DDEDLN C[C@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001120845276 782181549 /nfs/dbraw/zinc/18/15/49/782181549.db2.gz PFSLQCFTJDDDCZ-APPZFPTMSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CN(C)C(=O)[C@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001120845276 782181553 /nfs/dbraw/zinc/18/15/53/782181553.db2.gz PFSLQCFTJDDDCZ-APPZFPTMSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001120845981 782182571 /nfs/dbraw/zinc/18/25/71/782182571.db2.gz UBCKPXCJKRVWFJ-GZMMTYOYSA-N 0 2 318.274 1.534 20 30 DDEDLN C[C@@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001120845981 782182576 /nfs/dbraw/zinc/18/25/76/782182576.db2.gz UBCKPXCJKRVWFJ-GZMMTYOYSA-N 0 2 318.274 1.534 20 30 DDEDLN N#CCCN(C(=O)C[N@H+]1CC[C@@H](NC(=O)[O-])C1)c1ccccc1 ZINC000740307790 602439869 /nfs/dbraw/zinc/43/98/69/602439869.db2.gz BEOAXOTYXPHYJC-CYBMUJFWSA-N 0 2 316.361 1.275 20 30 DDEDLN N#CCCN(C(=O)C[N@@H+]1CC[C@@H](NC(=O)[O-])C1)c1ccccc1 ZINC000740307790 602439872 /nfs/dbraw/zinc/43/98/72/602439872.db2.gz BEOAXOTYXPHYJC-CYBMUJFWSA-N 0 2 316.361 1.275 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000833816097 605353922 /nfs/dbraw/zinc/35/39/22/605353922.db2.gz CEOPNJKBYPXHTB-SWLSCSKDSA-N 0 2 303.362 1.610 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000833816097 605353927 /nfs/dbraw/zinc/35/39/27/605353927.db2.gz CEOPNJKBYPXHTB-SWLSCSKDSA-N 0 2 303.362 1.610 20 30 DDEDLN C[C@H](Oc1ccccc1C#N)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000123211470 696729687 /nfs/dbraw/zinc/72/96/87/696729687.db2.gz KAONUEGOEIIIPD-WCQYABFASA-N 0 2 322.324 1.651 20 30 DDEDLN N#Cc1cccnc1NCCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000748043796 700096863 /nfs/dbraw/zinc/09/68/63/700096863.db2.gz VQRDDHPAZMXBFY-UHFFFAOYSA-N 0 2 318.283 1.779 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@@H]1CSCCS1 ZINC000156227297 696960035 /nfs/dbraw/zinc/96/00/35/696960035.db2.gz OBOJZVNKBIKFCQ-NXEZZACHSA-N 0 2 309.416 1.550 20 30 DDEDLN N#Cc1ccc(N2CCC[C@H](NC(=O)C(F)(F)F)C2=O)cc1 ZINC000781049488 698585809 /nfs/dbraw/zinc/58/58/09/698585809.db2.gz NBFOBGWBNKJMAU-NSHDSACASA-N 0 2 311.263 1.732 20 30 DDEDLN C[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1nnnn1C1CC1 ZINC000790099360 699443126 /nfs/dbraw/zinc/44/31/26/699443126.db2.gz NXULWTGDBDJUPX-DPVXPKBMSA-N 0 2 302.294 1.802 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N\Cc2nnnn2-c2ccccc2)c1 ZINC000730434655 699510325 /nfs/dbraw/zinc/51/03/25/699510325.db2.gz QDAXLCPKHVHSFA-SXGWCWSVSA-N 0 2 324.300 1.895 20 30 DDEDLN CCC/N=C1/NC(=O)C(CC(=O)Nc2cccc(O)c2)S1 ZINC000731357813 699527513 /nfs/dbraw/zinc/52/75/13/699527513.db2.gz QRHDXWMKXYFICG-LLVKDONJSA-N 0 2 307.375 1.718 20 30 DDEDLN N#CC(C(=O)Cn1ccc2ccccc2c1=O)c1ccncn1 ZINC000790793318 699597836 /nfs/dbraw/zinc/59/78/36/699597836.db2.gz TULPDMHLIVHGHW-CQSZACIVSA-N 0 2 304.309 1.668 20 30 DDEDLN N#C[C@@H](C(=O)Cn1ccc2ccccc2c1=O)c1ccncn1 ZINC000790793318 699597839 /nfs/dbraw/zinc/59/78/39/699597839.db2.gz TULPDMHLIVHGHW-CQSZACIVSA-N 0 2 304.309 1.668 20 30 DDEDLN CN(C)c1nccc(NN=Cc2cc([N+](=O)[O-])ccc2O)n1 ZINC000739418637 699774058 /nfs/dbraw/zinc/77/40/58/699774058.db2.gz YHWAPPJZWORNBX-UHFFFAOYSA-N 0 2 302.294 1.602 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)nc1 ZINC000743048018 699898242 /nfs/dbraw/zinc/89/82/42/699898242.db2.gz UENNBICVRHCCRU-UHFFFAOYSA-N 0 2 315.310 1.424 20 30 DDEDLN COC[C@@H](C#N)OC(=O)c1nn(-c2ccccc2F)cc1O ZINC000801378817 700301841 /nfs/dbraw/zinc/30/18/41/700301841.db2.gz PMGULCDGJOXVSE-SECBINFHSA-N 0 2 305.265 1.412 20 30 DDEDLN CN(C)c1ccc2c(c1)NC(=O)C2=NNc1ncc(F)cn1 ZINC000761829091 700870319 /nfs/dbraw/zinc/87/03/19/700870319.db2.gz YSZNROCIROABLR-UHFFFAOYSA-N 0 2 300.297 1.450 20 30 DDEDLN N#C[C@@H](C(=O)CCn1cnccc1=O)c1nc(C2CC2)cs1 ZINC000842941474 702792308 /nfs/dbraw/zinc/79/23/08/702792308.db2.gz BDHHYYJALOUXMH-NSHDSACASA-N 0 2 314.370 1.844 20 30 DDEDLN CC(C)CN1C[C@H](C(=O)NOc2cccc(C#N)c2)CC1=O ZINC000870693407 704105071 /nfs/dbraw/zinc/10/50/71/704105071.db2.gz GWSLUWRIBIKXNM-CYBMUJFWSA-N 0 2 301.346 1.473 20 30 DDEDLN CCc1nn(CCC(C)(C)C#N)c(=O)c(-c2nn[nH]n2)c1CC ZINC000821517190 704419092 /nfs/dbraw/zinc/41/90/92/704419092.db2.gz GXBVHUJGPSCBTJ-UHFFFAOYSA-N 0 2 315.381 1.488 20 30 DDEDLN Cc1nn(CCCC(C)(C)C#N)c(=O)c(-c2nn[nH]n2)c1C ZINC000822501088 704962065 /nfs/dbraw/zinc/96/20/65/704962065.db2.gz VCUQONYUYPZEKZ-UHFFFAOYSA-N 0 2 301.354 1.370 20 30 DDEDLN CCC(CC)/N=C1/NC(=O)C(CC(=O)Nc2cnccn2)S1 ZINC000864344899 706143401 /nfs/dbraw/zinc/14/34/01/706143401.db2.gz JQXACCADLHDTPI-SNVBAGLBSA-N 0 2 321.406 1.581 20 30 DDEDLN Cn1nccc1S(=O)(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000882793044 707798081 /nfs/dbraw/zinc/79/80/81/707798081.db2.gz LWOLOOKRJKIWLJ-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN N#CC[C@H](NS(=O)(=O)c1c[nH]nc1Cl)C(F)(F)F ZINC000901773259 710146245 /nfs/dbraw/zinc/14/62/45/710146245.db2.gz XMXOZVATOBHMCP-YFKPBYRVSA-N 0 2 302.665 1.186 20 30 DDEDLN CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NC1(C#N)CCCCC1 ZINC000906061264 712234042 /nfs/dbraw/zinc/23/40/42/712234042.db2.gz GJOOLKBRLLEVFQ-IBGZPJMESA-N 0 2 321.468 1.944 20 30 DDEDLN Cc1sc(=O)n(CC(=O)[C@H](C#N)c2cc(C)nc(C)n2)c1C ZINC000920107508 713651842 /nfs/dbraw/zinc/65/18/42/713651842.db2.gz AUZUWYOIKRCHKH-GFCCVEGCSA-N 0 2 316.386 1.810 20 30 DDEDLN COC(=O)c1nn(CN(CCC#N)CCC#N)c(C)c1Cl ZINC000921184929 713719141 /nfs/dbraw/zinc/71/91/41/713719141.db2.gz AYUAEJPLASAVNU-UHFFFAOYSA-N 0 2 309.757 1.718 20 30 DDEDLN C#CC[NH+]1CCC2(CCN(C(=O)c3[nH]nc(C)c3[O-])CC2)CC1 ZINC000957534312 715943689 /nfs/dbraw/zinc/94/36/89/715943689.db2.gz JRERAEMAESELLR-UHFFFAOYSA-N 0 2 316.405 1.375 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)CNc1cnc(C#N)cn1 ZINC001104237417 732738405 /nfs/dbraw/zinc/73/84/05/732738405.db2.gz XUDPQHBLCAPPRR-XCBNKYQSSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)CNc1cnc(C#N)cn1 ZINC001104237417 732738408 /nfs/dbraw/zinc/73/84/08/732738408.db2.gz XUDPQHBLCAPPRR-XCBNKYQSSA-N 0 2 319.262 1.413 20 30 DDEDLN N#Cc1ccc(C[NH2+]CCCNC(=O)Cc2c[nH]c[nH+]2)c(F)c1 ZINC001167355724 733282942 /nfs/dbraw/zinc/28/29/42/733282942.db2.gz XLXYBMLPXKWMTJ-UHFFFAOYSA-N 0 2 315.352 1.259 20 30 DDEDLN C=CCO[C@@H]1CCN(c2nnc(-c3c[nH]n(CC)c3=O)n2C)C1 ZINC001121423788 782503135 /nfs/dbraw/zinc/50/31/35/782503135.db2.gz ASBNDWLGPKWJMW-LLVKDONJSA-N 0 2 318.381 1.185 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)Cc2cc(F)ccc2F)cn1 ZINC001189644223 744932713 /nfs/dbraw/zinc/93/27/13/744932713.db2.gz PPBBEZLVNVJRPF-UHFFFAOYSA-N 0 2 310.285 1.568 20 30 DDEDLN C=CCOC(=O)c1ccc(NS(=O)(=O)[C@@H](C)C#N)c(F)c1 ZINC001193146496 745996617 /nfs/dbraw/zinc/99/66/17/745996617.db2.gz OFXNTBWEPPCAHA-VIFPVBQESA-N 0 2 312.322 1.822 20 30 DDEDLN CCc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)[C@@H](C)C#N ZINC001193158003 746001662 /nfs/dbraw/zinc/00/16/62/746001662.db2.gz KJROUKQLGRFLCH-VIFPVBQESA-N 0 2 316.404 1.306 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)Cc2noc3ccccc32)CCC1=O ZINC001194077606 746273224 /nfs/dbraw/zinc/27/32/24/746273224.db2.gz YCSMQUFMDQRFDV-SNVBAGLBSA-N 0 2 319.342 1.072 20 30 DDEDLN C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001194118895 746279417 /nfs/dbraw/zinc/27/94/17/746279417.db2.gz KTLGPIZWASOXPS-HZPDHXFCSA-N 0 2 314.389 1.304 20 30 DDEDLN CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001033932930 750155221 /nfs/dbraw/zinc/15/52/21/750155221.db2.gz UQXDUTPPFVUBKV-SJORKVTESA-N 0 2 321.465 1.042 20 30 DDEDLN C[C@H](C#N)C(=O)NC1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC001063306312 754079643 /nfs/dbraw/zinc/07/96/43/754079643.db2.gz WHURFMPSLRLULQ-HTQZYQBOSA-N 0 2 309.263 1.202 20 30 DDEDLN C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001063306312 754079645 /nfs/dbraw/zinc/07/96/45/754079645.db2.gz WHURFMPSLRLULQ-HTQZYQBOSA-N 0 2 309.263 1.202 20 30 DDEDLN C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001079700588 755536367 /nfs/dbraw/zinc/53/63/67/755536367.db2.gz FCAZMSJGSKDEMY-BPLDGKMQSA-N 0 2 300.406 1.289 20 30 DDEDLN C=C(C)CCC(=O)N(CC)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001267785575 838973792 /nfs/dbraw/zinc/97/37/92/838973792.db2.gz GFOMBKLRUFSSOO-LBPRGKRZSA-N 0 2 307.398 1.289 20 30 DDEDLN C=C(C)CCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001267785575 838973797 /nfs/dbraw/zinc/97/37/97/838973797.db2.gz GFOMBKLRUFSSOO-LBPRGKRZSA-N 0 2 307.398 1.289 20 30 DDEDLN C=CCO[C@@H]1CCN(c2nnc(-c3n[nH]c(Cl)n3)n2CC)C1 ZINC001121770772 858593149 /nfs/dbraw/zinc/59/31/49/858593149.db2.gz SPWUTVLEGNPOTD-SECBINFHSA-N 0 2 323.788 1.518 20 30 DDEDLN N#C[C@H](NC(=O)c1c[nH]c2cccnc2c1=O)c1ccccc1 ZINC001153854073 864162364 /nfs/dbraw/zinc/16/23/64/864162364.db2.gz KOKBIBRKUSZQKY-AWEZNQCLSA-N 0 2 304.309 1.918 20 30 DDEDLN C#CCCCC(=O)NC[C@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC001334239959 867415109 /nfs/dbraw/zinc/41/51/09/867415109.db2.gz XWNZMBQVJUOYFE-ONGXEEELSA-N 0 2 310.291 1.653 20 30 DDEDLN C#CCCCC(=O)NC[C@H](C)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001334239959 867415115 /nfs/dbraw/zinc/41/51/15/867415115.db2.gz XWNZMBQVJUOYFE-ONGXEEELSA-N 0 2 310.291 1.653 20 30 DDEDLN N#C[C@@H](NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)C1CC1 ZINC001334976566 867965024 /nfs/dbraw/zinc/96/50/24/867965024.db2.gz WUMYXFWJQMQQIM-SECBINFHSA-N 0 2 315.251 1.490 20 30 DDEDLN C#C[C@H]1CCCN(c2nnc(-c3c[nH]n(CC)c3=O)n2C)C1 ZINC001338487898 870008519 /nfs/dbraw/zinc/00/85/19/870008519.db2.gz KUMCDDSUDXZTMQ-NSHDSACASA-N 0 2 300.366 1.254 20 30 DDEDLN C=CCOC(=O)N1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC001204156673 870970002 /nfs/dbraw/zinc/97/00/02/870970002.db2.gz BPVBVFASJPIDHD-UHFFFAOYSA-N 0 2 304.346 1.825 20 30 DDEDLN CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)NOc1cccc(C#N)c1 ZINC001302374088 871065376 /nfs/dbraw/zinc/06/53/76/871065376.db2.gz SFQATYMFRCVLLY-QWHCGFSZSA-N 0 2 317.345 1.881 20 30 DDEDLN C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N(C)C[C@@H](C)C#N ZINC001343314109 872576679 /nfs/dbraw/zinc/57/66/79/872576679.db2.gz AUIYXFICYBJREY-VIFPVBQESA-N 0 2 320.788 1.889 20 30 DDEDLN C=CCCC(=O)N(C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001350701325 875844695 /nfs/dbraw/zinc/84/46/95/875844695.db2.gz WVINRDXJVXKMBK-MWLCHTKSSA-N 0 2 310.291 1.912 20 30 DDEDLN C=CCCC(=O)N(C)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001350701325 875844710 /nfs/dbraw/zinc/84/47/10/875844710.db2.gz WVINRDXJVXKMBK-MWLCHTKSSA-N 0 2 310.291 1.912 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H](C)CNC(=O)C(F)C(F)(F)F)C1 ZINC001354458885 877995346 /nfs/dbraw/zinc/99/53/46/877995346.db2.gz KGUSGRZTSXHGRG-DTWKUNHWSA-N 0 2 310.291 1.864 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001354458885 877995356 /nfs/dbraw/zinc/99/53/56/877995356.db2.gz KGUSGRZTSXHGRG-DTWKUNHWSA-N 0 2 310.291 1.864 20 30 DDEDLN O=C1C=C[C@@H](Oc2nc(I)cc(=O)[nH]2)C1 ZINC001228948585 883744688 /nfs/dbraw/zinc/74/46/88/883744688.db2.gz DEOWCPHLQQOYIU-ZCFIWIBFSA-N 0 2 318.070 1.063 20 30 DDEDLN O=C1C=C[C@@H](Oc2ccc(C[C@H]3SC(=O)NC3=O)cc2)C1 ZINC001229624795 884082577 /nfs/dbraw/zinc/08/25/77/884082577.db2.gz OJPJXWSSZFQSHP-CHWSQXEVSA-N 0 2 303.339 1.857 20 30 DDEDLN CC(C)[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)c1cccnc1 ZINC001365218827 890377717 /nfs/dbraw/zinc/37/77/17/890377717.db2.gz XFRQNEQPHRPUBV-CYBMUJFWSA-N 0 2 313.361 1.192 20 30 DDEDLN C=CCOC[C@@H]([NH2+]Cc1cnc([C@@H]2CCCO2)s1)C(=O)[O-] ZINC001262157626 899990587 /nfs/dbraw/zinc/99/05/87/899990587.db2.gz KMEDYAIVHVLROX-NEPJUHHUSA-N 0 2 312.391 1.740 20 30 DDEDLN CCC[NH+](C)CC(=O)NCC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC001372191995 906685278 /nfs/dbraw/zinc/68/52/78/906685278.db2.gz OJGMUEQGNVFXMQ-UHFFFAOYSA-N 0 2 320.412 1.587 20 30 DDEDLN C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@H](C)[NH+]1CCOCC1 ZINC000105356552 295691737 /nfs/dbraw/zinc/69/17/37/295691737.db2.gz FNIDQFUWRROXAU-GIBJHAEVSA-N 0 2 307.350 1.829 20 30 DDEDLN O=C(NC1=NC(=O)CN1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000050222426 352564539 /nfs/dbraw/zinc/56/45/39/352564539.db2.gz GSQMXGKITKEWAG-UHFFFAOYSA-N 0 2 309.709 1.292 20 30 DDEDLN C=CCNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000350700451 354607245 /nfs/dbraw/zinc/60/72/45/354607245.db2.gz FMMNENUFIRBNST-UHFFFAOYSA-N 0 2 304.262 1.195 20 30 DDEDLN N#Cc1ccc(O[C@H]2CCN(c3[nH+]cccc3C(=O)[O-])C2)nc1 ZINC000592421102 355578343 /nfs/dbraw/zinc/57/83/43/355578343.db2.gz MUDUGVFQRNEELB-LBPRGKRZSA-N 0 2 310.313 1.704 20 30 DDEDLN N#CC1(CNC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)CCCC1 ZINC000597808448 357339222 /nfs/dbraw/zinc/33/92/22/357339222.db2.gz KLFWGGMRGSTWEQ-UHFFFAOYSA-N 0 2 312.329 1.844 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N(C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000601802585 358699486 /nfs/dbraw/zinc/69/94/86/358699486.db2.gz UYCVWSWOBOXVBV-XTCJLCLGSA-N 0 2 320.414 1.953 20 30 DDEDLN CC(C)CCc1nnc(NS(=O)(=O)c2ccc(C#N)nc2)o1 ZINC000194876995 201305555 /nfs/dbraw/zinc/30/55/55/201305555.db2.gz UNOAKKNBADSAHO-UHFFFAOYSA-N 0 2 321.362 1.726 20 30 DDEDLN N#Cc1ccc(CNC(=O)CSc2n[nH]c(=O)[nH]2)cc1Cl ZINC000619780307 364148102 /nfs/dbraw/zinc/14/81/02/364148102.db2.gz IOADJHPFOVKBRB-UHFFFAOYSA-N 0 2 323.765 1.444 20 30 DDEDLN CC(=O)c1ccc(S(=O)(=O)Nc2c(C#N)cnn2C)cc1 ZINC000093342363 193235996 /nfs/dbraw/zinc/23/59/96/193235996.db2.gz NRUQQFDVDOLTIE-UHFFFAOYSA-N 0 2 304.331 1.295 20 30 DDEDLN C=CCSCCNC(=O)NCc1cccc(-n2cncn2)c1 ZINC000265440218 204613739 /nfs/dbraw/zinc/61/37/39/204613739.db2.gz UMPCTHXPSNXJIA-UHFFFAOYSA-N 0 2 317.418 1.986 20 30 DDEDLN C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C(=O)[O-] ZINC000061172636 184164232 /nfs/dbraw/zinc/16/42/32/184164232.db2.gz VWNKZKNMRZRBIY-UHFFFAOYSA-N 0 2 309.753 1.945 20 30 DDEDLN C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C(=O)[O-] ZINC000061172636 184164233 /nfs/dbraw/zinc/16/42/33/184164233.db2.gz VWNKZKNMRZRBIY-UHFFFAOYSA-N 0 2 309.753 1.945 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)c(OC)n1 ZINC000006415875 406740110 /nfs/dbraw/zinc/74/01/10/406740110.db2.gz NUPVQQPOTMRGQI-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN CCC(CC)[C@H](O)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000111655120 407413148 /nfs/dbraw/zinc/41/31/48/407413148.db2.gz RLLMEBIPTGNMPP-GFCCVEGCSA-N 0 2 323.418 1.495 20 30 DDEDLN N#C[C@@H]1CSCCN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000271731090 407728763 /nfs/dbraw/zinc/72/87/63/407728763.db2.gz MYZSHABDRGFQAW-GFCCVEGCSA-N 0 2 314.370 1.659 20 30 DDEDLN COc1cc(F)c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1OC ZINC000132904697 407806090 /nfs/dbraw/zinc/80/60/90/407806090.db2.gz PYCPMLXKGLFABL-UHFFFAOYSA-N 0 2 315.264 1.562 20 30 DDEDLN N#CCCn1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000117989521 407876601 /nfs/dbraw/zinc/87/66/01/407876601.db2.gz CGRVKMLOTQQOGG-UHFFFAOYSA-N 0 2 301.262 1.663 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC(C)(C)C[C@H](C)O)cc1C#N ZINC000349760777 409909452 /nfs/dbraw/zinc/90/94/52/409909452.db2.gz YRQUVIJSLIBJPF-VIFPVBQESA-N 0 2 323.418 1.908 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2nnn(-c3ccccc3)c2C)c1C#N ZINC000357250354 409952460 /nfs/dbraw/zinc/95/24/60/409952460.db2.gz YQJPRZHUKPJBSZ-UHFFFAOYSA-N 0 2 307.317 1.731 20 30 DDEDLN N#Cc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(F)c1 ZINC000352015597 410417070 /nfs/dbraw/zinc/41/70/70/410417070.db2.gz ZZVJULXJBUCXNJ-ARJAWSKDSA-N 0 2 302.221 1.977 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCO[C@H](C)C2)cc1C#N ZINC000355390975 410488607 /nfs/dbraw/zinc/48/86/07/410488607.db2.gz HBJUPUCUGZXMPC-SCZZXKLOSA-N 0 2 307.375 1.678 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cnc(C(F)(F)F)nc1 ZINC000359717810 410832108 /nfs/dbraw/zinc/83/21/08/410832108.db2.gz OPNBOMWGYXRMGW-UHFFFAOYSA-N 0 2 322.250 2.220 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000359720182 410835708 /nfs/dbraw/zinc/83/57/08/410835708.db2.gz ARMWDDUBGWZQRB-UHFFFAOYSA-N 0 2 312.289 1.901 20 30 DDEDLN C[N@H+](Cc1cnc2ccc(C#N)cn12)C1CC[NH+](CCO)CC1 ZINC000353362126 410943051 /nfs/dbraw/zinc/94/30/51/410943051.db2.gz CYXLTQQDQUJJPR-UHFFFAOYSA-N 0 2 313.405 1.094 20 30 DDEDLN C=C(CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1ccccc1 ZINC000360220328 411105472 /nfs/dbraw/zinc/10/54/72/411105472.db2.gz HTBYYLXXWXCXMC-UHFFFAOYSA-N 0 2 322.324 1.879 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCCC[C@@H]2O)cc1C#N ZINC000360551061 418461669 /nfs/dbraw/zinc/46/16/69/418461669.db2.gz RMRVWFHRBSSENF-NEPJUHHUSA-N 0 2 321.402 1.804 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(OC(F)F)cn2)[nH]c1C#N ZINC000361386485 418642003 /nfs/dbraw/zinc/64/20/03/418642003.db2.gz LCERQEZTNQCBJW-UHFFFAOYSA-N 0 2 304.216 1.402 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2ccc(C#N)s2)ccc1C(N)=O ZINC000435479416 229391126 /nfs/dbraw/zinc/39/11/26/229391126.db2.gz KQNXXNQYUDXRCA-UHFFFAOYSA-N 0 2 321.383 1.828 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc(OCCO)cc2)s1 ZINC000435490889 229391505 /nfs/dbraw/zinc/39/15/05/229391505.db2.gz JHHXAYWHLJLSHB-UHFFFAOYSA-N 0 2 324.383 1.792 20 30 DDEDLN CN(C)c1cc(NS(=O)(=O)c2ccc(C#N)cc2)ncn1 ZINC000430055853 420074592 /nfs/dbraw/zinc/07/45/92/420074592.db2.gz ZPUZWHIWEMITLE-UHFFFAOYSA-N 0 2 303.347 1.215 20 30 DDEDLN CC[C@H]1COCCN1C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000086335551 264267851 /nfs/dbraw/zinc/26/78/51/264267851.db2.gz WTELZEKDUXFYPW-JTQLQIEISA-N 0 2 307.375 1.632 20 30 DDEDLN C=CCCn1cc(C[NH2+]Cc2ccc(C(=O)NCC)cc2)nn1 ZINC000657309328 424281452 /nfs/dbraw/zinc/28/14/52/424281452.db2.gz BKPDJFJLEUXRLH-UHFFFAOYSA-N 0 2 313.405 1.894 20 30 DDEDLN Cc1cc2ncc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)c(C)n2n1 ZINC000356702736 267366785 /nfs/dbraw/zinc/36/67/85/267366785.db2.gz IFXZZVHZWDKRFG-UHFFFAOYSA-N 0 2 306.289 1.065 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cnn4c3OCCC4)nc21 ZINC000518287356 332006757 /nfs/dbraw/zinc/00/67/57/332006757.db2.gz AHLIAVRFDPNGBL-JTQLQIEISA-N 0 2 322.328 1.735 20 30 DDEDLN N#CCc1ccc(OC[C@H](O)CSc2n[nH]c(=O)[nH]2)cc1 ZINC000565240779 332658836 /nfs/dbraw/zinc/65/88/36/332658836.db2.gz DWGMYRQORHTNQQ-JTQLQIEISA-N 0 2 306.347 1.108 20 30 DDEDLN CCOc1cnc(C(=O)[C@@H](C#N)c2nc3c(nccc3C)[nH]2)cn1 ZINC000681724032 486501256 /nfs/dbraw/zinc/50/12/56/486501256.db2.gz SWCFUOFTCDKVQS-SNVBAGLBSA-N 0 2 322.328 1.945 20 30 DDEDLN Cc1cccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C(=O)[O-])c1C ZINC000818944237 597470690 /nfs/dbraw/zinc/47/06/90/597470690.db2.gz JSZVKPSLQHRXBL-AWEZNQCLSA-N 0 2 317.389 1.955 20 30 DDEDLN Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C(=O)[O-])c1C ZINC000818944237 597470686 /nfs/dbraw/zinc/47/06/86/597470686.db2.gz JSZVKPSLQHRXBL-AWEZNQCLSA-N 0 2 317.389 1.955 20 30 DDEDLN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC(=O)[O-])c1 ZINC000820968001 598042778 /nfs/dbraw/zinc/04/27/78/598042778.db2.gz CMRUSOZBBIZOCW-CQSZACIVSA-N 0 2 317.389 1.955 20 30 DDEDLN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC(=O)[O-])c1 ZINC000820968001 598042781 /nfs/dbraw/zinc/04/27/81/598042781.db2.gz CMRUSOZBBIZOCW-CQSZACIVSA-N 0 2 317.389 1.955 20 30 DDEDLN C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000819846980 598224677 /nfs/dbraw/zinc/22/46/77/598224677.db2.gz IZJRSNCRFVKSHG-HNNXBMFYSA-N 0 2 316.292 1.954 20 30 DDEDLN CCSCCC=Nn1c(C)cc(C)c(-c2nn[nH]n2)c1=O ZINC000825674514 609276691 /nfs/dbraw/zinc/27/66/91/609276691.db2.gz NCQBCEBXRKSEBP-UHFFFAOYSA-N 0 2 306.395 1.622 20 30 DDEDLN CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)C(C)(C)C1 ZINC000977502271 696191323 /nfs/dbraw/zinc/19/13/23/696191323.db2.gz UFJMVVIIUJUWSZ-MRXNPFEDSA-N 0 2 314.433 1.611 20 30 DDEDLN C=CCN(CCc1ccco1)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000779144211 698399033 /nfs/dbraw/zinc/39/90/33/698399033.db2.gz WBFLSSFUNKJEBO-NSHDSACASA-N 0 2 307.375 1.393 20 30 DDEDLN COc1ccc(C=NNc2[nH+]ccn2C)c(OCC(=O)[O-])c1 ZINC000790301526 699452737 /nfs/dbraw/zinc/45/27/37/699452737.db2.gz FKAZHHGKYITYFX-UHFFFAOYSA-N 0 2 304.306 1.338 20 30 DDEDLN C#Cc1cccc(N(CC)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)c1 ZINC000730545517 699512384 /nfs/dbraw/zinc/51/23/84/699512384.db2.gz IOPJNCCAMBDIEE-UHFFFAOYSA-N 0 2 321.340 1.106 20 30 DDEDLN CCOc1ccc(C#N)cc1NC(=O)CC1SC(=N)NC1=O ZINC000742581239 699882518 /nfs/dbraw/zinc/88/25/18/699882518.db2.gz PNQBADZHXFLJOT-LLVKDONJSA-N 0 2 318.358 1.452 20 30 DDEDLN CC(=NNS(=O)(=O)C(C)C)c1cc([N+](=O)[O-])ccc1O ZINC000758116628 700684524 /nfs/dbraw/zinc/68/45/24/700684524.db2.gz MODXOWXNAKSGHB-UHFFFAOYSA-N 0 2 301.324 1.352 20 30 DDEDLN C[C@@H]1C(NN=c2ncc(F)c[nH]2)=CC(=O)N1C(=O)OC(C)(C)C ZINC000766453818 701051511 /nfs/dbraw/zinc/05/15/11/701051511.db2.gz SXVNXWHTNDFIKS-MRVPVSSYSA-N 0 2 323.328 1.940 20 30 DDEDLN C#CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1SC(=N)NC1=O ZINC000804457235 701191742 /nfs/dbraw/zinc/19/17/42/701191742.db2.gz QPKNCYRXJRRHMZ-STQMWFEESA-N 0 2 315.398 1.294 20 30 DDEDLN C[C@@H](Oc1ccc(C=NNCCCn2cc[nH+]c2)cc1)C(=O)[O-] ZINC000848417039 703547864 /nfs/dbraw/zinc/54/78/64/703547864.db2.gz IQAUWMDVPJGVJI-CYBMUJFWSA-N 0 2 316.361 1.749 20 30 DDEDLN Cc1cccc(COCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c1 ZINC000857013486 704547200 /nfs/dbraw/zinc/54/72/00/704547200.db2.gz SCYIZBOVKWEWFQ-CQSZACIVSA-N 0 2 311.341 1.837 20 30 DDEDLN C=C(C)C[C@H](CO)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000882845544 707815847 /nfs/dbraw/zinc/81/58/47/707815847.db2.gz QVXAHZZGIIFHFI-SECBINFHSA-N 0 2 320.798 1.811 20 30 DDEDLN C=C1CC(C)(C(=O)N2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001011240126 734977962 /nfs/dbraw/zinc/97/79/62/734977962.db2.gz OLCYGACELUPJIC-JTQLQIEISA-N 0 2 322.302 1.914 20 30 DDEDLN C=C1CC(C)(C(=O)N2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001011240126 734977963 /nfs/dbraw/zinc/97/79/63/734977963.db2.gz OLCYGACELUPJIC-JTQLQIEISA-N 0 2 322.302 1.914 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)c3nnc[nH]3)C(C)(C)[C@H]21 ZINC001087308556 736033204 /nfs/dbraw/zinc/03/32/04/736033204.db2.gz SEXYOOMHPMNSMM-WOPDTQHZSA-N 0 2 323.828 1.776 20 30 DDEDLN CN(CCNc1ccc(C#N)cn1)C(=O)C(F)C(F)(F)F ZINC001102003467 742210919 /nfs/dbraw/zinc/21/09/19/742210919.db2.gz ZIDTXTUELMDINW-SNVBAGLBSA-N 0 2 304.247 1.724 20 30 DDEDLN CN(CCNc1ccc(C#N)cn1)C(=O)[C@@H](F)C(F)(F)F ZINC001102003467 742210922 /nfs/dbraw/zinc/21/09/22/742210922.db2.gz ZIDTXTUELMDINW-SNVBAGLBSA-N 0 2 304.247 1.724 20 30 DDEDLN COC(=O)c1cccc2c(NS(=O)(=O)CC#N)ccnc12 ZINC001192943044 745929447 /nfs/dbraw/zinc/92/94/47/745929447.db2.gz HQXHWIVDHYDHGI-UHFFFAOYSA-N 0 2 305.315 1.287 20 30 DDEDLN CC#CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994267503 746554411 /nfs/dbraw/zinc/55/44/11/746554411.db2.gz KFCDGSDODPKLAO-ZBFHGGJFSA-N 0 2 314.433 1.754 20 30 DDEDLN CC(=O)N[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001008732365 752893703 /nfs/dbraw/zinc/89/37/03/752893703.db2.gz NDKXOIACJSRNMJ-FSDSQADBSA-N 0 2 324.196 1.412 20 30 DDEDLN CC(=O)N[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001008732365 752893711 /nfs/dbraw/zinc/89/37/11/752893711.db2.gz NDKXOIACJSRNMJ-FSDSQADBSA-N 0 2 324.196 1.412 20 30 DDEDLN C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H](OC)C1 ZINC001081855250 756518455 /nfs/dbraw/zinc/51/84/55/756518455.db2.gz YGOUPJZSSGPHSO-HZPDHXFCSA-N 0 2 314.389 1.568 20 30 DDEDLN C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109824608 764094959 /nfs/dbraw/zinc/09/49/59/764094959.db2.gz FNLXWGYFRDKJDA-UKMLZYKCSA-N 0 2 300.406 1.333 20 30 DDEDLN CCOC(=O)[C@H](C#N)Nc1c(Br)cncc1C#N ZINC001170370356 766269743 /nfs/dbraw/zinc/26/97/43/766269743.db2.gz WYCFRJSQUSUCBB-VIFPVBQESA-N 0 2 309.123 1.005 20 30 DDEDLN Cc1nsc(NCCNC(=O)C(F)C(F)(F)F)c1C#N ZINC001094183125 775547122 /nfs/dbraw/zinc/54/71/22/775547122.db2.gz ZOIJRAOLLKNYQD-ZETCQYMHSA-N 0 2 310.276 1.752 20 30 DDEDLN Cc1nsc(NCCNC(=O)[C@H](F)C(F)(F)F)c1C#N ZINC001094183125 775547131 /nfs/dbraw/zinc/54/71/31/775547131.db2.gz ZOIJRAOLLKNYQD-ZETCQYMHSA-N 0 2 310.276 1.752 20 30 DDEDLN CN1C(=O)COc2cc(NC3=C(C#N)C(=O)CS3)cnc21 ZINC001174837675 777596858 /nfs/dbraw/zinc/59/68/58/777596858.db2.gz LIDLICZXGUSUGW-UHFFFAOYSA-N 0 2 302.315 1.819 20 30 DDEDLN CC[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001103340469 778800834 /nfs/dbraw/zinc/80/08/34/778800834.db2.gz DIBRBLCYTIPGPO-ONGXEEELSA-N 0 2 318.274 1.582 20 30 DDEDLN CC[C@@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001103340469 778800838 /nfs/dbraw/zinc/80/08/38/778800838.db2.gz DIBRBLCYTIPGPO-ONGXEEELSA-N 0 2 318.274 1.582 20 30 DDEDLN CC#CCCCC(=O)NC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001299182334 844292471 /nfs/dbraw/zinc/29/24/71/844292471.db2.gz MMLZEYPCUUWLRD-LLVKDONJSA-N 0 2 322.302 1.845 20 30 DDEDLN CC#CCCCC(=O)NC1(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001299182334 844292478 /nfs/dbraw/zinc/29/24/78/844292478.db2.gz MMLZEYPCUUWLRD-LLVKDONJSA-N 0 2 322.302 1.845 20 30 DDEDLN C=CCCCC(=O)N1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001299364484 852534839 /nfs/dbraw/zinc/53/48/39/852534839.db2.gz GIKKTZLWVSFIBH-LLVKDONJSA-N 0 2 310.291 1.912 20 30 DDEDLN C=CCCCC(=O)N1CC(N(C)C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001299364484 852534842 /nfs/dbraw/zinc/53/48/42/852534842.db2.gz GIKKTZLWVSFIBH-LLVKDONJSA-N 0 2 310.291 1.912 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc(OCCO)cc1 ZINC001412672615 854919067 /nfs/dbraw/zinc/91/90/67/854919067.db2.gz GHBIUGUTPWUAFS-UHFFFAOYSA-N 0 2 313.313 1.591 20 30 DDEDLN C=CCCC[C@@H](C)NC(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001137810390 859980806 /nfs/dbraw/zinc/98/08/06/859980806.db2.gz LDOSDOKQFAXGSG-LLVKDONJSA-N 0 2 316.361 1.741 20 30 DDEDLN COC(=O)c1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cn1C ZINC001139368197 860372700 /nfs/dbraw/zinc/37/27/00/860372700.db2.gz BFPCICSIWDSDOW-ZDUSSCGKSA-N 0 2 306.387 1.586 20 30 DDEDLN CCc1nc(C#N)c(NCCNC(=O)C(F)(F)F)nc1Cl ZINC001164237983 869045058 /nfs/dbraw/zinc/04/50/58/869045058.db2.gz LJHIRMPYCRKGMD-UHFFFAOYSA-N 0 2 321.690 1.654 20 30 DDEDLN CCN(C(=O)C#CC(C)C)[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001340105303 870895117 /nfs/dbraw/zinc/89/51/17/870895117.db2.gz DREDESNCEDHXBR-PWSUYJOCSA-N 0 2 324.318 1.899 20 30 DDEDLN CCN(C(=O)C#CC(C)C)[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001340105303 870895127 /nfs/dbraw/zinc/89/51/27/870895127.db2.gz DREDESNCEDHXBR-PWSUYJOCSA-N 0 2 324.318 1.899 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC(F)CC1 ZINC001340592711 871217610 /nfs/dbraw/zinc/21/76/10/871217610.db2.gz BGFTVUNBMINWPG-UHFFFAOYSA-N 0 2 311.752 1.841 20 30 DDEDLN COC(=O)c1ccc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)o1 ZINC001342578316 872274894 /nfs/dbraw/zinc/27/48/94/872274894.db2.gz BXPVLRWBLYPLQF-SECBINFHSA-N 0 2 313.269 1.422 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cccc([S@](C)=O)c1 ZINC001361938563 882675739 /nfs/dbraw/zinc/67/57/39/882675739.db2.gz AHGJQJOFQPLZKR-QFIPXVFZSA-N 0 2 315.354 1.957 20 30 DDEDLN C#C[C@H](Oc1[nH]c(=O)nnc1Br)c1ccncc1 ZINC001227066288 882807807 /nfs/dbraw/zinc/80/78/07/882807807.db2.gz HGOSAZRLJVSSME-QMMMGPOBSA-N 0 2 307.107 1.488 20 30 DDEDLN N#Cc1cc(F)ccc1NS(=O)(=O)c1ccc(N)c(N)c1 ZINC001210555111 875434263 /nfs/dbraw/zinc/43/42/63/875434263.db2.gz RCSKNHJBLKIQRK-UHFFFAOYSA-N 0 2 306.322 1.663 20 30 DDEDLN CC#Cc1cncc(NS(=O)(=O)c2cc(N)ccc2OC)c1 ZINC001211058923 875643696 /nfs/dbraw/zinc/64/36/96/875643696.db2.gz PMRWKETUVRDXMZ-UHFFFAOYSA-N 0 2 317.370 1.845 20 30 DDEDLN C=CCn1nnnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC001354295101 877863698 /nfs/dbraw/zinc/86/36/98/877863698.db2.gz XKGYSWZCQPSPME-UHFFFAOYSA-N 0 2 303.351 1.206 20 30 DDEDLN Cn1c(=O)[nH]c(Nc2ccc(OCC(F)F)cc2)c(C#N)c1=O ZINC001413874929 879722254 /nfs/dbraw/zinc/72/22/54/879722254.db2.gz AIGZIWHHRXNMSB-UHFFFAOYSA-N 0 2 322.271 1.333 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001383884346 886688851 /nfs/dbraw/zinc/68/88/51/886688851.db2.gz GYJXXLYJAGKBGQ-BDAKNGLRSA-N 0 2 323.290 1.449 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1(CCNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001383884346 886688860 /nfs/dbraw/zinc/68/88/60/886688860.db2.gz GYJXXLYJAGKBGQ-BDAKNGLRSA-N 0 2 323.290 1.449 20 30 DDEDLN C[C@@H](NC(=O)C(F)C(F)(F)F)c1nc(C(F)(F)F)n[nH]1 ZINC001363644240 886866060 /nfs/dbraw/zinc/86/60/60/886866060.db2.gz BVXLTEJAMKNKQC-PWNYCUMCSA-N 0 2 308.157 1.901 20 30 DDEDLN CCOC(=O)C1(C#N)CC[NH+](Cc2ccc(C#N)cc2[O-])CC1 ZINC001233387471 886968726 /nfs/dbraw/zinc/96/87/26/886968726.db2.gz KPYKUCDEWMSEGU-UHFFFAOYSA-N 0 2 313.357 1.933 20 30 DDEDLN CC[N@@H+]1CCO[C@@H]2CN(Cc3ccc(C#N)cc3O)C[C@@H]2C1 ZINC001233385309 886969449 /nfs/dbraw/zinc/96/94/49/886969449.db2.gz CPTRKKCHGLMGDF-DOTOQJQBSA-N 0 2 301.390 1.416 20 30 DDEDLN CC[N@H+]1CCO[C@@H]2CN(Cc3ccc(C#N)cc3O)C[C@@H]2C1 ZINC001233385309 886969457 /nfs/dbraw/zinc/96/94/57/886969457.db2.gz CPTRKKCHGLMGDF-DOTOQJQBSA-N 0 2 301.390 1.416 20 30 DDEDLN Cn1c(=O)[nH]c(NCC[C@@H]2C[C@H]2Cc2ccccc2)c(C#N)c1=O ZINC001364257148 888235061 /nfs/dbraw/zinc/23/50/61/888235061.db2.gz OLLIZIZECBKPMA-ZIAGYGMSSA-N 0 2 324.384 1.626 20 30 DDEDLN Cc1nnc2ccc(NS(=O)(=O)c3ccccc3C#N)cn12 ZINC001258214467 898111696 /nfs/dbraw/zinc/11/16/96/898111696.db2.gz HHUUKFXLPMGOBC-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)CCC1=O ZINC001258914479 898355739 /nfs/dbraw/zinc/35/57/39/898355739.db2.gz KKEIGBLOBWXJSK-QMMMGPOBSA-N 0 2 316.741 1.582 20 30 DDEDLN C[C@H](O)c1ccnc(NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259119332 898478662 /nfs/dbraw/zinc/47/86/62/898478662.db2.gz UZPLDEZDIIJQCL-JTQLQIEISA-N 0 2 303.343 1.807 20 30 DDEDLN C#Cc1ccc(NS(=O)(=O)c2cccc3nsnc32)cn1 ZINC001260383744 899130808 /nfs/dbraw/zinc/13/08/08/899130808.db2.gz JWWVECRFGLYHFT-UHFFFAOYSA-N 0 2 316.367 1.868 20 30 DDEDLN CC(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C#N)n2)c1 ZINC001260803420 899271090 /nfs/dbraw/zinc/27/10/90/899271090.db2.gz HSCBKTKFDYVWFV-UHFFFAOYSA-N 0 2 316.342 1.712 20 30 DDEDLN O=C(C#CC1CC1)NC[C@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001285856809 911315913 /nfs/dbraw/zinc/31/59/13/911315913.db2.gz RZKQAKBKTPMBTQ-MWLCHTKSSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(C#CC1CC1)NC[C@H]1CCN1C(=O)[C@@H](F)C(F)(F)F ZINC001285856809 911315934 /nfs/dbraw/zinc/31/59/34/911315934.db2.gz RZKQAKBKTPMBTQ-MWLCHTKSSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(NCc1n[nH]c(=O)[nH]1)C1CCN(CC(F)(F)F)CC1 ZINC000329275393 539302527 /nfs/dbraw/zinc/30/25/27/539302527.db2.gz JWBXSYLYRKKBKG-UHFFFAOYSA-N 0 2 307.276 1.241 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000006316169 352117125 /nfs/dbraw/zinc/11/71/25/352117125.db2.gz MTICTUGHMFBMGI-UHFFFAOYSA-N 0 2 319.298 1.973 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC(=O)NC(C)(C)C)cc1C#N ZINC000027608104 352220578 /nfs/dbraw/zinc/22/05/78/352220578.db2.gz OKFVVMXTMQZMTL-UHFFFAOYSA-N 0 2 322.390 1.025 20 30 DDEDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000110094315 353959137 /nfs/dbraw/zinc/95/91/37/353959137.db2.gz JXHJYRMOGZRPQT-UHFFFAOYSA-N 0 2 319.342 1.782 20 30 DDEDLN N#C[C@H]1CSCCN1C(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000597480407 357191695 /nfs/dbraw/zinc/19/16/95/357191695.db2.gz YOGCVTBGRZFPQR-NSHDSACASA-N 0 2 316.342 1.111 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)cc1C#N ZINC000598232287 357502353 /nfs/dbraw/zinc/50/23/53/357502353.db2.gz OZGDMIINIXZKND-MEBBXXQBSA-N 0 2 319.386 1.489 20 30 DDEDLN Cn1nncc1S(=O)(=O)Nc1cccc(OCCCC#N)c1 ZINC000600647340 358274211 /nfs/dbraw/zinc/27/42/11/358274211.db2.gz SNMXEWXPHDMUBC-UHFFFAOYSA-N 0 2 321.362 1.298 20 30 DDEDLN COC(C)(C)c1nc(=NC(=O)Cc2ccc(C#N)cc2)s[nH]1 ZINC000601794864 358697283 /nfs/dbraw/zinc/69/72/83/358697283.db2.gz HYOHFYVOTLXBFW-UHFFFAOYSA-N 0 2 316.386 1.894 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(CCC#N)n1 ZINC000608926669 360252623 /nfs/dbraw/zinc/25/26/23/360252623.db2.gz HXCCVMFRSWQMKX-UHFFFAOYSA-N 0 2 315.358 1.778 20 30 DDEDLN Cc1cc([C@@H](C#N)C(=O)c2cc(OC(F)F)n(C)n2)nc(C)n1 ZINC000343932089 223328795 /nfs/dbraw/zinc/32/87/95/223328795.db2.gz VCGLYOZOKAAELR-SECBINFHSA-N 0 2 321.287 1.918 20 30 DDEDLN Cn1cc(S(=O)(=O)NC(=O)C=Cc2ccc(F)cc2)cn1 ZINC000048646558 407103755 /nfs/dbraw/zinc/10/37/55/407103755.db2.gz ORYZLLGSKGKCFH-QPJJXVBHSA-N 0 2 309.322 1.918 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000184518171 408632419 /nfs/dbraw/zinc/63/24/19/408632419.db2.gz OQMJIMVSHIBTKC-ZETCQYMHSA-N 0 2 304.397 1.450 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCOCC2(C)C)cc1C#N ZINC000408142496 164240867 /nfs/dbraw/zinc/24/08/67/164240867.db2.gz XGEWYOCSTCRBIW-UHFFFAOYSA-N 0 2 307.375 1.632 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)c(Cl)c1 ZINC000342464173 409651060 /nfs/dbraw/zinc/65/10/60/409651060.db2.gz HYFUVNMSERKUMV-UHFFFAOYSA-N 0 2 323.761 2.416 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2CCO)cc1C#N ZINC000355055442 410272555 /nfs/dbraw/zinc/27/25/55/410272555.db2.gz KYFSZQPMRMEYRK-LLVKDONJSA-N 0 2 321.402 1.758 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](CO)CC2CCC2)cc1C#N ZINC000359337496 410608338 /nfs/dbraw/zinc/60/83/38/410608338.db2.gz YFSWMEUGZWFYRG-NSHDSACASA-N 0 2 321.402 1.662 20 30 DDEDLN CCN(C[C@@H](C)C#N)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000353839365 411134444 /nfs/dbraw/zinc/13/44/44/411134444.db2.gz GLZGRHUZNGUJIY-QMMMGPOBSA-N 0 2 315.333 1.366 20 30 DDEDLN Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)nn1CCC#N ZINC000436977915 420389895 /nfs/dbraw/zinc/38/98/95/420389895.db2.gz GUGQMWANRTWQOK-UHFFFAOYSA-N 0 2 315.289 1.971 20 30 DDEDLN C[C@H](NS(=O)(=O)NCC(F)(F)F)c1ccc(C#N)cc1 ZINC000442913263 420727073 /nfs/dbraw/zinc/72/70/73/420727073.db2.gz HDKKBRQMWHQDLX-QMMMGPOBSA-N 0 2 307.297 1.606 20 30 DDEDLN CC(C)N(CCC#N)C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000522960900 421228581 /nfs/dbraw/zinc/22/85/81/421228581.db2.gz DMUHUYRBDWSTJE-UHFFFAOYSA-N 0 2 301.306 1.200 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000566120358 421602788 /nfs/dbraw/zinc/60/27/88/421602788.db2.gz OHOBJQMYECTGIG-CABZTGNLSA-N 0 2 319.386 1.702 20 30 DDEDLN CN(C)c1cccc(S(=O)(=O)Nc2ncc(C#N)s2)c1 ZINC000617230576 422521220 /nfs/dbraw/zinc/52/12/20/422521220.db2.gz MGOAZFDMBYEZLR-UHFFFAOYSA-N 0 2 308.388 1.882 20 30 DDEDLN CCn1nc(C)c(S(=O)(=O)Nc2ncc(C#N)s2)c1C ZINC000610725213 422472584 /nfs/dbraw/zinc/47/25/84/422472584.db2.gz NMGIWUKCCXRWIF-UHFFFAOYSA-N 0 2 311.392 1.649 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2cncc(Cl)c2)s1 ZINC000611101960 422473694 /nfs/dbraw/zinc/47/36/94/422473694.db2.gz WIRYDUUXZJRPDQ-UHFFFAOYSA-N 0 2 300.752 1.864 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc(Br)c[nH]2)[nH]c1C#N ZINC000026270387 263249614 /nfs/dbraw/zinc/24/96/14/263249614.db2.gz SFINHEUZFXJQGV-UHFFFAOYSA-N 0 2 305.095 1.496 20 30 DDEDLN CCc1cc(NS(=O)(=O)c2cncc(C#N)c2)nc(C)n1 ZINC000357387459 266438991 /nfs/dbraw/zinc/43/89/91/266438991.db2.gz KXJRUJKRCXDYFU-UHFFFAOYSA-N 0 2 303.347 1.415 20 30 DDEDLN Cc1c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cnn1CCC(C)C ZINC000123378257 281170247 /nfs/dbraw/zinc/17/02/47/281170247.db2.gz XXRXVHGGVISZRO-UHFFFAOYSA-N 0 2 311.349 1.956 20 30 DDEDLN NC(=O)CO[N-]C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000089462169 295048350 /nfs/dbraw/zinc/04/83/50/295048350.db2.gz UNCGGLWRGAYXST-CYBMUJFWSA-N 0 2 309.341 1.554 20 30 DDEDLN NC(=O)CO[N-]C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000089462169 295048351 /nfs/dbraw/zinc/04/83/51/295048351.db2.gz UNCGGLWRGAYXST-CYBMUJFWSA-N 0 2 309.341 1.554 20 30 DDEDLN COC(=O)Nc1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000491031959 534196213 /nfs/dbraw/zinc/19/62/13/534196213.db2.gz IOURMQHTKUCCIB-UHFFFAOYSA-N 0 2 310.273 1.584 20 30 DDEDLN C=CCSCCNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000348884486 527001375 /nfs/dbraw/zinc/00/13/75/527001375.db2.gz XZDQPZLUELCTAS-UHFFFAOYSA-N 0 2 305.359 1.679 20 30 DDEDLN C=CCn1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1cnccn1 ZINC000340856360 527344461 /nfs/dbraw/zinc/34/44/61/527344461.db2.gz PUWOFTKGPHCUTG-UHFFFAOYSA-N 0 2 316.350 1.037 20 30 DDEDLN CCOC(=O)N1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1 ZINC000495342485 529009296 /nfs/dbraw/zinc/00/92/96/529009296.db2.gz MQXNJBXHIGWEQM-LWHXSLQUSA-N 0 2 307.306 1.950 20 30 DDEDLN CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000737078435 599781684 /nfs/dbraw/zinc/78/16/84/599781684.db2.gz LXGHSTURAOOTRU-IUODEOHRSA-N 0 2 303.362 1.410 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000825341977 604619463 /nfs/dbraw/zinc/61/94/63/604619463.db2.gz ADABIEOATLNLHN-HUBLWGQQSA-N 0 2 303.362 1.976 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000825341977 604619466 /nfs/dbraw/zinc/61/94/66/604619466.db2.gz ADABIEOATLNLHN-HUBLWGQQSA-N 0 2 303.362 1.976 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCOCc1ccccc1 ZINC000122603061 696723556 /nfs/dbraw/zinc/72/35/56/696723556.db2.gz XHUBYXADTDYNOT-AWEZNQCLSA-N 0 2 311.341 1.919 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCOCc1ccccc1 ZINC000122603313 696723579 /nfs/dbraw/zinc/72/35/79/696723579.db2.gz XHUBYXADTDYNOT-CQSZACIVSA-N 0 2 311.341 1.919 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2cccc3nonc32)cc1 ZINC000000151700 696005166 /nfs/dbraw/zinc/00/51/66/696005166.db2.gz RHJZMFMJVKRZQT-UHFFFAOYSA-N 0 2 300.299 1.895 20 30 DDEDLN CCn1c(=O)c2ccc(C(=O)N(C)CC#N)cc2[nH]c1=S ZINC000748526253 700123642 /nfs/dbraw/zinc/12/36/42/700123642.db2.gz IBFOALLZMRBMNH-UHFFFAOYSA-N 0 2 302.359 1.301 20 30 DDEDLN C#CCSCCNC(=O)C1=NN(c2ccccc2)CC1=O ZINC000174313364 697387528 /nfs/dbraw/zinc/38/75/28/697387528.db2.gz AFEBWLGHSYLKSJ-UHFFFAOYSA-N 0 2 301.371 1.674 20 30 DDEDLN CC(N=Nc1nccn(C)c1=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000749620997 700174141 /nfs/dbraw/zinc/17/41/41/700174141.db2.gz CUCYQMMTPMCHCB-UHFFFAOYSA-N 0 2 303.278 1.230 20 30 DDEDLN Cc1nnc([S-])n(N=Cc2cc(-n3cc[nH+]c3)cs2)c1=O ZINC000783800199 698882174 /nfs/dbraw/zinc/88/21/74/698882174.db2.gz PYQIAMYTIBKFQK-UHFFFAOYSA-N 0 2 318.387 1.365 20 30 DDEDLN CC(=O)Nc1ccc(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000770731089 701292570 /nfs/dbraw/zinc/29/25/70/701292570.db2.gz WLHPCPBAGYRAGB-CQSZACIVSA-N 0 2 324.340 1.513 20 30 DDEDLN COCCCNC(=O)C(C#N)=C([O-])c1cn2cc(C)ccc2[nH+]1 ZINC000860462640 705195979 /nfs/dbraw/zinc/19/59/79/705195979.db2.gz XJEJPRIYEBQPRI-GFCCVEGCSA-N 0 2 314.345 1.118 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2ccc(CCC#N)cc2)n(C)n1 ZINC000886394064 708752596 /nfs/dbraw/zinc/75/25/96/708752596.db2.gz OLLCKAYHRLIJTE-UHFFFAOYSA-N 0 2 304.375 1.986 20 30 DDEDLN CSCc1nnc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)[nH]1 ZINC000895813967 711614156 /nfs/dbraw/zinc/61/41/56/711614156.db2.gz OBPZWRRINYWFDD-LLVKDONJSA-N 0 2 309.439 1.856 20 30 DDEDLN N#C[C@@H](C(=O)Cn1cc(Br)cn1)c1ccccn1 ZINC000916881333 713472363 /nfs/dbraw/zinc/47/23/63/713472363.db2.gz OGYVMNRJDIYVLV-SNVBAGLBSA-N 0 2 305.135 1.917 20 30 DDEDLN C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC000969981840 720584426 /nfs/dbraw/zinc/58/44/26/720584426.db2.gz QHGUFRVJNRPZMS-KGLIPLIRSA-N 0 2 302.422 1.458 20 30 DDEDLN CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC001024618006 735985449 /nfs/dbraw/zinc/98/54/49/735985449.db2.gz OTYKHSVHRFEBNX-DLBZAZTESA-N 0 2 321.465 1.090 20 30 DDEDLN N#Cc1ccc(NC2(CNC(=O)C(F)C(F)(F)F)CC2)cn1 ZINC001110375780 744344165 /nfs/dbraw/zinc/34/41/65/744344165.db2.gz UOOFLJAKMPUUQT-SNVBAGLBSA-N 0 2 316.258 1.914 20 30 DDEDLN N#Cc1ccc(NC2(CNC(=O)[C@@H](F)C(F)(F)F)CC2)cn1 ZINC001110375780 744344167 /nfs/dbraw/zinc/34/41/67/744344167.db2.gz UOOFLJAKMPUUQT-SNVBAGLBSA-N 0 2 316.258 1.914 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1csc2ccccc21 ZINC001186523530 744408883 /nfs/dbraw/zinc/40/88/83/744408883.db2.gz IRYQJKXSAPRPTL-SNVBAGLBSA-N 0 2 324.383 1.635 20 30 DDEDLN C=CC[C@@H](NS(=O)(=O)C(Cl)(Cl)Cl)C(=O)OC ZINC001192049446 745671816 /nfs/dbraw/zinc/67/18/16/745671816.db2.gz HIRJNDLNMRJNRI-RXMQYKEDSA-N 0 2 310.586 1.351 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)C(Cl)(Cl)Cl)CCC1=O ZINC001192019477 745675653 /nfs/dbraw/zinc/67/56/53/745675653.db2.gz GSHSCTIOURSDHJ-RXMQYKEDSA-N 0 2 305.570 1.058 20 30 DDEDLN COC(=O)c1cc(NS(=O)(=O)[C@@H](C)C#N)cnc1Cl ZINC001193110644 745981522 /nfs/dbraw/zinc/98/15/22/745981522.db2.gz AFKQULXVZMNHQC-LURJTMIESA-N 0 2 303.727 1.175 20 30 DDEDLN CCOc1cc(NS(=O)(=O)[C@@H](C)C#N)cc(C(=O)OC)c1 ZINC001193149946 745997994 /nfs/dbraw/zinc/99/79/94/745997994.db2.gz UCKCBWVPIMTPJF-VIFPVBQESA-N 0 2 312.347 1.526 20 30 DDEDLN COc1ncccc1S(=O)(=O)Nc1ccccc1CC#N ZINC001194719387 746449103 /nfs/dbraw/zinc/44/91/03/746449103.db2.gz VPNHTTLOSCMWDL-UHFFFAOYSA-N 0 2 303.343 1.957 20 30 DDEDLN COc1cc(S(=O)(=O)Nc2cccc(C#N)n2)ccc1F ZINC001200374968 748227455 /nfs/dbraw/zinc/22/74/55/748227455.db2.gz FZENOABBRSVXBR-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCn1cc[nH+]c1)C2 ZINC001110877512 749800778 /nfs/dbraw/zinc/80/07/78/749800778.db2.gz VIHAHUROZKYWRO-OAGGEKHMSA-N 0 2 318.421 1.197 20 30 DDEDLN CCOC(=O)c1cnc(Nc2c(C#N)cnn2C(=O)OC)nc1 ZINC001169962031 762777245 /nfs/dbraw/zinc/77/72/45/762777245.db2.gz HWAQAKRGNSOEEE-UHFFFAOYSA-N 0 2 316.277 1.080 20 30 DDEDLN C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001109276133 763538520 /nfs/dbraw/zinc/53/85/20/763538520.db2.gz ZAOJKLLGQLFWMZ-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@H](F)C(F)(F)F ZINC001109276133 763538526 /nfs/dbraw/zinc/53/85/26/763538526.db2.gz ZAOJKLLGQLFWMZ-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1 ZINC001109632940 763896684 /nfs/dbraw/zinc/89/66/84/763896684.db2.gz IXDSEUSOEQECLR-RNJOBUHISA-N 0 2 319.409 1.334 20 30 DDEDLN CC(=O)c1cc(C(=O)N=C(NC#N)c2ccncc2)ccc1O ZINC001148668754 773572352 /nfs/dbraw/zinc/57/23/52/773572352.db2.gz JHFUVLCJALNPBE-UHFFFAOYSA-N 0 2 308.297 1.647 20 30 DDEDLN CN=c1c(N)cc(Cl)nn1C(=O)[C@@H](C#N)Cc1cccs1 ZINC001177907418 778779805 /nfs/dbraw/zinc/77/98/05/778779805.db2.gz AMGGXBNIXGKOCW-MRVPVSSYSA-N 0 2 321.793 1.733 20 30 DDEDLN C=CCCO[C@H](C)C(=O)N(C)CCC1=NC(=O)C(C)C(=O)N1 ZINC001178885754 779211467 /nfs/dbraw/zinc/21/14/67/779211467.db2.gz SBLXDGNSMRPZMF-LLVKDONJSA-N 0 2 309.366 1.178 20 30 DDEDLN COc1cc(C#N)ccc1C(=O)N[C@H](C)c1nn(C)cc1O ZINC001413752398 858480804 /nfs/dbraw/zinc/48/08/04/858480804.db2.gz AEYJSOANGXLFEY-SECBINFHSA-N 0 2 300.318 1.497 20 30 DDEDLN C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)c1[nH]nc(C)c1[O-] ZINC001157806883 864157718 /nfs/dbraw/zinc/15/77/18/864157718.db2.gz IOIWUUOHRZBOAU-CYBMUJFWSA-N 0 2 306.410 1.926 20 30 DDEDLN C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1[nH]nc(C)c1[O-] ZINC001157806883 864157725 /nfs/dbraw/zinc/15/77/25/864157725.db2.gz IOIWUUOHRZBOAU-CYBMUJFWSA-N 0 2 306.410 1.926 20 30 DDEDLN N#Cc1c2ccccc2[nH]c1C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC001160879029 866165515 /nfs/dbraw/zinc/16/55/15/866165515.db2.gz KHOQGPBBTNECHD-UHFFFAOYSA-N 0 2 310.317 1.226 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)NCC1=CC[N@H+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001333399998 866709637 /nfs/dbraw/zinc/70/96/37/866709637.db2.gz JRNQOSVSAWEDNM-INIZCTEOSA-N 0 2 319.409 1.361 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)NCC1=CC[N@@H+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001333399998 866709646 /nfs/dbraw/zinc/70/96/46/866709646.db2.gz JRNQOSVSAWEDNM-INIZCTEOSA-N 0 2 319.409 1.361 20 30 DDEDLN N#C[C@H](C(=O)C=Cc1ccncn1)c1nc(N)c2ccccc2n1 ZINC001341803980 871835418 /nfs/dbraw/zinc/83/54/18/871835418.db2.gz HIMDEYKRQXQXDF-CFHLNLSMSA-N 0 2 316.324 1.892 20 30 DDEDLN N#CC(C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)c1ccncn1 ZINC001342582265 872274694 /nfs/dbraw/zinc/27/46/94/872274694.db2.gz WBQZRCDFJGELDT-OYNCUSHFSA-N 0 2 312.251 1.110 20 30 DDEDLN C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001350583008 875769555 /nfs/dbraw/zinc/76/95/55/875769555.db2.gz HKRLCGFWWQQYTQ-RKDXNWHRSA-N 0 2 310.291 1.816 20 30 DDEDLN C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001350583008 875769562 /nfs/dbraw/zinc/76/95/62/875769562.db2.gz HKRLCGFWWQQYTQ-RKDXNWHRSA-N 0 2 310.291 1.816 20 30 DDEDLN CC(C)(C)C#CC(=O)NC/C=C/CNC(=O)C(F)C(F)(F)F ZINC001357807030 880208755 /nfs/dbraw/zinc/20/87/55/880208755.db2.gz AMUNUNWRPCFJMO-ZWNMCFTASA-N 0 2 322.302 1.725 20 30 DDEDLN CC(C)(C)C#CC(=O)NC/C=C/CNC(=O)[C@H](F)C(F)(F)F ZINC001357807030 880208770 /nfs/dbraw/zinc/20/87/70/880208770.db2.gz AMUNUNWRPCFJMO-ZWNMCFTASA-N 0 2 322.302 1.725 20 30 DDEDLN C#CC[C@@H](C)Oc1nc(I)cc(=O)[nH]1 ZINC001228946333 883741765 /nfs/dbraw/zinc/74/17/65/883741765.db2.gz IMWYSVMDBLSNTN-ZCFIWIBFSA-N 0 2 304.087 1.577 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2n[nH]cc2C#N)cc1C#N ZINC001363106972 885481041 /nfs/dbraw/zinc/48/10/41/885481041.db2.gz FBBFRSQTTMEEMR-UHFFFAOYSA-N 0 2 300.303 1.228 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)N1c2ccccc2C[C@H]1CO ZINC001363235695 885788061 /nfs/dbraw/zinc/78/80/61/885788061.db2.gz CBRGZJKYQAEGOV-ZDUSSCGKSA-N 0 2 309.325 1.531 20 30 DDEDLN C[C@H](NC(=O)C(F)C(F)(F)F)c1nc(C(F)(F)F)n[nH]1 ZINC001363644239 886865484 /nfs/dbraw/zinc/86/54/84/886865484.db2.gz BVXLTEJAMKNKQC-HRFVKAFMSA-N 0 2 308.157 1.901 20 30 DDEDLN Cn1c(=O)[nH]c(NC[C@H]2[C@H](c3ccccc3)C2(C)C)c(C#N)c1=O ZINC001364197172 888128573 /nfs/dbraw/zinc/12/85/73/888128573.db2.gz DCRABNLFSZWPHN-KBPBESRZSA-N 0 2 324.384 1.797 20 30 DDEDLN COC(=O)C1(C#N)CC[NH+](Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC001238245697 890149450 /nfs/dbraw/zinc/14/94/50/890149450.db2.gz ZVRRWYYVNNVWOF-UHFFFAOYSA-N 0 2 320.320 1.803 20 30 DDEDLN Cn1c(=O)[nH]c(NCc2c(F)cccc2Cl)c(C#N)c1=O ZINC001365215313 890369891 /nfs/dbraw/zinc/36/98/91/890369891.db2.gz PFAXDQHFRSKICU-UHFFFAOYSA-N 0 2 308.700 1.350 20 30 DDEDLN CC(C)(CC#N)CNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001365643518 891239479 /nfs/dbraw/zinc/23/94/79/891239479.db2.gz KPVHMELKJIVBDE-SNVBAGLBSA-N 0 2 306.370 1.339 20 30 DDEDLN Cn1ncc2cc(S(=O)(=O)Nc3cc(C#N)ccn3)cnc21 ZINC001255640481 897066641 /nfs/dbraw/zinc/06/66/41/897066641.db2.gz FWMCOXGCIGPTNA-UHFFFAOYSA-N 0 2 314.330 1.036 20 30 DDEDLN C=C(Cl)C[NH2+]CC1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001393909015 908208868 /nfs/dbraw/zinc/20/88/68/908208868.db2.gz UDALMNKWWLVQBE-UHFFFAOYSA-N 0 2 310.829 1.900 20 30 DDEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)NCc1cccc(C#N)c1 ZINC000277325982 213446737 /nfs/dbraw/zinc/44/67/37/213446737.db2.gz XWEZNPXWUINWJJ-UHFFFAOYSA-N 0 2 313.279 1.632 20 30 DDEDLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)[C@H]1COCCO1 ZINC000081731416 353689246 /nfs/dbraw/zinc/68/92/46/353689246.db2.gz WFLFTJKYICHFKH-SECBINFHSA-N 0 2 310.260 1.753 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2ncn(C(C)C)n2)ccc1C#N ZINC000593285269 355845280 /nfs/dbraw/zinc/84/52/80/355845280.db2.gz PVGUGYQPAJWZDD-UHFFFAOYSA-N 0 2 305.363 1.840 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000596019651 356747872 /nfs/dbraw/zinc/74/78/72/356747872.db2.gz AKKJJHDGCVVZAS-ZETCQYMHSA-N 0 2 318.742 1.874 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N2CCC[C@H](CC#N)C2)c1 ZINC000597900857 357377595 /nfs/dbraw/zinc/37/75/95/357377595.db2.gz FIEISKGLVBVHGL-DMZKTXOQSA-N 0 2 320.414 1.955 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC2CCC(CO)CC2)cc1C#N ZINC000611989964 360883445 /nfs/dbraw/zinc/88/34/45/360883445.db2.gz LERNMOTXEIIIMT-UHFFFAOYSA-N 0 2 321.402 1.662 20 30 DDEDLN CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000613019250 361243430 /nfs/dbraw/zinc/24/34/30/361243430.db2.gz XPHUQFYCLIBFTA-CQSZACIVSA-N 0 2 323.343 1.976 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cn4c(n3)COCC4)nc21 ZINC000626349504 367497120 /nfs/dbraw/zinc/49/71/20/367497120.db2.gz CKWZPRSTKLRDKB-JTQLQIEISA-N 0 2 322.328 1.483 20 30 DDEDLN Cc1ccnc2[nH]c(C(C#N)=C([O-])c3cn4c([nH+]3)COCC4)nc21 ZINC000626349504 367497122 /nfs/dbraw/zinc/49/71/22/367497122.db2.gz CKWZPRSTKLRDKB-JTQLQIEISA-N 0 2 322.328 1.483 20 30 DDEDLN Cc1cc(NS(=O)(=O)[C@H](C)C#N)ncc1Br ZINC000094063737 193342228 /nfs/dbraw/zinc/34/22/28/193342228.db2.gz ZTZBXXWAUIXGCG-SSDOTTSWSA-N 0 2 304.169 1.806 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCOC[C@@H]2C)cc1C#N ZINC000432555606 533078896 /nfs/dbraw/zinc/07/88/96/533078896.db2.gz HSROHWZZQMRFMJ-GZMMTYOYSA-N 0 2 307.375 1.536 20 30 DDEDLN N#Cc1nc(NC(=O)c2c[nH]c(=O)c3ccccc23)[nH]c1C#N ZINC000569360407 304350898 /nfs/dbraw/zinc/35/08/98/304350898.db2.gz SCLZFKGWBNDXNG-UHFFFAOYSA-N 0 2 304.269 1.659 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCc2cccnc2)cc1C#N ZINC000031913393 406943524 /nfs/dbraw/zinc/94/35/24/406943524.db2.gz OFLIMNRKCHAZCF-UHFFFAOYSA-N 0 2 314.370 1.748 20 30 DDEDLN COc1ccc(C[C@@H](C)C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000089485613 407136707 /nfs/dbraw/zinc/13/67/07/407136707.db2.gz AXHRQBYUFNFXID-SNVBAGLBSA-N 0 2 309.329 1.979 20 30 DDEDLN CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000132530938 407793014 /nfs/dbraw/zinc/79/30/14/407793014.db2.gz CWZNMVJPBQHWSI-JTQLQIEISA-N 0 2 323.312 1.762 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCOC(C)(C)C2)cc1C#N ZINC000154193475 407990775 /nfs/dbraw/zinc/99/07/75/407990775.db2.gz PDVXEHFOYRKQLV-SNVBAGLBSA-N 0 2 321.402 1.656 20 30 DDEDLN N#Cc1ccc(C(=O)NCC(=O)Nc2ccc3nn[nH]c3c2)cc1 ZINC000133775964 162066796 /nfs/dbraw/zinc/06/67/96/162066796.db2.gz RXMYZWFQIFMUGF-UHFFFAOYSA-N 0 2 320.312 1.198 20 30 DDEDLN C=C[C@@](C)(CCOC)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000289170870 409229129 /nfs/dbraw/zinc/22/91/29/409229129.db2.gz ZIZSGPLJCULMGE-INIZCTEOSA-N 0 2 316.361 1.932 20 30 DDEDLN C=C[C@H](CO)NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000290670137 409481860 /nfs/dbraw/zinc/48/18/60/409481860.db2.gz SJTFDLOXUYGHAX-CYBMUJFWSA-N 0 2 315.373 1.978 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2cnn(C)c2)cc1C#N ZINC000349760190 409908401 /nfs/dbraw/zinc/90/84/01/409908401.db2.gz VSYWHIQCPYKWCY-MRVPVSSYSA-N 0 2 317.374 1.605 20 30 DDEDLN CCOC(=O)c1cnc(C)c(C(=O)[C@@H](C#N)c2ccncn2)c1 ZINC000354480500 409884156 /nfs/dbraw/zinc/88/41/56/409884156.db2.gz XCKZEQOSQUUKBE-ZDUSSCGKSA-N 0 2 310.313 1.847 20 30 DDEDLN CCOC(=O)c1cnc(C)c(C(=O)C(C#N)c2ccncn2)c1 ZINC000354480500 409884162 /nfs/dbraw/zinc/88/41/62/409884162.db2.gz XCKZEQOSQUUKBE-ZDUSSCGKSA-N 0 2 310.313 1.847 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1cncc(F)c1 ZINC000355053061 410268383 /nfs/dbraw/zinc/26/83/83/410268383.db2.gz HZZDSYUYHYWIGY-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2nc3n(n2)CCCC3)ccc1C#N ZINC000333147818 410388248 /nfs/dbraw/zinc/38/82/48/410388248.db2.gz AFIXREMQXNOSGD-UHFFFAOYSA-N 0 2 317.374 1.595 20 30 DDEDLN C=CCOc1cccnc1C(=O)N=c1[nH][nH]c(C2CC2)c1C#N ZINC000359714674 410831234 /nfs/dbraw/zinc/83/12/34/410831234.db2.gz HDSYMUJZSQVPFE-UHFFFAOYSA-N 0 2 309.329 2.371 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCCC[C@H]2O)cc1C#N ZINC000360551064 418461348 /nfs/dbraw/zinc/46/13/48/418461348.db2.gz RMRVWFHRBSSENF-VXGBXAGGSA-N 0 2 321.402 1.804 20 30 DDEDLN CC/N=C1/NC(=O)C(CC(=O)Nc2ccc(C#N)cc2)S1 ZINC000263996151 222309635 /nfs/dbraw/zinc/30/96/35/222309635.db2.gz LTTPGHQWCPSUHJ-NSHDSACASA-N 0 2 302.359 1.494 20 30 DDEDLN CC/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)S1 ZINC000263996151 222309638 /nfs/dbraw/zinc/30/96/38/222309638.db2.gz LTTPGHQWCPSUHJ-NSHDSACASA-N 0 2 302.359 1.494 20 30 DDEDLN COC(=O)c1cc(S(=O)(=O)OCC(F)(F)C(F)F)c[nH]1 ZINC000266207831 222360517 /nfs/dbraw/zinc/36/05/17/222360517.db2.gz MHNSRXHIVIYZGA-UHFFFAOYSA-N 0 2 319.232 1.407 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N[C@H](C#N)C(C)(C)C)c1 ZINC000424706609 228307569 /nfs/dbraw/zinc/30/75/69/228307569.db2.gz KOJZMMOXVGXOAG-ASSNKEHSSA-N 0 2 308.403 1.857 20 30 DDEDLN Cn1ncc2c1[nH]cc(C(=O)N1CCCC(C)(C)[C@H]1C#N)c2=O ZINC000434436821 229296169 /nfs/dbraw/zinc/29/61/69/229296169.db2.gz LLPOKAPQOXQMTO-GFCCVEGCSA-N 0 2 313.361 1.828 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2cnn(C)c2)cc1C#N ZINC000507588166 421429463 /nfs/dbraw/zinc/42/94/63/421429463.db2.gz YHBYCPBYWYHGIG-UHFFFAOYSA-N 0 2 303.347 1.044 20 30 DDEDLN C=C(C)CS(=O)(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000655662141 424617613 /nfs/dbraw/zinc/61/76/13/424617613.db2.gz NZDQNXGZYQDVEG-NXEZZACHSA-N 0 2 301.330 1.982 20 30 DDEDLN C[C@H]1Oc2c(cccc2C(=O)Nc2nc(C#N)c(C#N)[nH]2)NC1=O ZINC000355573908 267248003 /nfs/dbraw/zinc/24/80/03/267248003.db2.gz VLBYDDYYZKDXSW-SSDOTTSWSA-N 0 2 322.284 1.125 20 30 DDEDLN N#CCc1cccc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000538825915 340855686 /nfs/dbraw/zinc/85/56/86/340855686.db2.gz DBZVNBHZZOMRML-UHFFFAOYSA-N 0 2 311.345 1.596 20 30 DDEDLN COC(=O)c1cncc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)c1 ZINC000546863402 341184031 /nfs/dbraw/zinc/18/40/31/341184031.db2.gz DJRLXNVWLQZNAF-ZDUSSCGKSA-N 0 2 310.313 1.765 20 30 DDEDLN CCn1cc(-c2nn(C)cc2C(=O)C(C#N)c2ccncn2)cn1 ZINC000548631655 341267997 /nfs/dbraw/zinc/26/79/97/341267997.db2.gz MZBUOQNUCLVUPM-GFCCVEGCSA-N 0 2 321.344 1.584 20 30 DDEDLN CCn1cc(-c2nn(C)cc2C(=O)[C@H](C#N)c2ccncn2)cn1 ZINC000548631655 341267998 /nfs/dbraw/zinc/26/79/98/341267998.db2.gz MZBUOQNUCLVUPM-GFCCVEGCSA-N 0 2 321.344 1.584 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N[C@@H](C#N)C(C)(C)C)c1 ZINC000424706620 533811414 /nfs/dbraw/zinc/81/14/14/533811414.db2.gz KOJZMMOXVGXOAG-ZSEKCTLFSA-N 0 2 308.403 1.857 20 30 DDEDLN C#CCn1ccc(CN(CCOC)C(=O)[C@@H](F)C(F)(F)F)n1 ZINC000491126816 527187992 /nfs/dbraw/zinc/18/79/92/527187992.db2.gz SMRGSCVMUPGWOH-LLVKDONJSA-N 0 2 321.274 1.392 20 30 DDEDLN C#CCn1ccc(CN(CCOC)C(=O)C(F)C(F)(F)F)n1 ZINC000491126816 527188009 /nfs/dbraw/zinc/18/80/09/527188009.db2.gz SMRGSCVMUPGWOH-LLVKDONJSA-N 0 2 321.274 1.392 20 30 DDEDLN C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000819842131 597637658 /nfs/dbraw/zinc/63/76/58/597637658.db2.gz JRVGFSAYVAJSQQ-MRXNPFEDSA-N 0 2 312.329 1.493 20 30 DDEDLN C#C[C@@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000819688675 599624469 /nfs/dbraw/zinc/62/44/69/599624469.db2.gz MATLQFLGUHBFCC-MRVPVSSYSA-N 0 2 315.333 1.082 20 30 DDEDLN C=CC1CC[NH+](CC(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC000736097009 600327168 /nfs/dbraw/zinc/32/71/68/600327168.db2.gz VKDNFGSCZAGCRO-UHFFFAOYSA-N 0 2 309.391 1.607 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+](C)[C@H](C)CC#N ZINC000831918485 602348590 /nfs/dbraw/zinc/34/85/90/602348590.db2.gz NHANNCWSBQCGLD-DGCLKSJQSA-N 0 2 322.361 1.367 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)[C@H](C)CC#N ZINC000831918485 602348592 /nfs/dbraw/zinc/34/85/92/602348592.db2.gz NHANNCWSBQCGLD-DGCLKSJQSA-N 0 2 322.361 1.367 20 30 DDEDLN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000123186953 696729609 /nfs/dbraw/zinc/72/96/09/696729609.db2.gz CKKKKIBNOGNAFT-JTQLQIEISA-N 0 2 324.300 1.554 20 30 DDEDLN C[C@@H](Oc1ccccc1C#N)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000123212164 696729657 /nfs/dbraw/zinc/72/96/57/696729657.db2.gz KAONUEGOEIIIPD-YPMHNXCESA-N 0 2 322.324 1.651 20 30 DDEDLN Cn1c(=O)c2ccc(C(=O)O[C@H](C#N)C3CC3)cc2[nH]c1=S ZINC000176059944 697400552 /nfs/dbraw/zinc/40/05/52/697400552.db2.gz PGGUSQOETMKCAJ-GFCCVEGCSA-N 0 2 315.354 1.681 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N\Cc2nnc3n2CCCC3)c1 ZINC000255034375 698410783 /nfs/dbraw/zinc/41/07/83/698410783.db2.gz ULELYUUFHXFMIH-NVNXTCNLSA-N 0 2 301.306 1.847 20 30 DDEDLN COCC(=NNc1cnnc(O)c1Cl)C1CCOCC1 ZINC000780199764 698496181 /nfs/dbraw/zinc/49/61/81/698496181.db2.gz VXQVJNHAGFKAFW-UHFFFAOYSA-N 0 2 300.746 1.677 20 30 DDEDLN COc1cc(C=NNc2[nH+]ccn2C)ccc1OCCC(=O)[O-] ZINC000790299583 699452786 /nfs/dbraw/zinc/45/27/86/699452786.db2.gz FLJXTCUCHYFHDD-UHFFFAOYSA-N 0 2 318.333 1.728 20 30 DDEDLN O=C(NO)c1ccc(CNC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000791272151 699619004 /nfs/dbraw/zinc/61/90/04/699619004.db2.gz DEDZEGJPQYEACH-UHFFFAOYSA-N 0 2 322.267 1.719 20 30 DDEDLN N#C[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000742646142 699885002 /nfs/dbraw/zinc/88/50/02/699885002.db2.gz IPVLVCORXPFHDX-NXEZZACHSA-N 0 2 322.777 1.577 20 30 DDEDLN COCc1ncc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)s1 ZINC000796816584 699954105 /nfs/dbraw/zinc/95/41/05/699954105.db2.gz JNOFQIPXBSYRAD-VIFPVBQESA-N 0 2 316.342 1.646 20 30 DDEDLN CCCC[C@H](ON=C(C)C)C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000758300910 700697097 /nfs/dbraw/zinc/69/70/97/700697097.db2.gz PSWPWOMPEPJIAT-NSHDSACASA-N 0 2 311.386 1.530 20 30 DDEDLN N#C[C@H](C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccncn1 ZINC000760352234 700804383 /nfs/dbraw/zinc/80/43/83/700804383.db2.gz JBMPCGVUMIFRMH-RYUDHWBXSA-N 0 2 310.288 1.918 20 30 DDEDLN C[C@H](NC(=O)C1CCCC1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770866577 701298277 /nfs/dbraw/zinc/29/82/77/701298277.db2.gz UUCUJZDDICYKPB-JQWIXIFHSA-N 0 2 316.361 1.007 20 30 DDEDLN C=C(C)CONC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000846539610 703293718 /nfs/dbraw/zinc/29/37/18/703293718.db2.gz BARHGUVDCKSBHO-JTQLQIEISA-N 0 2 313.379 1.667 20 30 DDEDLN C=C[C@H](C)ONC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 ZINC000846541613 703294220 /nfs/dbraw/zinc/29/42/20/703294220.db2.gz JAIPGJCDKOYTDJ-WCBMZHEXSA-N 0 2 313.379 1.666 20 30 DDEDLN C=C[C@H](C)O[N-]C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000846553198 703296122 /nfs/dbraw/zinc/29/61/22/703296122.db2.gz ZEJVTPSZOZZDDB-AAEUAGOBSA-N 0 2 308.382 1.105 20 30 DDEDLN C=C[C@H](C)O[N-]C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000846553198 703296124 /nfs/dbraw/zinc/29/61/24/703296124.db2.gz ZEJVTPSZOZZDDB-AAEUAGOBSA-N 0 2 308.382 1.105 20 30 DDEDLN CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)C(C#N)c1ccncn1 ZINC000850947598 703767344 /nfs/dbraw/zinc/76/73/44/703767344.db2.gz IOFLAWWTTXGUSV-ZUZCIYMTSA-N 0 2 305.334 1.400 20 30 DDEDLN CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1ccncn1 ZINC000850947598 703767345 /nfs/dbraw/zinc/76/73/45/703767345.db2.gz IOFLAWWTTXGUSV-ZUZCIYMTSA-N 0 2 305.334 1.400 20 30 DDEDLN Cc1ccn2cnnc2c1NS(=O)(=O)c1cccc(C#N)c1 ZINC000820799566 704332548 /nfs/dbraw/zinc/33/25/48/704332548.db2.gz WFFOCRNCSZWYNK-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN Cn1ncc2c1nc(N=NC(C1CCC1)[C@H]1CCCO1)[nH]c2=O ZINC000872352125 707387722 /nfs/dbraw/zinc/38/77/22/707387722.db2.gz DVEOUSFWGBDFSZ-LLVKDONJSA-N 0 2 316.365 1.816 20 30 DDEDLN C=C(C)C[C@@H](CO)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000882845545 707815440 /nfs/dbraw/zinc/81/54/40/707815440.db2.gz QVXAHZZGIIFHFI-VIFPVBQESA-N 0 2 320.798 1.811 20 30 DDEDLN C=CCOC[C@@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000901810891 710153418 /nfs/dbraw/zinc/15/34/18/710153418.db2.gz OSSIAXGNTJCURK-CQSZACIVSA-N 0 2 301.346 1.822 20 30 DDEDLN CO[C@H](CS(=O)(=O)Nc1c(C#N)c(C)nn1C)C(C)C ZINC000903173714 711054959 /nfs/dbraw/zinc/05/49/59/711054959.db2.gz UTQGHKIHXGJQQL-LLVKDONJSA-N 0 2 300.384 1.013 20 30 DDEDLN COC(=O)CC1CC(NS(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000921185181 713719096 /nfs/dbraw/zinc/71/90/96/713719096.db2.gz BJBGFSYWOPPQJS-UHFFFAOYSA-N 0 2 322.386 1.319 20 30 DDEDLN CCCCO[C@@H]1C[C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1(C)C ZINC001120901138 782220376 /nfs/dbraw/zinc/22/03/76/782220376.db2.gz ICHOJZPMGBWIIZ-NWDGAFQWSA-N 0 2 320.393 1.341 20 30 DDEDLN N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2nc[nH]n2)cc1 ZINC001024718530 736044506 /nfs/dbraw/zinc/04/45/06/736044506.db2.gz UXAXURLARQAPJV-HNNXBMFYSA-N 0 2 324.388 1.461 20 30 DDEDLN N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2nc[nH]n2)cc1 ZINC001024718530 736044513 /nfs/dbraw/zinc/04/45/13/736044513.db2.gz UXAXURLARQAPJV-HNNXBMFYSA-N 0 2 324.388 1.461 20 30 DDEDLN C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2nn[nH]c2C1 ZINC001024755554 736069491 /nfs/dbraw/zinc/06/94/91/736069491.db2.gz JWANUOYWPKBILJ-QWHCGFSZSA-N 0 2 303.410 1.066 20 30 DDEDLN C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001024757739 736073514 /nfs/dbraw/zinc/07/35/14/736073514.db2.gz IJYRNIGJAXXDCK-NSHDSACASA-N 0 2 314.345 1.146 20 30 DDEDLN C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001024757739 736073517 /nfs/dbraw/zinc/07/35/17/736073517.db2.gz IJYRNIGJAXXDCK-NSHDSACASA-N 0 2 314.345 1.146 20 30 DDEDLN CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001028903348 740158265 /nfs/dbraw/zinc/15/82/65/740158265.db2.gz RSHPPXCHFRQSQG-INIZCTEOSA-N 0 2 322.412 1.947 20 30 DDEDLN CC#CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001028903349 740158442 /nfs/dbraw/zinc/15/84/42/740158442.db2.gz RSHPPXCHFRQSQG-MRXNPFEDSA-N 0 2 322.412 1.947 20 30 DDEDLN CN(CCN(C)c1ccnc(C#N)n1)C(=O)C(F)C(F)(F)F ZINC001105589341 742133567 /nfs/dbraw/zinc/13/35/67/742133567.db2.gz PLVGBRMVBFCKOX-SNVBAGLBSA-N 0 2 319.262 1.143 20 30 DDEDLN CN(CCN(C)c1ccnc(C#N)n1)C(=O)[C@@H](F)C(F)(F)F ZINC001105589341 742133569 /nfs/dbraw/zinc/13/35/69/742133569.db2.gz PLVGBRMVBFCKOX-SNVBAGLBSA-N 0 2 319.262 1.143 20 30 DDEDLN Cn1cnc(NS(=O)(=O)Cc2ccc(F)c(F)c2)c1C#N ZINC001189277558 744868131 /nfs/dbraw/zinc/86/81/31/744868131.db2.gz JPGVHIIOCFIIQS-UHFFFAOYSA-N 0 2 312.301 1.512 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cc(F)c(F)c(C#N)c2)n1C ZINC001198400912 747479186 /nfs/dbraw/zinc/47/91/86/747479186.db2.gz SZXQXRZNOWOGIQ-UHFFFAOYSA-N 0 2 312.301 1.679 20 30 DDEDLN CCN(CCNc1ccc(C#N)nn1)C(=O)C(F)C(F)(F)F ZINC001106975839 748456016 /nfs/dbraw/zinc/45/60/16/748456016.db2.gz HTYDBCMZNOZCNG-JTQLQIEISA-N 0 2 319.262 1.509 20 30 DDEDLN CCN(CCNc1ccc(C#N)nn1)C(=O)[C@H](F)C(F)(F)F ZINC001106975839 748456025 /nfs/dbraw/zinc/45/60/25/748456025.db2.gz HTYDBCMZNOZCNG-JTQLQIEISA-N 0 2 319.262 1.509 20 30 DDEDLN COCCn1cc(NS(=O)(=O)c2ccc(C)c(C#N)c2)cn1 ZINC001201294869 748468033 /nfs/dbraw/zinc/46/80/33/748468033.db2.gz IISDUBVBPXQSEE-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN Cc1cc(N[C@H](C)CNC(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001098327148 762034218 /nfs/dbraw/zinc/03/42/18/762034218.db2.gz BWLOKDBALYJDHY-KCJUWKMLSA-N 0 2 318.274 1.501 20 30 DDEDLN Cc1cc(N[C@H](C)CNC(=O)[C@H](F)C(F)(F)F)c(C#N)cn1 ZINC001098327148 762034224 /nfs/dbraw/zinc/03/42/24/762034224.db2.gz BWLOKDBALYJDHY-KCJUWKMLSA-N 0 2 318.274 1.501 20 30 DDEDLN CC#CCN1CCO[C@@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001107955904 750900310 /nfs/dbraw/zinc/90/03/10/750900310.db2.gz CIXGQOCVQHSQKT-PWSUYJOCSA-N 0 2 310.291 1.117 20 30 DDEDLN CC(C)C#CC(=O)NC1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC001063307303 754079606 /nfs/dbraw/zinc/07/96/06/754079606.db2.gz MYCSUQLTXHWTQS-NSHDSACASA-N 0 2 322.302 1.701 20 30 DDEDLN CC(C)C#CC(=O)NC1(CNC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001063307303 754079613 /nfs/dbraw/zinc/07/96/13/754079613.db2.gz MYCSUQLTXHWTQS-NSHDSACASA-N 0 2 322.302 1.701 20 30 DDEDLN CC#CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001082200012 756674171 /nfs/dbraw/zinc/67/41/71/756674171.db2.gz MVJNAJURHHRQIV-IXDOHACOSA-N 0 2 321.465 1.088 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1 ZINC001109596593 763856821 /nfs/dbraw/zinc/85/68/21/763856821.db2.gz XSOJJXNDFBMKOW-WOPDTQHZSA-N 0 2 319.409 1.334 20 30 DDEDLN CN(CCNC(=O)C(F)C(F)(F)F)c1ncccc1C#N ZINC001100367143 776060970 /nfs/dbraw/zinc/06/09/70/776060970.db2.gz TXPYJSHNXBFKOT-SECBINFHSA-N 0 2 304.247 1.406 20 30 DDEDLN CN(CCNC(=O)[C@@H](F)C(F)(F)F)c1ncccc1C#N ZINC001100367143 776060976 /nfs/dbraw/zinc/06/09/76/776060976.db2.gz TXPYJSHNXBFKOT-SECBINFHSA-N 0 2 304.247 1.406 20 30 DDEDLN C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001267785573 838974202 /nfs/dbraw/zinc/97/42/02/838974202.db2.gz GFOMBKLRUFSSOO-GFCCVEGCSA-N 0 2 307.398 1.289 20 30 DDEDLN C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001267785573 838974208 /nfs/dbraw/zinc/97/42/08/838974208.db2.gz GFOMBKLRUFSSOO-GFCCVEGCSA-N 0 2 307.398 1.289 20 30 DDEDLN C[C@@H](NC(=O)C(F)(F)c1ccccc1C#N)c1nn(C)cc1O ZINC001412772023 855246321 /nfs/dbraw/zinc/24/63/21/855246321.db2.gz VIJKZHFBXXCUMP-SECBINFHSA-N 0 2 320.299 1.967 20 30 DDEDLN Cc1cnc([C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C2CC2)s1 ZINC001412873163 855744645 /nfs/dbraw/zinc/74/46/45/855744645.db2.gz VTWQKEPDGQPGOF-JTQLQIEISA-N 0 2 317.374 1.273 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1nncn1-c1ccccc1 ZINC001151337664 862734130 /nfs/dbraw/zinc/73/41/30/862734130.db2.gz HPYRYCNBAPULJE-UHFFFAOYSA-N 0 2 320.312 1.800 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCCC2)[C@H](C)C1 ZINC001123944546 859487285 /nfs/dbraw/zinc/48/72/85/859487285.db2.gz ZIBNHUIMSFQWCT-WBVHZDCISA-N 0 2 303.450 1.559 20 30 DDEDLN C[C@H](NC(=O)C(=O)C=Cc1ccc(F)cc1)c1nn(C)cc1O ZINC001158308258 864563091 /nfs/dbraw/zinc/56/30/91/864563091.db2.gz VCFCIIIXZDZVKG-YVFTVSHDSA-N 0 2 317.320 1.725 20 30 DDEDLN C#CC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1)C(=O)[O-] ZINC001334998638 867983950 /nfs/dbraw/zinc/98/39/50/867983950.db2.gz TWDYDBCSMMCULL-LSDHHAIUSA-N 0 2 315.373 1.029 20 30 DDEDLN C#CC[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1)C(=O)[O-] ZINC001334998638 867983953 /nfs/dbraw/zinc/98/39/53/867983953.db2.gz TWDYDBCSMMCULL-LSDHHAIUSA-N 0 2 315.373 1.029 20 30 DDEDLN Cn1c(=O)[nH]c(N2CCC[C@]3(CC=CCC3)C2)c(C#N)c1=O ZINC001337771948 869623507 /nfs/dbraw/zinc/62/35/07/869623507.db2.gz IYBFAFWCYSDBFI-MRXNPFEDSA-N 0 2 300.362 1.272 20 30 DDEDLN Cn1c(=O)[nH]c(NCC[C@]2(C)C[C@]2(F)Cl)c(C#N)c1=O ZINC001337906545 869682556 /nfs/dbraw/zinc/68/25/56/869682556.db2.gz JLUHMASGBRBRMK-VXGBXAGGSA-N 0 2 300.721 1.062 20 30 DDEDLN N#Cc1cnc(N2CCC(NC(=O)C(F)(F)F)CC2)c(F)c1 ZINC001166893745 870348961 /nfs/dbraw/zinc/34/89/61/870348961.db2.gz DWCFNPAMKINOLT-UHFFFAOYSA-N 0 2 316.258 1.740 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CC[C@@H](CF)C1 ZINC001340206855 870957533 /nfs/dbraw/zinc/95/75/33/870957533.db2.gz DCUHYPKQAQURAX-NSHDSACASA-N 0 2 320.372 1.849 20 30 DDEDLN N#CC(C(=O)COc1ccc(C(N)=O)cc1)c1cccc(F)n1 ZINC001343311366 872575420 /nfs/dbraw/zinc/57/54/20/872575420.db2.gz FMBWFERZTBUIRO-LBPRGKRZSA-N 0 2 313.288 1.575 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001344467348 873013901 /nfs/dbraw/zinc/01/39/01/873013901.db2.gz YFVMQJCHSQNPBS-BZPMIXESSA-N 0 2 301.346 1.659 20 30 DDEDLN N#C[C@H](Oc1[nH]c(=O)nc2c(=O)[nH]c(=O)[nH]c21)c1ccccc1 ZINC001226888695 882704451 /nfs/dbraw/zinc/70/44/51/882704451.db2.gz UTZWQOIPUAWSKX-QMMMGPOBSA-N 0 2 311.257 1.180 20 30 DDEDLN CCN(CCCNC(=O)[C@@H](F)C(F)(F)F)C(=O)C#CC(C)C ZINC001352195218 876642201 /nfs/dbraw/zinc/64/22/01/876642201.db2.gz FOUGHOVYLRWNGX-GFCCVEGCSA-N 0 2 324.318 1.901 20 30 DDEDLN CCN(CCCNC(=O)C(F)C(F)(F)F)C(=O)C#CC(C)C ZINC001352195218 876642197 /nfs/dbraw/zinc/64/21/97/876642197.db2.gz FOUGHOVYLRWNGX-GFCCVEGCSA-N 0 2 324.318 1.901 20 30 DDEDLN Cc1ccc(S(=O)(=O)Nc2nnn(C(C)C)n2)c(C#N)c1 ZINC001364045889 887789945 /nfs/dbraw/zinc/78/99/45/887789945.db2.gz KUYGGAKIRSJQSK-UHFFFAOYSA-N 0 2 306.351 1.235 20 30 DDEDLN C=CCCC(=O)N1C[C@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@H]21 ZINC001289775780 913240910 /nfs/dbraw/zinc/24/09/10/913240910.db2.gz NIPSXJPEXJMHBL-FOGDFJRCSA-N 0 2 322.302 1.912 20 30 DDEDLN C=CCCC(=O)N1C[C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C[C@H]21 ZINC001289775780 913240928 /nfs/dbraw/zinc/24/09/28/913240928.db2.gz NIPSXJPEXJMHBL-FOGDFJRCSA-N 0 2 322.302 1.912 20 30 DDEDLN C=CCCCCCC[C@H](O)C[NH2+][C@@H](CCC(=O)[O-])C(=O)OC ZINC001253248800 895747329 /nfs/dbraw/zinc/74/73/29/895747329.db2.gz CEBWBXGTMOQPJE-KBPBESRZSA-N 0 2 315.410 1.870 20 30 DDEDLN COc1cc(CO)ccc1NS(=O)(=O)c1ccccc1C#N ZINC001258278983 898125767 /nfs/dbraw/zinc/12/57/67/898125767.db2.gz QYWLVHOKJOZQDJ-UHFFFAOYSA-N 0 2 318.354 1.860 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)ccn1 ZINC001259074203 898452888 /nfs/dbraw/zinc/45/28/88/898452888.db2.gz NHUOLZFPYMTHPA-UHFFFAOYSA-N 0 2 313.260 1.593 20 30 DDEDLN N#Cc1ccccc1CN1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001391420000 901707250 /nfs/dbraw/zinc/70/72/50/901707250.db2.gz IFCUGWUUSWPROP-LBPRGKRZSA-N 0 2 315.270 1.759 20 30 DDEDLN N#Cc1ccccc1CN1CC(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001391420000 901707258 /nfs/dbraw/zinc/70/72/58/901707258.db2.gz IFCUGWUUSWPROP-LBPRGKRZSA-N 0 2 315.270 1.759 20 30 DDEDLN CC(C)(C)C#CC(=O)NCC1(NC(=O)C(F)C(F)(F)F)CC1 ZINC001285923575 911447166 /nfs/dbraw/zinc/44/71/66/911447166.db2.gz KZYRJIYLXQZUKA-SNVBAGLBSA-N 0 2 322.302 1.701 20 30 DDEDLN CC(C)(C)C#CC(=O)NCC1(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001285923575 911447175 /nfs/dbraw/zinc/44/71/75/911447175.db2.gz KZYRJIYLXQZUKA-SNVBAGLBSA-N 0 2 322.302 1.701 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001297110424 916735155 /nfs/dbraw/zinc/73/51/55/916735155.db2.gz KLFJFTXBRSMPRL-LBPRGKRZSA-N 0 2 304.394 1.190 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2nnc(C3CC3)o2)ccc1C#N ZINC000278551925 214231363 /nfs/dbraw/zinc/23/13/63/214231363.db2.gz ZGUJPKUXSWQIAJ-UHFFFAOYSA-N 0 2 304.331 1.928 20 30 DDEDLN CN1CC[C@@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)CC1=O ZINC000329097148 539300982 /nfs/dbraw/zinc/30/09/82/539300982.db2.gz LMDRNBQXGQFAHD-SNVBAGLBSA-N 0 2 315.333 1.634 20 30 DDEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)C[C@H]1CCCO1 ZINC000172367329 198086360 /nfs/dbraw/zinc/08/63/60/198086360.db2.gz UNLPNHNWVFVVBI-GFCCVEGCSA-N 0 2 310.375 1.878 20 30 DDEDLN CCC[C@](C)(CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000344405795 282817804 /nfs/dbraw/zinc/81/78/04/282817804.db2.gz ATUIPKCXIQMNHT-CQSZACIVSA-N 0 2 309.391 1.662 20 30 DDEDLN CSc1nc(C)c(CCC(=O)NC2=NC(=O)CN2)c(C)n1 ZINC000050222250 352564482 /nfs/dbraw/zinc/56/44/82/352564482.db2.gz SNFGYZGOTRAMGY-UHFFFAOYSA-N 0 2 307.379 1.190 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCc2ccco2)cc1C#N ZINC000074070852 353289047 /nfs/dbraw/zinc/28/90/47/353289047.db2.gz FQJVASWNFILUEV-UHFFFAOYSA-N 0 2 303.343 1.946 20 30 DDEDLN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000580775648 354726704 /nfs/dbraw/zinc/72/67/04/354726704.db2.gz HGBFLNOPNAQCDX-IJLUTSLNSA-N 0 2 306.366 1.198 20 30 DDEDLN CC(C)C[C@@H](Nc1[nH+]cnc2c1cnn2CCC#N)C(=O)[O-] ZINC000591325203 355288998 /nfs/dbraw/zinc/28/89/98/355288998.db2.gz LDDAMBXWDRASGU-LLVKDONJSA-N 0 2 302.338 1.651 20 30 DDEDLN COc1ccc2c(c1)C1=NN(c3oc(C)nc3C#N)C(=O)[C@H]1C2 ZINC000601939409 358745703 /nfs/dbraw/zinc/74/57/03/358745703.db2.gz PGLMJYSCHFDXRE-LBPRGKRZSA-N 0 2 308.297 1.787 20 30 DDEDLN CCOCc1nnc(NS(=O)(=O)c2cc(C#N)ccc2C)o1 ZINC000194965924 201318824 /nfs/dbraw/zinc/31/88/24/201318824.db2.gz NJWHGPCRWOCPQA-UHFFFAOYSA-N 0 2 322.346 1.587 20 30 DDEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)c1cnn(C)c1 ZINC000057125642 184027137 /nfs/dbraw/zinc/02/71/37/184027137.db2.gz IKOGTWMMWMFZRW-UHFFFAOYSA-N 0 2 306.347 1.491 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](C)C2CCOCC2)cc1C#N ZINC000119632024 195006564 /nfs/dbraw/zinc/00/65/64/195006564.db2.gz AFEQHARRARXXPY-SECBINFHSA-N 0 2 321.402 1.513 20 30 DDEDLN C=CCN(C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1)C1CC1 ZINC000271468349 407696107 /nfs/dbraw/zinc/69/61/07/407696107.db2.gz YEBRXWOQXGAAMO-UHFFFAOYSA-N 0 2 300.318 1.535 20 30 DDEDLN CCN(CCC#N)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000269657930 408379998 /nfs/dbraw/zinc/37/99/98/408379998.db2.gz SPHIUYYQCGTYMU-UHFFFAOYSA-N 0 2 301.306 1.120 20 30 DDEDLN CCn1cc(NS(=O)(=O)c2ccc(C#N)cc2OC)cn1 ZINC000184801944 408691311 /nfs/dbraw/zinc/69/13/11/408691311.db2.gz XRURXIFDOMADHR-UHFFFAOYSA-N 0 2 306.347 1.584 20 30 DDEDLN CCc1nn(C)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000314960853 164016828 /nfs/dbraw/zinc/01/68/28/164016828.db2.gz VKUWNFSWQQTSHQ-UHFFFAOYSA-N 0 2 305.363 1.358 20 30 DDEDLN C[C@@H]1CC(C(=O)NS(=O)(=O)c2cncc(C#N)c2)C[C@@H](C)C1 ZINC000408489184 164347685 /nfs/dbraw/zinc/34/76/85/164347685.db2.gz QJDCMZKLAIEEGG-QWRGUYRKSA-N 0 2 321.402 1.830 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC(C)(C)C[C@@H](C)O)cc1C#N ZINC000349760773 409908988 /nfs/dbraw/zinc/90/89/88/409908988.db2.gz YRQUVIJSLIBJPF-SECBINFHSA-N 0 2 323.418 1.908 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@]23CCOC3)cc1C#N ZINC000357364659 409993315 /nfs/dbraw/zinc/99/33/15/409993315.db2.gz KGMKJNPWZCRPSW-OAHLLOKOSA-N 0 2 319.386 1.776 20 30 DDEDLN CO[C@@H]1CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC[C@@H]1C ZINC000346855380 410200024 /nfs/dbraw/zinc/20/00/24/410200024.db2.gz ZUXPKJRWXACKRT-JOYOIKCWSA-N 0 2 321.402 1.878 20 30 DDEDLN Cn1cc(C(N)=O)cc1C(O)=C(C#N)c1cnc2ccccc2n1 ZINC000190900430 222091097 /nfs/dbraw/zinc/09/10/97/222091097.db2.gz OECHRUIPSQQBFV-LLVKDONJSA-N 0 2 319.324 1.557 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)c(F)c1 ZINC000359158416 418655894 /nfs/dbraw/zinc/65/58/94/418655894.db2.gz VVMIDXSWWUOABB-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN COCCS(=O)(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000364675815 418799987 /nfs/dbraw/zinc/79/99/87/418799987.db2.gz MMNHMNSKCDQWHK-UHFFFAOYSA-N 0 2 324.337 1.271 20 30 DDEDLN N#CCCn1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000427236187 419624503 /nfs/dbraw/zinc/62/45/03/419624503.db2.gz DYSDZWWGVKPYOE-UHFFFAOYSA-N 0 2 319.321 1.608 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2nnc(C(C)C)o2)cc1C#N ZINC000427761935 419731501 /nfs/dbraw/zinc/73/15/01/419731501.db2.gz GHEINZHKLVNORN-UHFFFAOYSA-N 0 2 307.335 1.569 20 30 DDEDLN C=C[C@H]1CCCCN1C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000428042713 419799730 /nfs/dbraw/zinc/79/97/30/419799730.db2.gz VPNLEKZKDOHQIM-JTQLQIEISA-N 0 2 300.318 1.617 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)/C=C\c2ccccc2)c1 ZINC000493022946 420737984 /nfs/dbraw/zinc/73/79/84/420737984.db2.gz WIQRIKROEJJAGE-SREVYHEPSA-N 0 2 313.338 1.472 20 30 DDEDLN Cc1ccc(/C=C\C(=O)NS(=O)(=O)c2cncc(C#N)c2)o1 ZINC000493535393 420875284 /nfs/dbraw/zinc/87/52/84/420875284.db2.gz YMANWKJGHYEZBR-PLNGDYQASA-N 0 2 317.326 1.373 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCO[C@H](C)C2)cc1C#N ZINC000356866401 269816885 /nfs/dbraw/zinc/81/68/85/269816885.db2.gz ITULSRUQZUXKRO-ZJUUUORDSA-N 0 2 321.402 1.926 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2ccc(C#N)c(F)c2)s1 ZINC000589976726 422317725 /nfs/dbraw/zinc/31/77/25/422317725.db2.gz SSGOUMSVKHTDMR-UHFFFAOYSA-N 0 2 308.319 1.826 20 30 DDEDLN N#Cc1cc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)c[nH]1 ZINC000185968934 263395361 /nfs/dbraw/zinc/39/53/61/263395361.db2.gz IJRWLATZVZKZDE-UHFFFAOYSA-N 0 2 322.328 1.513 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CCC[C@@H]2O)cc1C#N ZINC000341790782 271213706 /nfs/dbraw/zinc/21/37/06/271213706.db2.gz PJIUMJDYBKLJEX-MNOVXSKESA-N 0 2 307.375 1.366 20 30 DDEDLN COc1ccc2c(c1)OC[C@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)C2 ZINC000064656047 295268766 /nfs/dbraw/zinc/26/87/66/295268766.db2.gz AMFYGLYRLZZSBE-SNVBAGLBSA-N 0 2 323.312 1.351 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2ncccc2F)cc1C#N ZINC000162567437 298199794 /nfs/dbraw/zinc/19/97/94/298199794.db2.gz BKWKZRWEJLOICD-UHFFFAOYSA-N 0 2 318.333 1.433 20 30 DDEDLN CC(=O)c1ccc(O)c(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000436942376 484128585 /nfs/dbraw/zinc/12/85/85/484128585.db2.gz VLHFLZOJOQZIBL-UHFFFAOYSA-N 0 2 317.326 1.662 20 30 DDEDLN N#C[C@@H](C(=O)c1ccn2nnnc2c1)c1nc(C2CC2)cs1 ZINC000659116473 484637999 /nfs/dbraw/zinc/63/79/99/484637999.db2.gz XFSAKJQQQOHTGI-JTQLQIEISA-N 0 2 310.342 1.948 20 30 DDEDLN C=CCCC(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1 ZINC000330622653 527071687 /nfs/dbraw/zinc/07/16/87/527071687.db2.gz OBYGWHCDPNPFLH-UHFFFAOYSA-N 0 2 315.420 1.366 20 30 DDEDLN Cc1cc(=O)[nH]c(N=NC2CC[NH+](CCCC(=O)[O-])CC2)n1 ZINC000738464041 600003705 /nfs/dbraw/zinc/00/37/05/600003705.db2.gz YCFAGIPVQBJQFQ-UHFFFAOYSA-N 0 2 307.354 1.219 20 30 DDEDLN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823715335 603837980 /nfs/dbraw/zinc/83/79/80/603837980.db2.gz RWNIVMOBDQZJCC-SMDDNHRTSA-N 0 2 316.361 1.569 20 30 DDEDLN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823715335 603837981 /nfs/dbraw/zinc/83/79/81/603837981.db2.gz RWNIVMOBDQZJCC-SMDDNHRTSA-N 0 2 316.361 1.569 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000827881793 603846206 /nfs/dbraw/zinc/84/62/06/603846206.db2.gz HXGIFSBQKKQFRY-ZDUSSCGKSA-N 0 2 302.334 1.181 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000827881793 603846210 /nfs/dbraw/zinc/84/62/10/603846210.db2.gz HXGIFSBQKKQFRY-ZDUSSCGKSA-N 0 2 302.334 1.181 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000825352132 604599040 /nfs/dbraw/zinc/59/90/40/604599040.db2.gz QXOWJAAHUPAOPV-DOMZBBRYSA-N 0 2 319.361 1.294 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000825352132 604599043 /nfs/dbraw/zinc/59/90/43/604599043.db2.gz QXOWJAAHUPAOPV-DOMZBBRYSA-N 0 2 319.361 1.294 20 30 DDEDLN C/N=C1\S[C@@H](CC(=O)NCCc2ccccc2F)C(=O)N1C ZINC000055117232 696282042 /nfs/dbraw/zinc/28/20/42/696282042.db2.gz NXZBIJFPCXLZGG-JTFSYWPOSA-N 0 2 323.393 1.434 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CN1CCc2ccccc21 ZINC000772681262 697660381 /nfs/dbraw/zinc/66/03/81/697660381.db2.gz QHUNJCKWFXNNFU-CYBMUJFWSA-N 0 2 308.341 1.374 20 30 DDEDLN Cn1ncc2c1[nH]c(NN=CC1Cc3ccccc3C1)nc2=O ZINC000766451606 701051297 /nfs/dbraw/zinc/05/12/97/701051297.db2.gz SRDMTXMNAVGSQX-UHFFFAOYSA-N 0 2 308.345 1.882 20 30 DDEDLN Cn1ncc2c1nc(N=NCC1Cc3ccccc3C1)[nH]c2=O ZINC000766451606 701051298 /nfs/dbraw/zinc/05/12/98/701051298.db2.gz SRDMTXMNAVGSQX-UHFFFAOYSA-N 0 2 308.345 1.882 20 30 DDEDLN O=C(NCc1nccn1CC(F)(F)F)C(F)C(F)(F)F ZINC000810338946 701756213 /nfs/dbraw/zinc/75/62/13/701756213.db2.gz DRDPHXDXRIGNMZ-LURJTMIESA-N 0 2 307.169 1.962 20 30 DDEDLN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)C(F)C(F)(F)F ZINC000810663105 701814284 /nfs/dbraw/zinc/81/42/84/701814284.db2.gz NDWIMVMLWLASCS-NTSWFWBYSA-N 0 2 324.196 1.556 20 30 DDEDLN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)[C@@H](F)C(F)(F)F ZINC000810663105 701814289 /nfs/dbraw/zinc/81/42/89/701814289.db2.gz NDWIMVMLWLASCS-NTSWFWBYSA-N 0 2 324.196 1.556 20 30 DDEDLN COC(=O)CCCONC(=O)CSc1ccc(C#N)cc1 ZINC000811560815 702005269 /nfs/dbraw/zinc/00/52/69/702005269.db2.gz HDLVHODRIKOGLN-UHFFFAOYSA-N 0 2 308.359 1.651 20 30 DDEDLN C#CC[C@H](CO)NC(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000816670566 702140513 /nfs/dbraw/zinc/14/05/13/702140513.db2.gz ZIQZXMASJBASOB-GFCCVEGCSA-N 0 2 317.320 1.139 20 30 DDEDLN Cc1cc(C#N)nc(N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)n1 ZINC000866285343 706665287 /nfs/dbraw/zinc/66/52/87/706665287.db2.gz YRMSNZHDMUKLMW-GFCCVEGCSA-N 0 2 313.283 1.304 20 30 DDEDLN CCc1ccc([C@@H](C#N)NC(=O)C[C@@H]2SC(=N)NC2=O)cc1 ZINC000813676595 702396326 /nfs/dbraw/zinc/39/63/26/702396326.db2.gz OXEQYNDROJSJRG-NEPJUHHUSA-N 0 2 316.386 1.486 20 30 DDEDLN CO[C@H](C(=O)OC(C)(C)C)C(=O)C(C#N)c1nc(C)cs1 ZINC000870116814 703919032 /nfs/dbraw/zinc/91/90/32/703919032.db2.gz HNBVGMURTOHBOQ-ONGXEEELSA-N 0 2 310.375 1.985 20 30 DDEDLN N#Cc1cccc(ONC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000870693698 704105754 /nfs/dbraw/zinc/10/57/54/704105754.db2.gz QTDFODITMQHFQD-ZDUSSCGKSA-N 0 2 313.357 1.759 20 30 DDEDLN C=CC[C@@H](CO)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000860800488 705285975 /nfs/dbraw/zinc/28/59/75/705285975.db2.gz WOHZERZCINFPAA-QMMMGPOBSA-N 0 2 320.267 1.125 20 30 DDEDLN C#C[C@H](CC)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000861309220 705426578 /nfs/dbraw/zinc/42/65/78/705426578.db2.gz MMJOIDKOAYHFQN-MRVPVSSYSA-N 0 2 302.252 1.600 20 30 DDEDLN CC1(C#N)CC[NH+](CC(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000833551521 707009288 /nfs/dbraw/zinc/00/92/88/707009288.db2.gz NSCJNKQVYROOJK-UHFFFAOYSA-N 0 2 301.346 1.949 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)cc1C#N ZINC000872415272 707403083 /nfs/dbraw/zinc/40/30/83/707403083.db2.gz FZLZJZRSMQNHST-UHFFFAOYSA-N 0 2 320.374 1.718 20 30 DDEDLN C=CCONC(=O)CSc1nnc(-c2ccco2)n1CC ZINC000837044556 707570290 /nfs/dbraw/zinc/57/02/90/707570290.db2.gz OLKPGGVCRBPAAU-UHFFFAOYSA-N 0 2 308.363 1.884 20 30 DDEDLN C#CC[C@H](NC(=O)C[N@@H+](CC)Cc1ccccc1Cl)C(=O)[O-] ZINC000910051714 709754592 /nfs/dbraw/zinc/75/45/92/709754592.db2.gz ZCTIRVCENRYHSV-AWEZNQCLSA-N 0 2 322.792 1.755 20 30 DDEDLN C#CC[C@H](NC(=O)C[N@H+](CC)Cc1ccccc1Cl)C(=O)[O-] ZINC000910051714 709754594 /nfs/dbraw/zinc/75/45/94/709754594.db2.gz ZCTIRVCENRYHSV-AWEZNQCLSA-N 0 2 322.792 1.755 20 30 DDEDLN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000908034506 712669888 /nfs/dbraw/zinc/66/98/88/712669888.db2.gz HGBFLNOPNAQCDX-WOPDTQHZSA-N 0 2 306.366 1.198 20 30 DDEDLN N#CCN1CCOC2(CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000949370384 720044340 /nfs/dbraw/zinc/04/43/40/720044340.db2.gz RATMDMMKPKHPAJ-SNVBAGLBSA-N 0 2 323.290 1.104 20 30 DDEDLN N#CCN1CCOC2(CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC000949370384 720044346 /nfs/dbraw/zinc/04/43/46/720044346.db2.gz RATMDMMKPKHPAJ-SNVBAGLBSA-N 0 2 323.290 1.104 20 30 DDEDLN CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3n[nH]c4ccccc43)[C@H]2C1 ZINC001083263830 735427139 /nfs/dbraw/zinc/42/71/39/735427139.db2.gz RNXXYLWLZYMPAK-JKSUJKDBSA-N 0 2 324.384 1.111 20 30 DDEDLN C=CC[NH+]1CC(OC2CCN(C(=O)C[N@H+](C)CCC)CC2)C1 ZINC001105733533 743768575 /nfs/dbraw/zinc/76/85/75/743768575.db2.gz GDBPAKXILWPHTD-UHFFFAOYSA-N 0 2 309.454 1.206 20 30 DDEDLN N#Cc1cc(NC(=O)CCc2ccc(N)[nH+]c2)c([O-])cc1F ZINC001183934883 743930159 /nfs/dbraw/zinc/93/01/59/743930159.db2.gz NMMLXDJBJZZHRQ-UHFFFAOYSA-N 0 2 300.293 1.951 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccc(Cl)c(C)c1 ZINC001185543561 744252423 /nfs/dbraw/zinc/25/24/23/744252423.db2.gz IMNVFPSDZZMIJB-LLVKDONJSA-N 0 2 316.766 1.382 20 30 DDEDLN C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001190444808 745209213 /nfs/dbraw/zinc/20/92/13/745209213.db2.gz RYMGHPZXNOHODB-KGLIPLIRSA-N 0 2 319.852 1.952 20 30 DDEDLN COc1ncccc1S(=O)(=O)Nc1ccc(C#N)c(C#N)c1 ZINC001194718956 746449266 /nfs/dbraw/zinc/44/92/66/746449266.db2.gz MKPJBGMLCPFVCI-UHFFFAOYSA-N 0 2 314.326 1.634 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cc(C#N)cnc2C)cn1 ZINC001195694570 746680472 /nfs/dbraw/zinc/68/04/72/746680472.db2.gz FHTLLOINRPCQQM-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN COc1cc(S(=O)(=O)Nc2cnc(C#N)nc2)ccc1F ZINC001200376007 748227924 /nfs/dbraw/zinc/22/79/24/748227924.db2.gz YJAIJCQIQUUREB-UHFFFAOYSA-N 0 2 308.294 1.297 20 30 DDEDLN C[C@H](CNc1cnc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001108170896 753345804 /nfs/dbraw/zinc/34/58/04/753345804.db2.gz QSRMADXCYOSPBF-MUWHJKNJSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@H](F)C(F)(F)F ZINC001108170896 753345812 /nfs/dbraw/zinc/34/58/12/753345812.db2.gz QSRMADXCYOSPBF-MUWHJKNJSA-N 0 2 305.235 1.165 20 30 DDEDLN C=CCCC(=O)N1CC(N(CC)C(=O)C(F)C(F)(F)F)C1 ZINC001079901936 755624938 /nfs/dbraw/zinc/62/49/38/755624938.db2.gz ZOZBFAZSXZTIJG-NSHDSACASA-N 0 2 310.291 1.912 20 30 DDEDLN C=CCCC(=O)N1CC(N(CC)C(=O)[C@H](F)C(F)(F)F)C1 ZINC001079901936 755624939 /nfs/dbraw/zinc/62/49/39/755624939.db2.gz ZOZBFAZSXZTIJG-NSHDSACASA-N 0 2 310.291 1.912 20 30 DDEDLN C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nc[nH]n2)C1 ZINC001108287510 761782210 /nfs/dbraw/zinc/78/22/10/761782210.db2.gz VGBMNLIJSOYPAV-INIZCTEOSA-N 0 2 321.425 1.372 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001098327423 763526341 /nfs/dbraw/zinc/52/63/41/763526341.db2.gz JEPNSYMHKJLBRG-HZGVNTEJSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001098327423 763526346 /nfs/dbraw/zinc/52/63/46/763526346.db2.gz JEPNSYMHKJLBRG-HZGVNTEJSA-N 0 2 305.235 1.165 20 30 DDEDLN Cc1[nH+]c[nH]c1CC(=O)NC1CC(CNc2ccc(C#N)nc2)C1 ZINC001067859993 766760981 /nfs/dbraw/zinc/76/09/81/766760981.db2.gz FPLYNLSOWOFGIV-UHFFFAOYSA-N 0 2 324.388 1.534 20 30 DDEDLN CC#CCCCC(=O)NC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001285738859 843298249 /nfs/dbraw/zinc/29/82/49/843298249.db2.gz QOYSFKOTVUBXSU-ONGXEEELSA-N 0 2 310.291 1.701 20 30 DDEDLN CC#CCCCC(=O)NC[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001285738859 843298258 /nfs/dbraw/zinc/29/82/58/843298258.db2.gz QOYSFKOTVUBXSU-ONGXEEELSA-N 0 2 310.291 1.701 20 30 DDEDLN C[C@H](Cc1cccs1)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001412869345 855742805 /nfs/dbraw/zinc/74/28/05/855742805.db2.gz GTGNCADKOBPYKA-SECBINFHSA-N 0 2 304.375 1.074 20 30 DDEDLN C=CCOCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001329476348 863689477 /nfs/dbraw/zinc/68/94/77/863689477.db2.gz ZHWURURYXGHZSS-CABCVRRESA-N 0 2 320.437 1.085 20 30 DDEDLN C#CC[NH+]1CCC(C(=O)N2CCC(c3c[nH+]cn3C)CC2)CC1 ZINC001341093457 871497810 /nfs/dbraw/zinc/49/78/10/871497810.db2.gz BKAPYKXKOHQDMD-UHFFFAOYSA-N 0 2 314.433 1.471 20 30 DDEDLN N#C[C@@H](C(=O)C=Cc1ccncn1)c1nc(N)c2ccccc2n1 ZINC001341803986 871834202 /nfs/dbraw/zinc/83/42/02/871834202.db2.gz HIMDEYKRQXQXDF-SZZPACECSA-N 0 2 316.324 1.892 20 30 DDEDLN N#CC(C(=O)CCCN1C(=O)CCC1=O)c1ncc(F)cc1F ZINC001347993898 874330993 /nfs/dbraw/zinc/33/09/93/874330993.db2.gz PWIIPNMZJRXCLW-JTQLQIEISA-N 0 2 321.283 1.465 20 30 DDEDLN C=C1O[C@H](C)C(=O)C1Oc1[nH]c(=O)ncc1Br ZINC001227139024 882871275 /nfs/dbraw/zinc/87/12/75/882871275.db2.gz XSEXOXNKTRTLHO-SCSAIBSYSA-N 0 2 301.096 1.543 20 30 DDEDLN Cn1c(=O)[nH]c(NCC2(C)CCC(C)(C)CC2)c(C#N)c1=O ZINC001413896771 880532156 /nfs/dbraw/zinc/53/21/56/880532156.db2.gz QWDUAILVSMKNJW-UHFFFAOYSA-N 0 2 304.394 1.964 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2cnn(CCF)c2)cc1C#N ZINC001363256429 885833651 /nfs/dbraw/zinc/83/36/51/885833651.db2.gz UCPRHXMEOVGPMZ-UHFFFAOYSA-N 0 2 321.337 1.799 20 30 DDEDLN C[N@H+]1[C@@H]2C[C@@H](Oc3cccc4c3CC[NH+](C)C4)C[C@H]1[C@@H]1O[C@@H]12 ZINC001234422706 887955074 /nfs/dbraw/zinc/95/50/74/887955074.db2.gz IWYHVQUTWQQIID-YPDBZUBKSA-N 0 2 300.402 1.666 20 30 DDEDLN C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001278509950 893752936 /nfs/dbraw/zinc/75/29/36/893752936.db2.gz HQJJXNBLAYBQJO-VXGBXAGGSA-N 0 2 307.398 1.336 20 30 DDEDLN C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001278509950 893752944 /nfs/dbraw/zinc/75/29/44/893752944.db2.gz HQJJXNBLAYBQJO-VXGBXAGGSA-N 0 2 307.398 1.336 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1cccc(Cl)c1C ZINC001257644234 897899237 /nfs/dbraw/zinc/89/92/37/897899237.db2.gz GESIEJPPOQTICU-SNVBAGLBSA-N 0 2 316.766 1.382 20 30 DDEDLN Cn1cnc(C(=O)[C@H](C#N)C(=O)C2(c3ccccc3)CC2)cc1=O ZINC001263528745 900633421 /nfs/dbraw/zinc/63/34/21/900633421.db2.gz MWIHGIKTZAWQGD-ZDUSSCGKSA-N 0 2 321.336 1.404 20 30 DDEDLN O=C(C#CC1CC1)N[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001293880839 914748620 /nfs/dbraw/zinc/74/86/20/914748620.db2.gz YDCPBTPWFPWBTB-CMPLNLGQSA-N 0 2 320.286 1.407 20 30 DDEDLN O=C(C#CC1CC1)N[C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001293880839 914748638 /nfs/dbraw/zinc/74/86/38/914748638.db2.gz YDCPBTPWFPWBTB-CMPLNLGQSA-N 0 2 320.286 1.407 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001282733158 905990111 /nfs/dbraw/zinc/99/01/11/905990111.db2.gz BTAQSJUISGDQMV-SNVBAGLBSA-N 0 2 307.398 1.049 20 30 DDEDLN O=C(C#CC1CC1)N1CCC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001283461254 907389576 /nfs/dbraw/zinc/38/95/76/907389576.db2.gz ATJHDWCBFQYXPN-CMPLNLGQSA-N 0 2 320.286 1.407 20 30 DDEDLN O=C(C#CC1CC1)N1CCC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001283461254 907389594 /nfs/dbraw/zinc/38/95/94/907389594.db2.gz ATJHDWCBFQYXPN-CMPLNLGQSA-N 0 2 320.286 1.407 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001284913878 909723514 /nfs/dbraw/zinc/72/35/14/909723514.db2.gz SLHZHYURUKSSDY-KWQFWETISA-N 0 2 310.291 1.816 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N1CC(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001284913878 909723524 /nfs/dbraw/zinc/72/35/24/909723524.db2.gz SLHZHYURUKSSDY-KWQFWETISA-N 0 2 310.291 1.816 20 30 DDEDLN N#Cc1sc(N2CCC[C@H](c3nc(=O)[nH][nH]3)C2)nc1Cl ZINC000286614411 219084488 /nfs/dbraw/zinc/08/44/88/219084488.db2.gz YKPTVADHCYOLGQ-LURJTMIESA-N 0 2 310.770 1.464 20 30 DDEDLN C#CCn1ccc(CN(CC)C(=O)NCC(C)(C)OCC)n1 ZINC000279895443 215214756 /nfs/dbraw/zinc/21/47/56/215214756.db2.gz DKKIVGNLOJQEBL-UHFFFAOYSA-N 0 2 306.410 1.863 20 30 DDEDLN CCn1cc(S(=O)(=O)Nc2cc(C#N)ccc2OC)cn1 ZINC000066584258 353006345 /nfs/dbraw/zinc/00/63/45/353006345.db2.gz UYUDHORPSRTPNO-UHFFFAOYSA-N 0 2 306.347 1.584 20 30 DDEDLN N#CCc1cccc(S(=O)(=O)Nc2nc3n(n2)CCCC3)c1 ZINC000590745077 355160586 /nfs/dbraw/zinc/16/05/86/355160586.db2.gz SOKNKVRROLTFFA-UHFFFAOYSA-N 0 2 317.374 1.481 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N2CCC[C@@](C)(C#N)C2)c1 ZINC000591777867 355383687 /nfs/dbraw/zinc/38/36/87/355383687.db2.gz KUGVTQOZEWSIEK-KSFYIVLOSA-N 0 2 320.414 1.955 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1ncn(C(C)C)n1 ZINC000593285763 355845242 /nfs/dbraw/zinc/84/52/42/355845242.db2.gz UOHVXRUBMHZUHC-UHFFFAOYSA-N 0 2 321.362 1.540 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1cc(C)sc1C(=O)OC ZINC000594697096 356288194 /nfs/dbraw/zinc/28/81/94/356288194.db2.gz NXLZYYNWNWQZFT-MRVPVSSYSA-N 0 2 302.377 1.887 20 30 DDEDLN N#C[C@]1(NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)CCSC1 ZINC000597030056 357044663 /nfs/dbraw/zinc/04/46/63/357044663.db2.gz IELYSMATGCLXTG-CQSZACIVSA-N 0 2 316.342 1.159 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CO[C@@H](C3CC3)C2)cc1C#N ZINC000600518474 358247208 /nfs/dbraw/zinc/24/72/08/358247208.db2.gz GSVDDTMRMAXFPP-ZYHUDNBSSA-N 0 2 319.386 1.678 20 30 DDEDLN Cn1nncc1S(=O)(=O)Nc1ccccc1SCCC#N ZINC000600648223 358275431 /nfs/dbraw/zinc/27/54/31/358275431.db2.gz MDEGRHAGTXYHQS-UHFFFAOYSA-N 0 2 323.403 1.622 20 30 DDEDLN N#Cc1cccc(C2=NN([C@@H]3CCCS(=O)(=O)C3)C(=O)C2)c1 ZINC000601956449 358752229 /nfs/dbraw/zinc/75/22/29/358752229.db2.gz ZYAAULAQWVMUJV-CYBMUJFWSA-N 0 2 317.370 1.072 20 30 DDEDLN N#Cc1cccc(-c2cc(=O)n([C@@H]3CCCS(=O)(=O)C3)[nH]2)c1 ZINC000601956449 358752232 /nfs/dbraw/zinc/75/22/32/358752232.db2.gz ZYAAULAQWVMUJV-CYBMUJFWSA-N 0 2 317.370 1.072 20 30 DDEDLN C=CCOCCCNC(=O)C1=NN(c2ccccc2)CC1=O ZINC000618523905 363660269 /nfs/dbraw/zinc/66/02/69/363660269.db2.gz VFIIWGIYSWNICN-UHFFFAOYSA-N 0 2 301.346 1.900 20 30 DDEDLN COC[C@@H]1CCCN1C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000610638653 360488802 /nfs/dbraw/zinc/48/88/02/360488802.db2.gz SMGDQKXDRCJJIE-JTQLQIEISA-N 0 2 307.375 1.632 20 30 DDEDLN CCCc1nnc(NS(=O)(=O)c2ccc(C#N)nc2)s1 ZINC000267659187 206201433 /nfs/dbraw/zinc/20/14/33/206201433.db2.gz MIZWHIIQKHTTCZ-UHFFFAOYSA-N 0 2 309.376 1.558 20 30 DDEDLN N#Cc1c2c(cnc1N1CCC[C@H](c3n[nH]c(=O)[nH]3)C1)CCC2 ZINC000567720979 304237037 /nfs/dbraw/zinc/23/70/37/304237037.db2.gz WEJLETQCQHRFGI-NSHDSACASA-N 0 2 310.361 1.650 20 30 DDEDLN Cc1cc(NCCCc2n[nH]c(=O)[nH]2)c(C#N)cc1[N+](=O)[O-] ZINC000413162434 224147076 /nfs/dbraw/zinc/14/70/76/224147076.db2.gz CSGPFQSMKZABFD-UHFFFAOYSA-N 0 2 302.294 1.643 20 30 DDEDLN CN(C)C1=NC(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)S1 ZINC000077397481 406989011 /nfs/dbraw/zinc/98/90/11/406989011.db2.gz BKDWENMZKIDBMK-NSHDSACASA-N 0 2 302.359 1.446 20 30 DDEDLN CN(C)C1=NC(=O)C(CC(=O)Nc2ccc(C#N)cc2)S1 ZINC000077397481 406989014 /nfs/dbraw/zinc/98/90/14/406989014.db2.gz BKDWENMZKIDBMK-NSHDSACASA-N 0 2 302.359 1.446 20 30 DDEDLN Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)CC[C@H]1CCCO1 ZINC000048535422 407099166 /nfs/dbraw/zinc/09/91/66/407099166.db2.gz UQUJCGQURRLWSE-LLVKDONJSA-N 0 2 315.395 1.641 20 30 DDEDLN C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)CC1 ZINC000106259435 407358835 /nfs/dbraw/zinc/35/88/35/407358835.db2.gz DBDKLGFDWZHUQT-OAHLLOKOSA-N 0 2 324.469 1.047 20 30 DDEDLN COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000106905156 407365903 /nfs/dbraw/zinc/36/59/03/407365903.db2.gz KEHIZDHJSVMFJY-RYUDHWBXSA-N 0 2 307.313 1.904 20 30 DDEDLN Cc1cc(O)c(C(=O)C=Cc2cnn(CC(C)C)c2)c(=O)o1 ZINC000180694592 407912669 /nfs/dbraw/zinc/91/26/69/407912669.db2.gz ATLCQXKHIPTTCA-MBVDDHJVSA-N 0 2 302.330 1.767 20 30 DDEDLN N#Cc1nc(NC(=O)C(=O)c2ccc3c(c2)CCC3)[nH]c1C#N ZINC000195167454 163310431 /nfs/dbraw/zinc/31/04/31/163310431.db2.gz JCVPUWNHACGCNY-UHFFFAOYSA-N 0 2 305.297 1.463 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCO[C@H]3CCC[C@@H]32)cc1C#N ZINC000408251230 164275683 /nfs/dbraw/zinc/27/56/83/164275683.db2.gz XUPGWWSFCUHNLX-RYUDHWBXSA-N 0 2 319.386 1.774 20 30 DDEDLN COC[C@H]1CCCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000349778126 409910049 /nfs/dbraw/zinc/91/00/49/409910049.db2.gz PMCDSBJYDPKEPS-JTQLQIEISA-N 0 2 321.402 1.879 20 30 DDEDLN Cn1cc[nH+]c1[C@@H](NC(=O)N=c1[n-]ncs1)C1CCOCC1 ZINC000328941207 410015771 /nfs/dbraw/zinc/01/57/71/410015771.db2.gz HZBFHQBFEMTVPX-JTQLQIEISA-N 0 2 322.394 1.765 20 30 DDEDLN COC(=O)CC[N@H+]1CCN(c2nccc(C#N)c2Cl)[C@@H](C)C1 ZINC000342914376 409994484 /nfs/dbraw/zinc/99/44/84/409994484.db2.gz AOCKCSYJOCSDIQ-NSHDSACASA-N 0 2 322.796 1.680 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1cc(C)cnc1N ZINC000358562026 410482913 /nfs/dbraw/zinc/48/29/13/410482913.db2.gz BKQRTXIRYGGVGU-UHFFFAOYSA-N 0 2 318.358 1.653 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCO[C@@H](C)C2)cc1C#N ZINC000355390985 410489830 /nfs/dbraw/zinc/48/98/30/410489830.db2.gz HBJUPUCUGZXMPC-WPRPVWTQSA-N 0 2 307.375 1.678 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2ccc(F)cn2)cc1C#N ZINC000358959386 410540223 /nfs/dbraw/zinc/54/02/23/410540223.db2.gz XAEUNQBMDBSTBY-UHFFFAOYSA-N 0 2 318.333 1.845 20 30 DDEDLN CC(C)Cn1nccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000340033549 410631012 /nfs/dbraw/zinc/63/10/12/410631012.db2.gz RJMDSZHMLMPVRL-UHFFFAOYSA-N 0 2 305.363 1.607 20 30 DDEDLN N#Cc1cccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 ZINC000131603281 196183750 /nfs/dbraw/zinc/18/37/50/196183750.db2.gz KYYJWTSMFHNJSR-ZDUSSCGKSA-N 0 2 318.358 1.517 20 30 DDEDLN N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000424140562 228234109 /nfs/dbraw/zinc/23/41/09/228234109.db2.gz WHTQXDNHRROHRR-OAHLLOKOSA-N 0 2 315.421 1.709 20 30 DDEDLN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000427801350 419737510 /nfs/dbraw/zinc/73/75/10/419737510.db2.gz RZIBJHQJLGPROA-UHFFFAOYSA-N 0 2 323.353 1.845 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCOC[C@H]2C)cc1C#N ZINC000432555607 420246493 /nfs/dbraw/zinc/24/64/93/420246493.db2.gz HSROHWZZQMRFMJ-KCJUWKMLSA-N 0 2 307.375 1.536 20 30 DDEDLN Cc1nc2ccc(NS(=O)(=O)c3ccc(C#N)s3)cn2n1 ZINC000435907462 420293868 /nfs/dbraw/zinc/29/38/68/420293868.db2.gz PRWDTEQUYCQXOW-UHFFFAOYSA-N 0 2 319.371 1.772 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1ncc(C#N)s1 ZINC000610725190 422471582 /nfs/dbraw/zinc/47/15/82/422471582.db2.gz LQQYIOZBSJMKOA-UHFFFAOYSA-N 0 2 304.356 1.996 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+](C)C[C@H](C)C#N ZINC000737863087 599753979 /nfs/dbraw/zinc/75/39/79/599753979.db2.gz BBFPWOLZJRMTDM-YPMHNXCESA-N 0 2 322.361 1.225 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+](C)C[C@H](C)C#N ZINC000737863087 599753982 /nfs/dbraw/zinc/75/39/82/599753982.db2.gz BBFPWOLZJRMTDM-YPMHNXCESA-N 0 2 322.361 1.225 20 30 DDEDLN Clc1cc(-c2nn[nH]n2)cc(N=NCc2csnn2)n1 ZINC000826351037 608538160 /nfs/dbraw/zinc/53/81/60/608538160.db2.gz VKNDTEJOJRQGCD-UHFFFAOYSA-N 0 2 307.730 1.213 20 30 DDEDLN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000748420487 700117707 /nfs/dbraw/zinc/11/77/07/700117707.db2.gz ZVTNWTCXYHDYNN-UHFFFAOYSA-N 0 2 312.289 1.004 20 30 DDEDLN N#Cc1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000175685384 697397963 /nfs/dbraw/zinc/39/79/63/697397963.db2.gz STIDYKJUFHNMHQ-UHFFFAOYSA-N 0 2 319.298 1.973 20 30 DDEDLN CNC(=O)C(C#N)=C([O-])c1[nH+]c(-c2cccc(OC)c2)[nH]c1C ZINC000179798101 697441858 /nfs/dbraw/zinc/44/18/58/697441858.db2.gz ZNTVWJNUEAUEHR-GFCCVEGCSA-N 0 2 312.329 1.462 20 30 DDEDLN C=CCc1ccc(OCC(=O)OCc2n[nH]c(=O)[nH]2)c(OC)c1 ZINC000774875540 697936868 /nfs/dbraw/zinc/93/68/68/697936868.db2.gz KPUZOUGVZJSLFT-UHFFFAOYSA-N 0 2 319.317 1.370 20 30 DDEDLN CN(C)c1nccc(C/N=C/c2cc([N+](=O)[O-])ccc2O)n1 ZINC000775633968 698017050 /nfs/dbraw/zinc/01/70/50/698017050.db2.gz NGHBSZALBGECBA-OVCLIPMQSA-N 0 2 301.306 1.776 20 30 DDEDLN COCCO[C@@H]1COCC[C@H]1/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000776721909 698133078 /nfs/dbraw/zinc/13/30/78/698133078.db2.gz KLIQFCOHVUWAHX-VQLXRUTCSA-N 0 2 324.333 1.540 20 30 DDEDLN N#CC(C(=O)COCCNC(=O)c1ccccc1)c1ccccn1 ZINC000784834806 699041759 /nfs/dbraw/zinc/04/17/59/699041759.db2.gz TYRFILUBCYOLCY-HNNXBMFYSA-N 0 2 323.352 1.704 20 30 DDEDLN N#C[C@H](C(=O)COCCNC(=O)c1ccccc1)c1ccccn1 ZINC000784834806 699041762 /nfs/dbraw/zinc/04/17/62/699041762.db2.gz TYRFILUBCYOLCY-HNNXBMFYSA-N 0 2 323.352 1.704 20 30 DDEDLN Cn1cc[nH+]c1NN=Cc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000790305228 699453037 /nfs/dbraw/zinc/45/30/37/699453037.db2.gz GABJRIVNVZGEMG-UHFFFAOYSA-N 0 2 319.277 1.238 20 30 DDEDLN COc1nccnc1NN=C1C(=O)Nc2c1cc(C)cc2F ZINC000763413407 700937413 /nfs/dbraw/zinc/93/74/13/700937413.db2.gz SPSFUCFEIICDOO-UHFFFAOYSA-N 0 2 301.281 1.701 20 30 DDEDLN O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(F)C(F)(F)F ZINC000764510127 700974554 /nfs/dbraw/zinc/97/45/54/700974554.db2.gz VWBQMKXBJQRBCT-CRCLSJGQSA-N 0 2 310.169 1.166 20 30 DDEDLN O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@@H](F)C(F)(F)F ZINC000764510127 700974556 /nfs/dbraw/zinc/97/45/56/700974556.db2.gz VWBQMKXBJQRBCT-CRCLSJGQSA-N 0 2 310.169 1.166 20 30 DDEDLN Cn1ncc2c1[nH]c(NN=C1[C@@H]3CCCO[C@H]3C1(C)C)nc2=O ZINC000769815930 701257740 /nfs/dbraw/zinc/25/77/40/701257740.db2.gz ANUANPKILMMDAI-GZMMTYOYSA-N 0 2 316.365 1.672 20 30 DDEDLN Cn1ncc2c1nc(N=NC1[C@@H]3CCCO[C@H]3C1(C)C)[nH]c2=O ZINC000769815930 701257741 /nfs/dbraw/zinc/25/77/41/701257741.db2.gz ANUANPKILMMDAI-GZMMTYOYSA-N 0 2 316.365 1.672 20 30 DDEDLN Cc1noc(C)c1[C@H](C)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770863026 701298071 /nfs/dbraw/zinc/29/80/71/701298071.db2.gz PTJSKRGWXCBXPG-KWQFWETISA-N 0 2 300.318 1.720 20 30 DDEDLN N#Cc1cccc(N2CCN(C(=O)C(F)C(F)(F)F)CC2)n1 ZINC000811059596 701905084 /nfs/dbraw/zinc/90/50/84/701905084.db2.gz KCNIJLYVICYFRY-LLVKDONJSA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1cccc(N2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)n1 ZINC000811059596 701905088 /nfs/dbraw/zinc/90/50/88/701905088.db2.gz KCNIJLYVICYFRY-LLVKDONJSA-N 0 2 316.258 1.502 20 30 DDEDLN CC(C)(CC/N=C/c1cc([N+](=O)[O-])ccc1O)S(C)(=O)=O ZINC000840712236 702217771 /nfs/dbraw/zinc/21/77/71/702217771.db2.gz HJJQVZQOIYDHQY-NTEUORMPSA-N 0 2 314.363 1.933 20 30 DDEDLN N#Cc1c(Cl)nsc1N1CC(CNC(=O)C(F)(F)F)C1 ZINC000866296529 706668332 /nfs/dbraw/zinc/66/83/32/706668332.db2.gz TVMWHDAPFGKZKD-UHFFFAOYSA-N 0 2 324.715 1.783 20 30 DDEDLN CC(=O)c1cc(C#N)ccc1NS(=O)(=O)CCOCC1CC1 ZINC000818054810 702566437 /nfs/dbraw/zinc/56/64/37/702566437.db2.gz TWWIOEBSFHOJDS-UHFFFAOYSA-N 0 2 322.386 1.929 20 30 DDEDLN O=C1[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)CCN1C1CCC1 ZINC000864347624 706143677 /nfs/dbraw/zinc/14/36/77/706143677.db2.gz UZBLSGFRIWTXFD-WPBJZHHJSA-N 0 2 303.318 1.873 20 30 DDEDLN C#Cc1cccc(NC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000878116919 706298840 /nfs/dbraw/zinc/29/88/40/706298840.db2.gz SFZFJBRPMZLUJS-LBPRGKRZSA-N 0 2 311.345 1.903 20 30 DDEDLN C=C(C)C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(=O)[O-] ZINC000910285828 709866780 /nfs/dbraw/zinc/86/67/80/709866780.db2.gz DTZCDEDFONFGHS-CYBMUJFWSA-N 0 2 301.346 1.721 20 30 DDEDLN C=CCCOCC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC000913558987 713260202 /nfs/dbraw/zinc/26/02/02/713260202.db2.gz BUCBXOFWEDWSAD-CYBMUJFWSA-N 0 2 316.361 1.503 20 30 DDEDLN Cc1cc(C(=O)NCCc2n[nH]c(=S)o2)cc(C)c1C#N ZINC000907462925 712578209 /nfs/dbraw/zinc/57/82/09/712578209.db2.gz YPHLZAHHHDYGNC-UHFFFAOYSA-N 0 2 302.359 1.819 20 30 DDEDLN Cc1cc(/C=N/[S@@](=O)C(C)(C)C)cc(N[C@@H]2CO[N-]C2=O)[nH+]1 ZINC001167514268 734651519 /nfs/dbraw/zinc/65/15/19/734651519.db2.gz VVORMSAUWYNOGA-IROVEWASSA-N 0 2 324.406 1.113 20 30 DDEDLN N#Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)c2ncn[nH]2)cc1 ZINC001028211768 739165617 /nfs/dbraw/zinc/16/56/17/739165617.db2.gz VTFNTZBYKVNABD-AWEZNQCLSA-N 0 2 310.361 1.071 20 30 DDEDLN N#Cc1ccc(N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)nc1 ZINC001059097559 739932595 /nfs/dbraw/zinc/93/25/95/739932595.db2.gz HILFJQLTDPAAMZ-GXSJLCMTSA-N 0 2 316.258 1.866 20 30 DDEDLN N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)nc1 ZINC001059097559 739932599 /nfs/dbraw/zinc/93/25/99/739932599.db2.gz HILFJQLTDPAAMZ-GXSJLCMTSA-N 0 2 316.258 1.866 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCc3cn[nH]n3)C[C@@H]2C1 ZINC001088111927 741039343 /nfs/dbraw/zinc/03/93/43/741039343.db2.gz CTFORQVLVMDMKX-OLZOCXBDSA-N 0 2 323.828 1.270 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]nn3)C[C@@H]2C1 ZINC001088111927 741039345 /nfs/dbraw/zinc/03/93/45/741039345.db2.gz CTFORQVLVMDMKX-OLZOCXBDSA-N 0 2 323.828 1.270 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2F)CCC1=O ZINC001190376593 745206607 /nfs/dbraw/zinc/20/66/07/745206607.db2.gz WMAFKLOUBXGVLL-ZETCQYMHSA-N 0 2 318.276 1.207 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2ccc3c(c2)C(=O)NCCO3)c1O ZINC001193635014 746156460 /nfs/dbraw/zinc/15/64/60/746156460.db2.gz OVVMQFIJPXKLIY-UHFFFAOYSA-N 0 2 323.308 1.638 20 30 DDEDLN CCOC(=O)c1[nH]cnc1NC(=O)c1cccc(C#N)c1O ZINC001193634914 746156623 /nfs/dbraw/zinc/15/66/23/746156623.db2.gz LZWNDCQFYHFDFX-UHFFFAOYSA-N 0 2 300.274 1.416 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ccnc(CO)c2)c1 ZINC001193644658 746160829 /nfs/dbraw/zinc/16/08/29/746160829.db2.gz NHNZRHKOPLLELK-UHFFFAOYSA-N 0 2 319.342 1.255 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C#N)nc2)[nH]n1 ZINC001194279737 746316122 /nfs/dbraw/zinc/31/61/22/746316122.db2.gz YSDAECARSODWOP-UHFFFAOYSA-N 0 2 313.317 1.645 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C#N)nc2)n[nH]1 ZINC001194279737 746316129 /nfs/dbraw/zinc/31/61/29/746316129.db2.gz YSDAECARSODWOP-UHFFFAOYSA-N 0 2 313.317 1.645 20 30 DDEDLN CCOC(=O)CS(=O)(=O)Nc1cc(F)c(C#N)cc1C ZINC001195977014 746745271 /nfs/dbraw/zinc/74/52/71/746745271.db2.gz ROXZJVIVAYSSET-UHFFFAOYSA-N 0 2 300.311 1.311 20 30 DDEDLN N#Cc1cccnc1NC/C=C\CNC(=O)C(F)C(F)(F)F ZINC001107559567 750137187 /nfs/dbraw/zinc/13/71/87/750137187.db2.gz LDGJHANYUGLOKR-JWXWKVPASA-N 0 2 316.258 1.938 20 30 DDEDLN N#Cc1cccnc1NC/C=C\CNC(=O)[C@@H](F)C(F)(F)F ZINC001107559567 750137192 /nfs/dbraw/zinc/13/71/92/750137192.db2.gz LDGJHANYUGLOKR-JWXWKVPASA-N 0 2 316.258 1.938 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001019090248 759577301 /nfs/dbraw/zinc/57/73/01/759577301.db2.gz FLIGSGBBAPRBFG-IUCAKERBSA-N 0 2 321.274 1.107 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001019090248 759577306 /nfs/dbraw/zinc/57/73/06/759577306.db2.gz FLIGSGBBAPRBFG-IUCAKERBSA-N 0 2 321.274 1.107 20 30 DDEDLN COC(=O)n1ncc(C#N)c1Nc1ncc([N+](=O)[O-])cc1OC ZINC001169962159 762777367 /nfs/dbraw/zinc/77/73/67/762777367.db2.gz ZIIFOZCRQFYWSI-UHFFFAOYSA-N 0 2 318.249 1.425 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1nccnc1C#N ZINC001113934620 766425968 /nfs/dbraw/zinc/42/59/68/766425968.db2.gz OPPKKBXXUODFEX-APPZFPTMSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1nccnc1C#N ZINC001113934620 766425973 /nfs/dbraw/zinc/42/59/73/766425973.db2.gz OPPKKBXXUODFEX-APPZFPTMSA-N 0 2 319.262 1.190 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N(C)C[C@@H](C)C#N ZINC001121615196 782593739 /nfs/dbraw/zinc/59/37/39/782593739.db2.gz HADRDEVQTNMRPO-QMMMGPOBSA-N 0 2 306.761 1.498 20 30 DDEDLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001099742028 775209177 /nfs/dbraw/zinc/20/91/77/775209177.db2.gz GNYHTYFTELCCTD-CBAPKCEASA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNC(=O)[C@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001099742028 775209182 /nfs/dbraw/zinc/20/91/82/775209182.db2.gz GNYHTYFTELCCTD-CBAPKCEASA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001099742063 775211153 /nfs/dbraw/zinc/21/11/53/775211153.db2.gz GRIXAZHVKMXYAL-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNC(=O)[C@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001099742063 775211157 /nfs/dbraw/zinc/21/11/57/775211157.db2.gz GRIXAZHVKMXYAL-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN N#Cc1cnc(NCCCNC(=O)C(F)C(F)(F)F)c(F)c1 ZINC001094846725 776486459 /nfs/dbraw/zinc/48/64/59/776486459.db2.gz YRKGOAYJDPWJFM-SECBINFHSA-N 0 2 322.237 1.911 20 30 DDEDLN N#Cc1cnc(NCCCNC(=O)[C@@H](F)C(F)(F)F)c(F)c1 ZINC001094846725 776486471 /nfs/dbraw/zinc/48/64/71/776486471.db2.gz YRKGOAYJDPWJFM-SECBINFHSA-N 0 2 322.237 1.911 20 30 DDEDLN C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001267279065 837732576 /nfs/dbraw/zinc/73/25/76/837732576.db2.gz WPABVVDWQJOLNQ-LLVKDONJSA-N 0 2 307.398 1.193 20 30 DDEDLN C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001267279065 837732584 /nfs/dbraw/zinc/73/25/84/837732584.db2.gz WPABVVDWQJOLNQ-LLVKDONJSA-N 0 2 307.398 1.193 20 30 DDEDLN C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001034213559 848120394 /nfs/dbraw/zinc/12/03/94/848120394.db2.gz ZPNWZEAUDMYPCR-LSDHHAIUSA-N 0 2 302.422 1.986 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001034388963 848445867 /nfs/dbraw/zinc/44/58/67/848445867.db2.gz LCCGYYACSHMPMF-LBPRGKRZSA-N 0 2 319.409 1.337 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001034388963 848445869 /nfs/dbraw/zinc/44/58/69/848445869.db2.gz LCCGYYACSHMPMF-LBPRGKRZSA-N 0 2 319.409 1.337 20 30 DDEDLN CCc1nnc(NS(=O)(=O)c2cc(C#N)ccc2F)s1 ZINC001190608692 851138932 /nfs/dbraw/zinc/13/89/32/851138932.db2.gz YVHKMZDRHRYLNJ-UHFFFAOYSA-N 0 2 312.351 1.912 20 30 DDEDLN C#CCCCC(=O)N(C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001299343989 851813912 /nfs/dbraw/zinc/81/39/12/851813912.db2.gz XPDLDVJIOUHWCF-LLVKDONJSA-N 0 2 308.275 1.360 20 30 DDEDLN C#CCCCC(=O)N(C)C1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001299343989 851813922 /nfs/dbraw/zinc/81/39/22/851813922.db2.gz XPDLDVJIOUHWCF-LLVKDONJSA-N 0 2 308.275 1.360 20 30 DDEDLN Cc1ccc(C#N)cc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001412884535 855752873 /nfs/dbraw/zinc/75/28/73/855752873.db2.gz MKTKCFAVNAREFE-GFCCVEGCSA-N 0 2 311.345 1.710 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2nnn(C)c2C)cc1C#N ZINC001361404786 881584537 /nfs/dbraw/zinc/58/45/37/881584537.db2.gz KZXWAUXHOILDPX-UHFFFAOYSA-N 0 2 304.335 1.070 20 30 DDEDLN C=C(C)C[N@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CCOC ZINC001332914083 866249813 /nfs/dbraw/zinc/24/98/13/866249813.db2.gz OOWKQLLTNILTGW-HNNXBMFYSA-N 0 2 320.437 1.086 20 30 DDEDLN C=CCCC(=O)NC1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001333655424 866908444 /nfs/dbraw/zinc/90/84/44/866908444.db2.gz YBUNTVXULOAPPR-AMUVOQDHSA-N 0 2 310.291 1.864 20 30 DDEDLN C=CCCC(=O)NC1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001333655424 866908450 /nfs/dbraw/zinc/90/84/50/866908450.db2.gz YBUNTVXULOAPPR-AMUVOQDHSA-N 0 2 310.291 1.864 20 30 DDEDLN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001381527144 882079716 /nfs/dbraw/zinc/07/97/16/882079716.db2.gz ADUIRDYVKATTAQ-JBDRJPRFSA-N 0 2 309.263 1.057 20 30 DDEDLN C[C@@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001381527144 882079734 /nfs/dbraw/zinc/07/97/34/882079734.db2.gz ADUIRDYVKATTAQ-JBDRJPRFSA-N 0 2 309.263 1.057 20 30 DDEDLN C=C[C@H](CC)CC(=O)N[C@]1(C)CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001324642362 867424970 /nfs/dbraw/zinc/42/49/70/867424970.db2.gz TYQUBSMCNUQOFZ-IAQYHMDHSA-N 0 2 307.398 1.193 20 30 DDEDLN C=C[C@H](CC)CC(=O)N[C@]1(C)CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001324642362 867424976 /nfs/dbraw/zinc/42/49/76/867424976.db2.gz TYQUBSMCNUQOFZ-IAQYHMDHSA-N 0 2 307.398 1.193 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC[C@@H](OC)C1 ZINC001340593101 871215964 /nfs/dbraw/zinc/21/59/64/871215964.db2.gz HDZFUUYJTYFKJD-SECBINFHSA-N 0 2 323.788 1.518 20 30 DDEDLN N#CCN1CC[C@@H](Oc2ncnc3[nH]nc(Br)c32)C1 ZINC001226669806 882576911 /nfs/dbraw/zinc/57/69/11/882576911.db2.gz UOXDOEZXMPSSRA-SSDOTTSWSA-N 0 2 323.154 1.092 20 30 DDEDLN C#CCN(CC#C)c1nnc(-c2n[nH]c(Cl)n2)n1CC(C)C ZINC001343042535 872478914 /nfs/dbraw/zinc/47/89/14/872478914.db2.gz NPESSPYAIHIYKJ-UHFFFAOYSA-N 0 2 317.784 1.445 20 30 DDEDLN C#CCN(CC#CC)c1nnc(-c2c[nH]n(CC)c2=O)n1CC=C ZINC001355889217 878766754 /nfs/dbraw/zinc/76/67/54/878766754.db2.gz XVVASXDCGKQNEX-UHFFFAOYSA-N 0 2 324.388 1.516 20 30 DDEDLN C[C@H](CNC(=O)C#CC1CC1)CNC(=O)C(F)C(F)(F)F ZINC001357021956 879717594 /nfs/dbraw/zinc/71/75/94/879717594.db2.gz CVMOOMQRIGEGNH-LDYMZIIASA-N 0 2 308.275 1.169 20 30 DDEDLN C[C@H](CNC(=O)C#CC1CC1)CNC(=O)[C@@H](F)C(F)(F)F ZINC001357021956 879717608 /nfs/dbraw/zinc/71/76/08/879717608.db2.gz CVMOOMQRIGEGNH-LDYMZIIASA-N 0 2 308.275 1.169 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc2c(c1)CC(=O)N2 ZINC001362297074 883507248 /nfs/dbraw/zinc/50/72/48/883507248.db2.gz LVRUBHBRNQDPOD-UHFFFAOYSA-N 0 2 308.297 1.714 20 30 DDEDLN CSc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)cc1 ZINC001364168765 888065691 /nfs/dbraw/zinc/06/56/91/888065691.db2.gz KISRDPCSCGRSBG-UHFFFAOYSA-N 0 2 302.359 1.279 20 30 DDEDLN N#Cc1c[nH]c(=O)n(CSCc2ccc(Cl)cc2)c1=O ZINC001365262291 890457358 /nfs/dbraw/zinc/45/73/58/890457358.db2.gz ZPFHEKNFEXEBEJ-UHFFFAOYSA-N 0 2 307.762 1.953 20 30 DDEDLN COc1ncc(F)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC001258044838 898030202 /nfs/dbraw/zinc/03/02/02/898030202.db2.gz ADNDPGBSYYPQOT-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN COCCn1nc(C)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC001259118940 898475389 /nfs/dbraw/zinc/47/53/89/898475389.db2.gz YCSFMVTUFSSOPN-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN Cc1nc(C#N)cnc1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC001259350336 898621524 /nfs/dbraw/zinc/62/15/24/898621524.db2.gz HZBNDMFBFDAOFI-UHFFFAOYSA-N 0 2 316.342 1.392 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2ncc(C#N)nc2C)ccc1F ZINC001260755058 899252428 /nfs/dbraw/zinc/25/24/28/899252428.db2.gz JPKNZABLOPTPBM-UHFFFAOYSA-N 0 2 306.322 1.905 20 30 DDEDLN C=CCCCC(=O)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001282868264 906128393 /nfs/dbraw/zinc/12/83/93/906128393.db2.gz RQZVHVAUQQXFRE-NSHDSACASA-N 0 2 310.291 1.914 20 30 DDEDLN C=CCCCC(=O)N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001282868264 906128405 /nfs/dbraw/zinc/12/84/05/906128405.db2.gz RQZVHVAUQQXFRE-NSHDSACASA-N 0 2 310.291 1.914 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001372154738 906594721 /nfs/dbraw/zinc/59/47/21/906594721.db2.gz CKHUAXZLSCBWEV-WCBMZHEXSA-N 0 2 323.290 1.401 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001372154738 906594732 /nfs/dbraw/zinc/59/47/32/906594732.db2.gz CKHUAXZLSCBWEV-WCBMZHEXSA-N 0 2 323.290 1.401 20 30 DDEDLN CN(C(=O)C#CC1CC1)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001283384760 907268252 /nfs/dbraw/zinc/26/82/52/907268252.db2.gz MZDFFILUVBVECF-ZYHUDNBSSA-N 0 2 320.286 1.360 20 30 DDEDLN CN(C(=O)C#CC1CC1)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001283384760 907268266 /nfs/dbraw/zinc/26/82/66/907268266.db2.gz MZDFFILUVBVECF-ZYHUDNBSSA-N 0 2 320.286 1.360 20 30 DDEDLN C#CCCCC(=O)N1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001286018360 911577282 /nfs/dbraw/zinc/57/72/82/911577282.db2.gz ZITPETYMPXDLPL-NSHDSACASA-N 0 2 308.275 1.360 20 30 DDEDLN C#CCCCC(=O)N1CC(N(C)C(=O)[C@H](F)C(F)(F)F)C1 ZINC001286018360 911577309 /nfs/dbraw/zinc/57/73/09/911577309.db2.gz ZITPETYMPXDLPL-NSHDSACASA-N 0 2 308.275 1.360 20 30 DDEDLN CC[C@@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)[C@@H](O)C(C)C ZINC000412752110 529662519 /nfs/dbraw/zinc/66/25/19/529662519.db2.gz OAJSARJGGFZFGW-NEPJUHHUSA-N 0 2 323.418 1.906 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1 ZINC000589195121 354971364 /nfs/dbraw/zinc/97/13/64/354971364.db2.gz OZVGJLPUKKEOJA-UHFFFAOYSA-N 0 2 323.337 1.852 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)C[C@@H](OC)C(C)C ZINC000592351430 355565123 /nfs/dbraw/zinc/56/51/23/355565123.db2.gz UZOIJBUHRCEAJA-CQSZACIVSA-N 0 2 312.391 1.980 20 30 DDEDLN CO[C@@H](C)CS(=O)(=O)Nc1n[nH]c2cc(C#N)c(C)cc21 ZINC000593288198 355846178 /nfs/dbraw/zinc/84/61/78/355846178.db2.gz ZLDHVAMGKUWPNC-VIFPVBQESA-N 0 2 308.363 1.520 20 30 DDEDLN N#C[C@]1(F)CCN(C(=O)c2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000597545700 357219957 /nfs/dbraw/zinc/21/99/57/357219957.db2.gz AHIAETXIFPWEHI-CQSZACIVSA-N 0 2 302.265 1.108 20 30 DDEDLN C=CCCSCCNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000597967466 357403332 /nfs/dbraw/zinc/40/33/32/357403332.db2.gz XUSSXAFPZCKKFX-UHFFFAOYSA-N 0 2 305.407 1.849 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2[C@@H](C)O)cc1C#N ZINC000598235732 357503041 /nfs/dbraw/zinc/50/30/41/357503041.db2.gz GUXSGTGSSINCPT-LDYMZIIASA-N 0 2 307.375 1.366 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC3(C2)CCCO3)cc1C#N ZINC000600313533 358193472 /nfs/dbraw/zinc/19/34/72/358193472.db2.gz ADIZCNQKRSYLBY-UHFFFAOYSA-N 0 2 305.359 1.386 20 30 DDEDLN CC(C)(C#N)c1ccccc1C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000602861490 359246450 /nfs/dbraw/zinc/24/64/50/359246450.db2.gz APDKZPXTBGBJNS-UHFFFAOYSA-N 0 2 324.432 1.924 20 30 DDEDLN C[C@@H]1CN(Cc2nc(=O)c3sccc3[nH]2)C[C@H](C)N1CC#N ZINC000602866207 359250613 /nfs/dbraw/zinc/25/06/13/359250613.db2.gz VGYMVJYQWLVIAD-PHIMTYICSA-N 0 2 317.418 1.815 20 30 DDEDLN CN(C)C(=O)CCCNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000330816837 223146649 /nfs/dbraw/zinc/14/66/49/223146649.db2.gz OWWSTZUSPLCTKU-UHFFFAOYSA-N 0 2 313.427 1.452 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)NCc1ccccc1[N+](=O)[O-] ZINC000194620325 201264358 /nfs/dbraw/zinc/26/43/58/201264358.db2.gz QTIBWSACDWXAEB-UHFFFAOYSA-N 0 2 317.326 1.945 20 30 DDEDLN CCc1nnc(NS(=O)(=O)c2cccc(CC#N)c2)s1 ZINC000619569673 364063309 /nfs/dbraw/zinc/06/33/09/364063309.db2.gz RBEFUIHUSYXOSX-UHFFFAOYSA-N 0 2 308.388 1.967 20 30 DDEDLN Cc1nc(NS(=O)(=O)[C@H](C)C#N)ccc1Br ZINC000091507432 193066879 /nfs/dbraw/zinc/06/68/79/193066879.db2.gz DGBWESMPYVWCDL-ZCFIWIBFSA-N 0 2 304.169 1.806 20 30 DDEDLN COc1ccc2c(c1)OC[C@H]2CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000340566801 251116314 /nfs/dbraw/zinc/11/63/14/251116314.db2.gz QRENYCRURDLSLX-SECBINFHSA-N 0 2 323.312 1.666 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCO[C@@H]2C2CC2)cc1C#N ZINC000340785008 251209911 /nfs/dbraw/zinc/20/99/11/251209911.db2.gz ZTNRBUCBOFFCOM-NWDGAFQWSA-N 0 2 319.386 1.678 20 30 DDEDLN Cc1ccccc1-n1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cn1 ZINC000069965901 406796055 /nfs/dbraw/zinc/79/60/55/406796055.db2.gz BASNFNADPLGZGA-UHFFFAOYSA-N 0 2 317.312 1.899 20 30 DDEDLN N#CCCCOc1cccc(NS(=O)(=O)c2cn[nH]c2)c1 ZINC000037791308 406993296 /nfs/dbraw/zinc/99/32/96/406993296.db2.gz BBJCYWAZRBHAAZ-UHFFFAOYSA-N 0 2 306.347 1.893 20 30 DDEDLN C#CCN(CC#C)C(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000180834683 407924141 /nfs/dbraw/zinc/92/41/41/407924141.db2.gz NQHCUQKZERUWIZ-UHFFFAOYSA-N 0 2 309.325 1.295 20 30 DDEDLN COc1cc(NS(=O)(=O)c2cc(C#N)ccc2C)ncn1 ZINC000181332457 407982625 /nfs/dbraw/zinc/98/26/25/407982625.db2.gz JOJACURODGDHES-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN CC[C@]1(C)CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CCO1 ZINC000135328378 408004106 /nfs/dbraw/zinc/00/41/06/408004106.db2.gz PZLZDBJBEFYZSA-OAHLLOKOSA-N 0 2 321.402 1.610 20 30 DDEDLN C[C@@H]1CCC[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000408485685 164346418 /nfs/dbraw/zinc/34/64/18/164346418.db2.gz HRHBKCSQJKYGOE-ZYHUDNBSSA-N 0 2 307.375 1.584 20 30 DDEDLN N#Cc1cc(NCc2nnc(COc3ccccc3)[nH]2)ccn1 ZINC000342871163 409963800 /nfs/dbraw/zinc/96/38/00/409963800.db2.gz NJRHLNTXVOKTOY-UHFFFAOYSA-N 0 2 306.329 1.684 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)c1C#N ZINC000357235685 409947826 /nfs/dbraw/zinc/94/78/26/409947826.db2.gz BJERVRPMWKQCQW-ZETCQYMHSA-N 0 2 317.280 2.379 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)c2ccon2)cc1C#N ZINC000357953343 410331605 /nfs/dbraw/zinc/33/16/05/410331605.db2.gz ZTXJHYUAQHWHKE-ZETCQYMHSA-N 0 2 304.331 1.860 20 30 DDEDLN N#Cc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c(F)c1 ZINC000352015598 410417988 /nfs/dbraw/zinc/41/79/88/410417988.db2.gz ZZVJULXJBUCXNJ-ONEGZZNKSA-N 0 2 302.221 1.977 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@@H]2CCOC2)cc1C#N ZINC000337100005 410653760 /nfs/dbraw/zinc/65/37/60/410653760.db2.gz DDIGLOGKQMCCJK-DTWKUNHWSA-N 0 2 307.375 1.536 20 30 DDEDLN C=CCN(CCC#N)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000359428190 410654804 /nfs/dbraw/zinc/65/48/04/410654804.db2.gz NVLCRKSYSHKKBV-UHFFFAOYSA-N 0 2 302.359 1.923 20 30 DDEDLN COc1cccc(C(F)(F)CNS(=O)(=O)[C@H](C)C#N)n1 ZINC000416480896 224945838 /nfs/dbraw/zinc/94/58/38/224945838.db2.gz AZHDRFRDGZIVRO-MRVPVSSYSA-N 0 2 305.306 1.013 20 30 DDEDLN CC(C)(C)Cc1nnc(NS(=O)(=O)c2cncc(C#N)c2)o1 ZINC000291026147 222082195 /nfs/dbraw/zinc/08/21/95/222082195.db2.gz YFRMPJOBAWTMFX-UHFFFAOYSA-N 0 2 321.362 1.726 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)cc1C#N ZINC000440026021 420550823 /nfs/dbraw/zinc/55/08/23/420550823.db2.gz JTCJHFIWKXQLDR-MVWJERBFSA-N 0 2 319.386 1.678 20 30 DDEDLN N#Cc1ccc(C=CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000493285652 420808877 /nfs/dbraw/zinc/80/88/77/420808877.db2.gz AENUPNBYPUGYLJ-WBTMPAOCSA-N 0 2 323.356 1.801 20 30 DDEDLN CCn1nccc1S(=O)(=O)Nc1cc(C)nn1CCC#N ZINC000567811991 421615966 /nfs/dbraw/zinc/61/59/66/421615966.db2.gz YDGWEHIHGJWWCQ-UHFFFAOYSA-N 0 2 308.367 1.122 20 30 DDEDLN C=C[C@@](C)(O)CC(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000565374677 421597850 /nfs/dbraw/zinc/59/78/50/421597850.db2.gz VSIWYLPQMRQNIG-OAHLLOKOSA-N 0 2 302.334 1.751 20 30 DDEDLN C=C[C@](C)(CCOC)C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000572605707 421805494 /nfs/dbraw/zinc/80/54/94/421805494.db2.gz VPNOJXSXEGEJRH-XHDPSFHLSA-N 0 2 308.382 1.445 20 30 DDEDLN C=C(C)[C@@H](CC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1)OCC ZINC000575061422 422248454 /nfs/dbraw/zinc/24/84/54/422248454.db2.gz FMBMPIJQGVFDHW-GFCCVEGCSA-N 0 2 308.382 1.588 20 30 DDEDLN CCOc1ccc(S(=O)(=O)Nc2ncc(C#N)s2)cn1 ZINC000611615408 422478962 /nfs/dbraw/zinc/47/89/62/422478962.db2.gz DCTIINCXZGIZOV-UHFFFAOYSA-N 0 2 310.360 1.609 20 30 DDEDLN C=CC[N@@H+](CCOC)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000639608690 423602620 /nfs/dbraw/zinc/60/26/20/423602620.db2.gz MGFRVQGKKRRRBD-SFHVURJKSA-N 0 2 304.434 1.758 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H](CO)C(C)C)cc1C#N ZINC000345903755 272362013 /nfs/dbraw/zinc/36/20/13/272362013.db2.gz ZNHQDWJHJCBZTJ-SNVBAGLBSA-N 0 2 309.391 1.375 20 30 DDEDLN N#Cc1ccncc1N1CCN(c2cccc(C(=O)[O-])[nH+]2)CC1 ZINC000557075769 307863073 /nfs/dbraw/zinc/86/30/73/307863073.db2.gz YWPDURFQIPQWGT-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN C#CCN(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000191134142 340550432 /nfs/dbraw/zinc/55/04/32/340550432.db2.gz GKNCQMAJMWHESY-UHFFFAOYSA-N 0 2 301.371 1.410 20 30 DDEDLN CC(=O)N1CCC(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330613683 526530002 /nfs/dbraw/zinc/53/00/02/526530002.db2.gz SDZYHIMPCNCQMA-UHFFFAOYSA-N 0 2 321.333 1.864 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2c[nH]nc2C)n1 ZINC000347747958 528363497 /nfs/dbraw/zinc/36/34/97/528363497.db2.gz RMRQVUOJQWABPP-QMMMGPOBSA-N 0 2 304.331 1.841 20 30 DDEDLN N#Cc1cccnc1N1CC[NH+](Cc2cc(C(=O)[O-])co2)CC1 ZINC000739142235 599846232 /nfs/dbraw/zinc/84/62/32/599846232.db2.gz IHLPCQWFXWMMRG-UHFFFAOYSA-N 0 2 312.329 1.567 20 30 DDEDLN N#Cc1ccc([C@@H]([NH2+]CC(=O)NC2CCCC2)C(=O)[O-])cc1 ZINC000739104447 600596675 /nfs/dbraw/zinc/59/66/75/600596675.db2.gz AWMGJDGBHFXJBX-OAHLLOKOSA-N 0 2 301.346 1.332 20 30 DDEDLN C=CCN1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2O)C1=O ZINC000799026615 700110607 /nfs/dbraw/zinc/11/06/07/700110607.db2.gz NKCVHOZYKWPJHM-GFCCVEGCSA-N 0 2 308.765 1.905 20 30 DDEDLN C=CCN(C(=O)[C@H](F)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000764418984 700970077 /nfs/dbraw/zinc/97/00/77/700970077.db2.gz SFLWLBHADIBUSZ-SFYZADRCSA-N 0 2 303.277 1.089 20 30 DDEDLN CC(C)(CNN=Cc1ccc([N+](=O)[O-])c(O)c1)S(C)(=O)=O ZINC000774483978 697885190 /nfs/dbraw/zinc/88/51/90/697885190.db2.gz QSMKURUNXYGDAB-UHFFFAOYSA-N 0 2 315.351 1.047 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCC(=O)c2cccn21 ZINC000789453167 699387025 /nfs/dbraw/zinc/38/70/25/699387025.db2.gz MWYQPIHDUYMRRK-JQWIXIFHSA-N 0 2 310.313 1.331 20 30 DDEDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC[C@@](F)(C#N)C1 ZINC000790045188 699437379 /nfs/dbraw/zinc/43/73/79/699437379.db2.gz BEBSAYDVDSXNEF-GZMMTYOYSA-N 0 2 309.263 1.154 20 30 DDEDLN COCC#CCOC(=O)c1nn(-c2ccccc2F)cc1O ZINC000801379491 700301876 /nfs/dbraw/zinc/30/18/76/700301876.db2.gz FDCCEXKYULIZAC-UHFFFAOYSA-N 0 2 304.277 1.524 20 30 DDEDLN C#CCOCCNC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000753230084 700416244 /nfs/dbraw/zinc/41/62/44/700416244.db2.gz HCIQUOXVIYNWAD-UHFFFAOYSA-N 0 2 303.293 1.097 20 30 DDEDLN C=CCN(C(=O)C(F)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000764418984 700970070 /nfs/dbraw/zinc/97/00/70/700970070.db2.gz SFLWLBHADIBUSZ-SFYZADRCSA-N 0 2 303.277 1.089 20 30 DDEDLN C=CCOc1ccc(CNC(=O)C[C@@H]2SC(=N)NC2=O)cc1 ZINC000804140331 701166990 /nfs/dbraw/zinc/16/69/90/701166990.db2.gz FHRHVRCDMZUOBM-LBPRGKRZSA-N 0 2 319.386 1.424 20 30 DDEDLN C[C@@H]1CCCC[C@@H]1OCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770875607 701298752 /nfs/dbraw/zinc/29/87/52/701298752.db2.gz DDALNBQJVKHGKQ-DYEKYZERSA-N 0 2 303.362 1.907 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCc2ccccc2O1 ZINC000842322631 702703403 /nfs/dbraw/zinc/70/34/03/702703403.db2.gz BHZMVSNWMYAJAT-GXTWGEPZSA-N 0 2 309.325 1.705 20 30 DDEDLN CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(F)C(F)(F)F ZINC000846331596 703265629 /nfs/dbraw/zinc/26/56/29/703265629.db2.gz BXUYCNAVWRUGLO-MNOVXSKESA-N 0 2 304.243 1.950 20 30 DDEDLN CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H](F)C(F)(F)F ZINC000846331596 703265631 /nfs/dbraw/zinc/26/56/31/703265631.db2.gz BXUYCNAVWRUGLO-MNOVXSKESA-N 0 2 304.243 1.950 20 30 DDEDLN N#Cc1cccc(ONC(=O)c2ccnc(N3CCCC3)n2)c1 ZINC000870691308 704104769 /nfs/dbraw/zinc/10/47/69/704104769.db2.gz IJJSDYABMGWAHV-UHFFFAOYSA-N 0 2 309.329 1.672 20 30 DDEDLN C=C[C@@H](C)ONC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000862132849 705660921 /nfs/dbraw/zinc/66/09/21/705660921.db2.gz NTRSIHFIQROIOK-SSDOTTSWSA-N 0 2 306.240 1.694 20 30 DDEDLN CC(C)CCNC(=O)C[C@H]1S/C(=N/CC(F)F)NC1=O ZINC000887268715 709002710 /nfs/dbraw/zinc/00/27/10/709002710.db2.gz SNWNIKKMFWGUJQ-MRVPVSSYSA-N 0 2 307.366 1.392 20 30 DDEDLN COC[C@@H](C)NC(=S)NN=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000916280510 713449515 /nfs/dbraw/zinc/44/95/15/713449515.db2.gz ATJYPQKRLSOGRT-MRVPVSSYSA-N 0 2 312.351 1.133 20 30 DDEDLN CC(C)(C#N)C(=O)N1CCCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000923113910 714241048 /nfs/dbraw/zinc/24/10/48/714241048.db2.gz XAMRDHZOHYDOQK-UHFFFAOYSA-N 0 2 316.361 1.368 20 30 DDEDLN C#CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000968540004 719654752 /nfs/dbraw/zinc/65/47/52/719654752.db2.gz SAWRYAWKRHWVDP-ZYHUDNBSSA-N 0 2 314.345 1.002 20 30 DDEDLN C#CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000968540004 719654755 /nfs/dbraw/zinc/65/47/55/719654755.db2.gz SAWRYAWKRHWVDP-ZYHUDNBSSA-N 0 2 314.345 1.002 20 30 DDEDLN C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644152 733397831 /nfs/dbraw/zinc/39/78/31/733397831.db2.gz DWLUDCQGAIMTAE-CVEARBPZSA-N 0 2 300.406 1.219 20 30 DDEDLN N#Cc1cc(NC(=[NH2+])SCCS(=O)(=O)[O-])cnc1F ZINC001168092953 741431393 /nfs/dbraw/zinc/43/13/93/741431393.db2.gz IVNSNJISHSOWNV-UHFFFAOYSA-N 0 2 304.328 1.060 20 30 DDEDLN N#CCc1cncc(NC(=[NH2+])SCCS(=O)(=O)[O-])c1 ZINC001168094356 741435159 /nfs/dbraw/zinc/43/51/59/741435159.db2.gz XCRSUTPKOVVXOV-UHFFFAOYSA-N 0 2 300.365 1.115 20 30 DDEDLN CN(CCN(C)c1ccncc1C#N)C(=O)C(F)C(F)(F)F ZINC001105589001 742131617 /nfs/dbraw/zinc/13/16/17/742131617.db2.gz FSAFXTPQDPJFNI-NSHDSACASA-N 0 2 318.274 1.748 20 30 DDEDLN CN(CCN(C)c1ccncc1C#N)C(=O)[C@H](F)C(F)(F)F ZINC001105589001 742131620 /nfs/dbraw/zinc/13/16/20/742131620.db2.gz FSAFXTPQDPJFNI-NSHDSACASA-N 0 2 318.274 1.748 20 30 DDEDLN CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001076856837 743052809 /nfs/dbraw/zinc/05/28/09/743052809.db2.gz FKVLRMBJOSPHRR-GXSJLCMTSA-N 0 2 310.291 1.557 20 30 DDEDLN CC(C)C#CC(=O)N[C@@H](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001076856837 743052817 /nfs/dbraw/zinc/05/28/17/743052817.db2.gz FKVLRMBJOSPHRR-GXSJLCMTSA-N 0 2 310.291 1.557 20 30 DDEDLN CSc1ncc(O)c(C(=O)N(O)C(=N)c2ccccc2N)n1 ZINC001185185791 744173725 /nfs/dbraw/zinc/17/37/25/744173725.db2.gz HJNPMOFQDSWKSG-UHFFFAOYSA-N 0 2 319.346 1.343 20 30 DDEDLN C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H]1C ZINC001088862488 744253040 /nfs/dbraw/zinc/25/30/40/744253040.db2.gz BJONMDBNJFUPFK-HIFRSBDPSA-N 0 2 318.421 1.649 20 30 DDEDLN N#Cc1cncc(NC2(CNC(=O)C(F)C(F)(F)F)CC2)n1 ZINC001110375383 744340909 /nfs/dbraw/zinc/34/09/09/744340909.db2.gz GVHZAMZFKZAQSQ-VIFPVBQESA-N 0 2 317.246 1.309 20 30 DDEDLN N#Cc1cncc(NC2(CNC(=O)[C@H](F)C(F)(F)F)CC2)n1 ZINC001110375383 744340913 /nfs/dbraw/zinc/34/09/13/744340913.db2.gz GVHZAMZFKZAQSQ-VIFPVBQESA-N 0 2 317.246 1.309 20 30 DDEDLN N#Cc1nccnc1NC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001110375740 744344148 /nfs/dbraw/zinc/34/41/48/744344148.db2.gz SXBZJFNWCQZCGD-QMMMGPOBSA-N 0 2 317.246 1.309 20 30 DDEDLN N#Cc1nccnc1NC1(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001110375740 744344151 /nfs/dbraw/zinc/34/41/51/744344151.db2.gz SXBZJFNWCQZCGD-QMMMGPOBSA-N 0 2 317.246 1.309 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc([N+](=O)[O-])cc1 ZINC001187576224 744583657 /nfs/dbraw/zinc/58/36/57/744583657.db2.gz PLMJTCAMOSJOPA-MRVPVSSYSA-N 0 2 315.289 1.027 20 30 DDEDLN CCS(=O)(=O)c1ccc(NS(=O)(=O)[C@@H](C)C#N)cc1 ZINC001193140243 745994417 /nfs/dbraw/zinc/99/44/17/745994417.db2.gz WAAQBQVKFHLAOD-VIFPVBQESA-N 0 2 302.377 1.134 20 30 DDEDLN COc1cnc(Cl)c(NC(=O)c2cccc(C#N)c2O)n1 ZINC001193642829 746160190 /nfs/dbraw/zinc/16/01/90/746160190.db2.gz QWHBIVUIDLFSRE-UHFFFAOYSA-N 0 2 304.693 1.968 20 30 DDEDLN COc1ncccc1S(=O)(=O)Nc1ccc(C#N)c(F)c1 ZINC001194711995 746447501 /nfs/dbraw/zinc/44/75/01/746447501.db2.gz UNQXDRALKXYYOA-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN C=CCN1CCn2ncc(CNC(=O)C(F)C(F)(F)F)c2C1 ZINC001128356220 746900085 /nfs/dbraw/zinc/90/00/85/746900085.db2.gz USXMCRKYUKYTTF-LLVKDONJSA-N 0 2 320.290 1.401 20 30 DDEDLN C=CCN1CCn2ncc(CNC(=O)[C@@H](F)C(F)(F)F)c2C1 ZINC001128356220 746900090 /nfs/dbraw/zinc/90/00/90/746900090.db2.gz USXMCRKYUKYTTF-LLVKDONJSA-N 0 2 320.290 1.401 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccc2occc2c1 ZINC001198881148 747644423 /nfs/dbraw/zinc/64/44/23/747644423.db2.gz OKUNTGQFVYHKST-NSHDSACASA-N 0 2 308.315 1.166 20 30 DDEDLN CC#CCN1CCO[C@@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001107955903 750900275 /nfs/dbraw/zinc/90/02/75/750900275.db2.gz CIXGQOCVQHSQKT-JQWIXIFHSA-N 0 2 310.291 1.117 20 30 DDEDLN C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109825063 764095610 /nfs/dbraw/zinc/09/56/10/764095610.db2.gz UTSODWONVRRDNL-UKMLZYKCSA-N 0 2 302.422 1.886 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001098327622 764303412 /nfs/dbraw/zinc/30/34/12/764303412.db2.gz MFHCBTRNTLOJMS-XVKPBYJWSA-N 0 2 304.247 1.192 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001098327622 764303420 /nfs/dbraw/zinc/30/34/20/764303420.db2.gz MFHCBTRNTLOJMS-XVKPBYJWSA-N 0 2 304.247 1.192 20 30 DDEDLN N#CCN1CC(OC2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001093537520 774801131 /nfs/dbraw/zinc/80/11/31/774801131.db2.gz YGUFKGDDFSPHEV-LLVKDONJSA-N 0 2 323.290 1.102 20 30 DDEDLN N#CCN1CC(OC2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001093537520 774801138 /nfs/dbraw/zinc/80/11/38/774801138.db2.gz YGUFKGDDFSPHEV-LLVKDONJSA-N 0 2 323.290 1.102 20 30 DDEDLN C#CCN1CC[C@]2(CCCN2C(=O)C=C(O)c2ccccc2)C1=O ZINC001271010174 843130968 /nfs/dbraw/zinc/13/09/68/843130968.db2.gz ZQTAIXSXVMTFIF-LJQANCHMSA-N 0 2 324.380 1.486 20 30 DDEDLN CC#C[C@@H](CC)Oc1nc(I)cc(=O)[nH]1 ZINC001228948990 883743163 /nfs/dbraw/zinc/74/31/63/883743163.db2.gz FWXRUGZOLCQUHM-SSDOTTSWSA-N 0 2 318.114 1.968 20 30 DDEDLN C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@H](OC)C1 ZINC001341867953 871866565 /nfs/dbraw/zinc/86/65/65/871866565.db2.gz HEXDZNKETSFDEG-VIFPVBQESA-N 0 2 323.788 1.518 20 30 DDEDLN C#CCN(CC)c1nnc(-c2n[nH]c(Cl)n2)n1CC(=C)C ZINC001343418373 872618223 /nfs/dbraw/zinc/61/82/23/872618223.db2.gz DHXULEMVFYECFO-UHFFFAOYSA-N 0 2 305.773 1.752 20 30 DDEDLN C=CC[C@@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)C(=O)[O-] ZINC001354042036 877706485 /nfs/dbraw/zinc/70/64/85/877706485.db2.gz WFPOHQOHZBMKRM-CYBMUJFWSA-N 0 2 316.361 1.514 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]21 ZINC001221760539 880066771 /nfs/dbraw/zinc/06/67/71/880066771.db2.gz IWJMQLPCNQNHCC-YNEHKIRRSA-N 0 2 319.409 1.145 20 30 DDEDLN C[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C2(CCC2)CO1 ZINC001414013589 881013821 /nfs/dbraw/zinc/01/38/21/881013821.db2.gz WDGJDGHUDFLVGO-LLVKDONJSA-N 0 2 313.361 1.450 20 30 DDEDLN C[C@@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C2(CCC2)CO1 ZINC001414013589 881013841 /nfs/dbraw/zinc/01/38/41/881013841.db2.gz WDGJDGHUDFLVGO-LLVKDONJSA-N 0 2 313.361 1.450 20 30 DDEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)NCc1ccnc(C#N)c1 ZINC001362825733 884732493 /nfs/dbraw/zinc/73/24/93/884732493.db2.gz PIPOMLUHOYJZML-UHFFFAOYSA-N 0 2 314.267 1.027 20 30 DDEDLN Cc1ccc(C[C@@H](C)N(C)c2[nH]c(=O)n(C)c(=O)c2C#N)cc1 ZINC001364144146 888020006 /nfs/dbraw/zinc/02/00/06/888020006.db2.gz FTEMHCUNBZSEPH-GFCCVEGCSA-N 0 2 312.373 1.321 20 30 DDEDLN Cn1c(=O)[nH]c(NCc2ccc(C(C)(C)C)o2)c(C#N)c1=O ZINC001364223855 888173419 /nfs/dbraw/zinc/17/34/19/888173419.db2.gz MCKWXSGGYORIPL-UHFFFAOYSA-N 0 2 302.334 1.448 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(Cl)s1 ZINC001365225466 890390898 /nfs/dbraw/zinc/39/08/98/890390898.db2.gz OSLXATXPIPXPJV-ZCFIWIBFSA-N 0 2 310.766 1.833 20 30 DDEDLN CC(C)(CC#N)CNC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001365643517 891238918 /nfs/dbraw/zinc/23/89/18/891238918.db2.gz KPVHMELKJIVBDE-JTQLQIEISA-N 0 2 306.370 1.339 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)cc2)CCC1=O ZINC001259238336 898541339 /nfs/dbraw/zinc/54/13/39/898541339.db2.gz KJKZFDCHVQTKLZ-LLVKDONJSA-N 0 2 312.778 1.584 20 30 DDEDLN C#Cc1cc(NS(=O)(=O)c2c(F)cc(F)cc2F)ccn1 ZINC001260347973 899122959 /nfs/dbraw/zinc/12/29/59/899122959.db2.gz IILIFNONOIRCNO-UHFFFAOYSA-N 0 2 312.272 1.703 20 30 DDEDLN C=CCCC(=O)NC[C@H](NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001294867217 915417121 /nfs/dbraw/zinc/41/71/21/915417121.db2.gz YSXNOMGSLFYVOE-GXSJLCMTSA-N 0 2 310.291 1.864 20 30 DDEDLN C=CCCC(=O)NC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001294867217 915417136 /nfs/dbraw/zinc/41/71/36/915417136.db2.gz YSXNOMGSLFYVOE-GXSJLCMTSA-N 0 2 310.291 1.864 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1(NC(=O)C(F)C(F)(F)F)CCCC1 ZINC001375296439 915509657 /nfs/dbraw/zinc/50/96/57/915509657.db2.gz UAUVTQLRIXJWGM-BDAKNGLRSA-N 0 2 323.290 1.592 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1(NC(=O)[C@H](F)C(F)(F)F)CCCC1 ZINC001375296439 915509672 /nfs/dbraw/zinc/50/96/72/915509672.db2.gz UAUVTQLRIXJWGM-BDAKNGLRSA-N 0 2 323.290 1.592 20 30 DDEDLN Cc1ccnn1-c1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000026270669 352207201 /nfs/dbraw/zinc/20/72/01/352207201.db2.gz DZUUOIKVRYHXRX-UHFFFAOYSA-N 0 2 317.312 1.899 20 30 DDEDLN C=CCn1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1cccs1 ZINC000091588408 353830734 /nfs/dbraw/zinc/83/07/34/353830734.db2.gz XPMDJIDNQOFSAS-UHFFFAOYSA-N 0 2 320.403 1.896 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC3(C2)CCCOC3)cc1C#N ZINC000588797937 354937283 /nfs/dbraw/zinc/93/72/83/354937283.db2.gz DWYQXGJVBOVBLZ-UHFFFAOYSA-N 0 2 319.386 1.633 20 30 DDEDLN Cc1nc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)no1 ZINC000593275675 355842936 /nfs/dbraw/zinc/84/29/36/355842936.db2.gz JEYYZPNLLNKLJG-UHFFFAOYSA-N 0 2 306.347 1.980 20 30 DDEDLN Cn1nc2c(c1NS(=O)(=O)c1ccc(C#N)cc1)CCCC2 ZINC000601967345 358757625 /nfs/dbraw/zinc/75/76/25/358757625.db2.gz HPJZZSCSZIMADA-UHFFFAOYSA-N 0 2 316.386 1.971 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2c[nH]ccc2=O)cc1C#N ZINC000603889708 359696025 /nfs/dbraw/zinc/69/60/25/359696025.db2.gz JLSIDHGATJJCME-UHFFFAOYSA-N 0 2 302.315 1.321 20 30 DDEDLN CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000610726853 360518416 /nfs/dbraw/zinc/51/84/16/360518416.db2.gz RUQPSCUREWYOSX-CHWSQXEVSA-N 0 2 304.394 1.990 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)C[C@@H](O)C2CC2)cc1C#N ZINC000611169708 360644140 /nfs/dbraw/zinc/64/41/40/360644140.db2.gz RDUUBAFECAPYEB-LLVKDONJSA-N 0 2 307.375 1.224 20 30 DDEDLN C=CC[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000625702817 367099349 /nfs/dbraw/zinc/09/93/49/367099349.db2.gz HIQUNEPZDLVZFR-INIZCTEOSA-N 0 2 317.433 1.822 20 30 DDEDLN CC(C)[C@@H]1C[C@H](CC(=O)Nc2nc(C#N)c(C#N)[nH]2)CCO1 ZINC000272916941 210303450 /nfs/dbraw/zinc/30/34/50/210303450.db2.gz SLDXQOZUGLIYBM-MFKMUULPSA-N 0 2 301.350 1.933 20 30 DDEDLN CCCCN(C)S(=O)(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000123231079 407323218 /nfs/dbraw/zinc/32/32/18/407323218.db2.gz YDDOYXUKHRZOLG-UHFFFAOYSA-N 0 2 313.427 1.898 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCS[C@@H](C)[C@@H]2C)cc1C#N ZINC000118530243 407921331 /nfs/dbraw/zinc/92/13/31/407921331.db2.gz JJJXUMGOZNNNPN-IUCAKERBSA-N 0 2 323.443 1.934 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C#N)C(C)C)=N2)cc1 ZINC000272447574 407924902 /nfs/dbraw/zinc/92/49/02/407924902.db2.gz NCYSMOQCYJEUCR-ZDUSSCGKSA-N 0 2 314.345 1.864 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@]2(C)CO)cc1C#N ZINC000162162129 408676707 /nfs/dbraw/zinc/67/67/07/408676707.db2.gz HURFFQOTTRWOLL-IAQYHMDHSA-N 0 2 321.402 1.249 20 30 DDEDLN Cc1cnn(C)c1S(=O)(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000285272769 409406314 /nfs/dbraw/zinc/40/63/14/409406314.db2.gz YMCFJNASLGGLEO-NSHDSACASA-N 0 2 320.374 1.820 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2[C@H](C)COC[C@@H]2C)cc1C#N ZINC000408136276 164238498 /nfs/dbraw/zinc/23/84/98/164238498.db2.gz CLUDZANVKJFLGT-DTORHVGOSA-N 0 2 307.375 1.630 20 30 DDEDLN C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000290719071 409497419 /nfs/dbraw/zinc/49/74/19/409497419.db2.gz UVDLUNPYQHHTHX-SNVBAGLBSA-N 0 2 317.374 1.922 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cn(C)c(=O)c3ccccc23)c1C#N ZINC000357246993 409952292 /nfs/dbraw/zinc/95/22/92/409952292.db2.gz AMTQXFPYWOBWMU-UHFFFAOYSA-N 0 2 307.313 1.694 20 30 DDEDLN N#Cc1csc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)c1 ZINC000329194771 410157840 /nfs/dbraw/zinc/15/78/40/410157840.db2.gz TWMOZKPCFMCVLP-SECBINFHSA-N 0 2 303.347 1.811 20 30 DDEDLN C=CCOc1ccc(CNC(=O)CSc2n[nH]c(=O)[nH]2)cc1 ZINC000359096113 410555252 /nfs/dbraw/zinc/55/52/52/410555252.db2.gz SZOAKVQCOWQRIG-UHFFFAOYSA-N 0 2 320.374 1.484 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc3cc(Cl)ccn3n2)[nH]c1C#N ZINC000352609150 410671614 /nfs/dbraw/zinc/67/16/14/410671614.db2.gz FBCXDLQNUKKXIA-UHFFFAOYSA-N 0 2 311.692 1.706 20 30 DDEDLN CCOc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cn1 ZINC000352859382 410682089 /nfs/dbraw/zinc/68/20/89/410682089.db2.gz RKTKDFWDBDGDFA-UHFFFAOYSA-N 0 2 304.331 1.548 20 30 DDEDLN CC(C)(C(=O)NCc1n[nH]c(=O)[nH]1)c1cc(F)cc(C#N)c1 ZINC000353645547 411096852 /nfs/dbraw/zinc/09/68/52/411096852.db2.gz HDXVPSIJULNTMJ-UHFFFAOYSA-N 0 2 303.297 1.115 20 30 DDEDLN C[C@@H]1CC(=[NH+]C([O-])=C2CCN(c3cccc(Cl)c3)C2=O)NO1 ZINC000361205154 418604479 /nfs/dbraw/zinc/60/44/79/418604479.db2.gz QIOZYQCKOQYRNZ-BXKDBHETSA-N 0 2 321.764 1.931 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(C3CC3)o2)cc1F ZINC000427783247 419734247 /nfs/dbraw/zinc/73/42/47/419734247.db2.gz UQGMZXJMYWQXOE-UHFFFAOYSA-N 0 2 308.294 1.759 20 30 DDEDLN COCCn1cc(S(=O)(=O)Nc2cccc(C#N)c2)cn1 ZINC000439047357 420477443 /nfs/dbraw/zinc/47/74/43/420477443.db2.gz NFUDKAIKARENRM-UHFFFAOYSA-N 0 2 306.347 1.202 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000547414857 421329588 /nfs/dbraw/zinc/32/95/88/421329588.db2.gz RARWARGHTRLYTQ-LBPRGKRZSA-N 0 2 310.375 1.878 20 30 DDEDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cc(C#N)cn1C ZINC000552029314 421569953 /nfs/dbraw/zinc/56/99/53/421569953.db2.gz GTPDVAQXWFZNEK-UHFFFAOYSA-N 0 2 322.328 1.948 20 30 DDEDLN C=CC[C@H](CO)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632207904 422165016 /nfs/dbraw/zinc/16/50/16/422165016.db2.gz PTSLAHJNROPFIF-MRVPVSSYSA-N 0 2 306.771 1.421 20 30 DDEDLN COCc1cccc(S(=O)(=O)Nc2ncc(C#N)s2)c1 ZINC000610725326 422472504 /nfs/dbraw/zinc/47/25/04/422472504.db2.gz WHFVVXAPUGEHEX-UHFFFAOYSA-N 0 2 309.372 1.962 20 30 DDEDLN C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365239862 267053596 /nfs/dbraw/zinc/05/35/96/267053596.db2.gz GBECVJGQAHEOAX-CRAIPNDOSA-N 0 2 315.465 1.355 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccnc2ncnn21 ZINC000347332640 267312453 /nfs/dbraw/zinc/31/24/53/267312453.db2.gz OOUSUKCBCBZRHH-UHFFFAOYSA-N 0 2 314.330 1.105 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)o1 ZINC000342441386 268209654 /nfs/dbraw/zinc/20/96/54/268209654.db2.gz FEDVGEVDEOIAOK-UHFFFAOYSA-N 0 2 315.314 1.533 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCC[C@@H]2O)cc1C#N ZINC000128138645 281300240 /nfs/dbraw/zinc/30/02/40/281300240.db2.gz JWKJSUGIWHSKFT-QWRGUYRKSA-N 0 2 307.375 1.002 20 30 DDEDLN N#Cc1nc(NC(=O)[C@@H]2CCN(c3ccccc3)C2)[nH]c1C#N ZINC000578427124 308460514 /nfs/dbraw/zinc/46/05/14/308460514.db2.gz BRPRQGGUGSEBCU-LLVKDONJSA-N 0 2 306.329 1.618 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000390355213 333271258 /nfs/dbraw/zinc/27/12/58/333271258.db2.gz FNJCYFAQUGGCMN-CQSZACIVSA-N 0 2 304.375 1.975 20 30 DDEDLN C=C(C)[C@H](CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1)OCC ZINC000412324936 526807050 /nfs/dbraw/zinc/80/70/50/526807050.db2.gz RJGBQXBTRRIIDL-NEPJUHHUSA-N 0 2 308.382 1.588 20 30 DDEDLN CC(C)(CC#N)CNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000412413539 526956361 /nfs/dbraw/zinc/95/63/61/526956361.db2.gz DUYVDPCMJNCISC-UHFFFAOYSA-N 0 2 300.318 1.700 20 30 DDEDLN Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C(=O)[O-])cc1C ZINC000818898933 597493317 /nfs/dbraw/zinc/49/33/17/597493317.db2.gz VXQHMVHYSJTGMA-AWEZNQCLSA-N 0 2 317.389 1.955 20 30 DDEDLN Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C(=O)[O-])cc1C ZINC000818898933 597493319 /nfs/dbraw/zinc/49/33/19/597493319.db2.gz VXQHMVHYSJTGMA-AWEZNQCLSA-N 0 2 317.389 1.955 20 30 DDEDLN Cc1oc(C(=O)[O-])cc1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000738962648 600147022 /nfs/dbraw/zinc/14/70/22/600147022.db2.gz DBNHZBFRHRNKGC-CQSZACIVSA-N 0 2 305.378 1.952 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])C[C@H]1[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000833966531 605683416 /nfs/dbraw/zinc/68/34/16/605683416.db2.gz LRYNFYWDSCCXEX-OASPWFOLSA-N 0 2 311.288 1.090 20 30 DDEDLN N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](NC(=O)[O-])C3)o2)c1 ZINC000831146183 605933230 /nfs/dbraw/zinc/93/32/30/605933230.db2.gz KHQVHWPQHVBMJB-LBPRGKRZSA-N 0 2 313.317 1.450 20 30 DDEDLN N#Cc1cccc(-c2nnc(C[N@@H+]3CC[C@H](NC(=O)[O-])C3)o2)c1 ZINC000831146183 605933234 /nfs/dbraw/zinc/93/32/34/605933234.db2.gz KHQVHWPQHVBMJB-LBPRGKRZSA-N 0 2 313.317 1.450 20 30 DDEDLN CC#CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977390166 696141035 /nfs/dbraw/zinc/14/10/35/696141035.db2.gz QCLMMERYRAELFX-INIZCTEOSA-N 0 2 305.466 1.568 20 30 DDEDLN Oc1c(F)cc(Cl)cc1C=NNCCC[NH+]1CCOCC1 ZINC000799487194 700144624 /nfs/dbraw/zinc/14/46/24/700144624.db2.gz FWABTKDOZNRDCT-UHFFFAOYSA-N 0 2 315.776 1.831 20 30 DDEDLN [O-]c1c(F)cc(Cl)cc1C=NNCCC[NH+]1CCOCC1 ZINC000799487194 700144625 /nfs/dbraw/zinc/14/46/25/700144625.db2.gz FWABTKDOZNRDCT-UHFFFAOYSA-N 0 2 315.776 1.831 20 30 DDEDLN C[C@@H](C#N)Oc1ccccc1NC(=O)CC1SC(=N)NC1=O ZINC000781034120 698584715 /nfs/dbraw/zinc/58/47/15/698584715.db2.gz HIEYLGRGUHIRQY-GZMMTYOYSA-N 0 2 318.358 1.472 20 30 DDEDLN C#CCCCS(=O)(=O)Nc1nc(CCC(=O)OC)cs1 ZINC000840945766 702289568 /nfs/dbraw/zinc/28/95/68/702289568.db2.gz WYAVKTXYCKVTQF-UHFFFAOYSA-N 0 2 316.404 1.404 20 30 DDEDLN C=CCC1(S(=O)(=O)[N-]C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000845571596 703176417 /nfs/dbraw/zinc/17/64/17/703176417.db2.gz GECCDQOZAMHIKR-UHFFFAOYSA-N 0 2 323.418 1.317 20 30 DDEDLN Cc1cc(C)n(N=CC(C)(C)CCC#N)c(=O)c1-c1nn[nH]n1 ZINC000826264931 705786406 /nfs/dbraw/zinc/78/64/06/705786406.db2.gz GEELFWUIDGFRCN-UHFFFAOYSA-N 0 2 313.365 1.809 20 30 DDEDLN C[C@@H]1C[C@@H]1/N=C1/NC(=O)[C@@H](CC(=O)NCc2ccccc2)S1 ZINC000864345342 706143228 /nfs/dbraw/zinc/14/32/28/706143228.db2.gz UGGOUGDAOYZNOS-KGYLQXTDSA-N 0 2 317.414 1.689 20 30 DDEDLN C[C@@H]1C[C@@H]1/N=C1/NC(=O)C(CC(=O)Nc2cccc(O)c2)S1 ZINC000864344908 706143437 /nfs/dbraw/zinc/14/34/37/706143437.db2.gz JVISRLQCBMDVBK-JFUSQASVSA-N 0 2 319.386 1.717 20 30 DDEDLN C[C@H](CC#N)n1[nH]c2c(c1=O)CCN(C(=O)OC(C)(C)C)C2 ZINC000887287427 709007861 /nfs/dbraw/zinc/00/78/61/709007861.db2.gz ZFFNVIFZHBFATF-GHMZBOCLSA-N 0 2 306.366 1.744 20 30 DDEDLN C=CCOC[C@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)C(=O)[O-] ZINC000901809028 710152693 /nfs/dbraw/zinc/15/26/93/710152693.db2.gz NSEWYZAGLXGJGJ-LBPRGKRZSA-N 0 2 323.780 1.972 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2cnc3n2CCCC3)cc1 ZINC000901815479 710154294 /nfs/dbraw/zinc/15/42/94/710154294.db2.gz GUDULGCSVIVKFZ-UHFFFAOYSA-N 0 2 302.359 1.892 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC000892864130 710515036 /nfs/dbraw/zinc/51/50/36/710515036.db2.gz RUWLDEAFTJACLS-VXGBXAGGSA-N 0 2 303.362 1.907 20 30 DDEDLN C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000908034504 712669838 /nfs/dbraw/zinc/66/98/38/712669838.db2.gz HGBFLNOPNAQCDX-SRVKXCTJSA-N 0 2 306.366 1.198 20 30 DDEDLN C=CCC[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C(=O)[O-] ZINC000908846774 712868131 /nfs/dbraw/zinc/86/81/31/712868131.db2.gz VPEZSNDMDGIVTH-CYBMUJFWSA-N 0 2 320.393 1.481 20 30 DDEDLN Cc1ccc(C/N=C2/NC(=O)[C@@H](CC(=O)NC3CC3)S2)cc1 ZINC000914582460 713397725 /nfs/dbraw/zinc/39/77/25/713397725.db2.gz ZPUOWRPOBXVMQK-CYBMUJFWSA-N 0 2 317.414 1.751 20 30 DDEDLN C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001028069290 738987474 /nfs/dbraw/zinc/98/74/74/738987474.db2.gz FXWMOQDYTNIOKV-MRXNPFEDSA-N 0 2 323.400 1.689 20 30 DDEDLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)NC(=O)C#CC1CC1 ZINC001076857860 743054569 /nfs/dbraw/zinc/05/45/69/743054569.db2.gz YEXGKECEYIMKGG-GZMMTYOYSA-N 0 2 308.275 1.311 20 30 DDEDLN C[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)NC(=O)C#CC1CC1 ZINC001076857860 743054574 /nfs/dbraw/zinc/05/45/74/743054574.db2.gz YEXGKECEYIMKGG-GZMMTYOYSA-N 0 2 308.275 1.311 20 30 DDEDLN N#Cc1cncc(NC2(CNC(=O)C(F)C(F)(F)F)CC2)n1 ZINC001110375382 744341051 /nfs/dbraw/zinc/34/10/51/744341051.db2.gz GVHZAMZFKZAQSQ-SECBINFHSA-N 0 2 317.246 1.309 20 30 DDEDLN N#Cc1cncc(NC2(CNC(=O)[C@@H](F)C(F)(F)F)CC2)n1 ZINC001110375382 744341056 /nfs/dbraw/zinc/34/10/56/744341056.db2.gz GVHZAMZFKZAQSQ-SECBINFHSA-N 0 2 317.246 1.309 20 30 DDEDLN C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)C(F)C(F)(F)F ZINC001106603316 745826688 /nfs/dbraw/zinc/82/66/88/745826688.db2.gz IOUYDDSVSZFOSI-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNc1ccc(C#N)nn1)NC(=O)[C@H](F)C(F)(F)F ZINC001106603316 745826693 /nfs/dbraw/zinc/82/66/93/745826693.db2.gz IOUYDDSVSZFOSI-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNc1ccncc1C#N)NC(=O)C(F)C(F)(F)F ZINC001106604404 745827498 /nfs/dbraw/zinc/82/74/98/745827498.db2.gz YYLMRGQRKIVZDJ-KCJUWKMLSA-N 0 2 318.274 1.582 20 30 DDEDLN C[C@H](CCNc1ccncc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001106604404 745827501 /nfs/dbraw/zinc/82/75/01/745827501.db2.gz YYLMRGQRKIVZDJ-KCJUWKMLSA-N 0 2 318.274 1.582 20 30 DDEDLN C=C[C@@H]1C[C@]1(NC(=O)c1c(F)ccc(F)c1O)C(=O)OCC ZINC001192719491 745879775 /nfs/dbraw/zinc/87/97/75/745879775.db2.gz KGIUWYRJNNHMKY-ANRSDYALSA-N 0 2 311.284 1.908 20 30 DDEDLN CCOC(=O)C1=C(NC(=O)c2cccc(C#N)c2O)[C@H](C)OC1 ZINC001193658222 746168749 /nfs/dbraw/zinc/16/87/49/746168749.db2.gz YZNLKVWNDSYNLF-VIFPVBQESA-N 0 2 316.313 1.230 20 30 DDEDLN CSc1nc(NC(=O)c2cccc(C#N)c2O)cc(=O)n1C ZINC001193657814 746168989 /nfs/dbraw/zinc/16/89/89/746168989.db2.gz HCLBVBZJPOYFBP-UHFFFAOYSA-N 0 2 316.342 1.332 20 30 DDEDLN Cc1ccc(S(=O)(=O)Nc2cnc3cnccn32)cc1C#N ZINC001201294666 748468042 /nfs/dbraw/zinc/46/80/42/748468042.db2.gz BZDOJLLKYLZSLA-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001098327174 762063954 /nfs/dbraw/zinc/06/39/54/762063954.db2.gz CFYPUAJUMLVDSG-POYBYMJQSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001098327174 762063964 /nfs/dbraw/zinc/06/39/64/762063964.db2.gz CFYPUAJUMLVDSG-POYBYMJQSA-N 0 2 305.235 1.165 20 30 DDEDLN CCN(C(=O)C(F)C(F)(F)F)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001079901841 755624768 /nfs/dbraw/zinc/62/47/68/755624768.db2.gz YIJTXWKDWKISEW-IONNQARKSA-N 0 2 309.263 1.106 20 30 DDEDLN CCN(C(=O)[C@@H](F)C(F)(F)F)C1CN(C(=O)[C@@H](C)C#N)C1 ZINC001079901841 755624770 /nfs/dbraw/zinc/62/47/70/755624770.db2.gz YIJTXWKDWKISEW-IONNQARKSA-N 0 2 309.263 1.106 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ncc(C#N)cc1F ZINC001098327300 762944394 /nfs/dbraw/zinc/94/43/94/762944394.db2.gz GIGTXBUNGDYKHR-IMTBSYHQSA-N 0 2 322.237 1.909 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ncc(C#N)cc1F ZINC001098327300 762944399 /nfs/dbraw/zinc/94/43/99/762944399.db2.gz GIGTXBUNGDYKHR-IMTBSYHQSA-N 0 2 322.237 1.909 20 30 DDEDLN C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]nnc3c1)C2 ZINC001096526473 770838150 /nfs/dbraw/zinc/83/81/50/770838150.db2.gz ZDNBIXHMXPDUQQ-KCXAZCMYSA-N 0 2 311.389 1.869 20 30 DDEDLN C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001424801763 844794599 /nfs/dbraw/zinc/79/45/99/844794599.db2.gz HNIWSLUFPBROKL-WPRPVWTQSA-N 0 2 323.290 1.496 20 30 DDEDLN C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001424801763 844794603 /nfs/dbraw/zinc/79/46/03/844794603.db2.gz HNIWSLUFPBROKL-WPRPVWTQSA-N 0 2 323.290 1.496 20 30 DDEDLN N#CC[C@H](C(=O)NOCCN1CCCC1=O)c1ccccc1 ZINC001149452042 861624207 /nfs/dbraw/zinc/62/42/07/861624207.db2.gz NGNPOCZMPNIIFQ-AWEZNQCLSA-N 0 2 301.346 1.354 20 30 DDEDLN N#Cc1ccc(-c2noc(-c3n[nH]c(Br)n3)n2)nc1 ZINC001213002322 863055553 /nfs/dbraw/zinc/05/55/53/863055553.db2.gz ZOGJHRQMXHZBHS-UHFFFAOYSA-N 0 2 318.094 1.551 20 30 DDEDLN Cn1cc(NC(=O)c2cc(=O)c3cccc(O)c3[nH]2)c(C#N)n1 ZINC001152670412 863481997 /nfs/dbraw/zinc/48/19/97/863481997.db2.gz CJMJYRHKVHAOMP-UHFFFAOYSA-N 0 2 309.285 1.503 20 30 DDEDLN C=CC[NH+]1CCC(CNC(=O)c2n[nH]c(C)c2[O-])(COC)CC1 ZINC001162208700 867339386 /nfs/dbraw/zinc/33/93/86/867339386.db2.gz LSKZGYKHJMMDLJ-UHFFFAOYSA-N 0 2 322.409 1.068 20 30 DDEDLN C=C1CCC(C(=O)N[C@H](C)CNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001298699009 870680285 /nfs/dbraw/zinc/68/02/85/870680285.db2.gz NHJFQSGAASHODE-GFCCVEGCSA-N 0 2 318.421 1.628 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CC[C@H](C)C1 ZINC001342025727 871958730 /nfs/dbraw/zinc/95/87/30/871958730.db2.gz HOIUELORNFRRKG-NSHDSACASA-N 0 2 302.382 1.899 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N(C)C[C@H]1CCOC1 ZINC001342413652 872198153 /nfs/dbraw/zinc/19/81/53/872198153.db2.gz GKZQIRDLVMBJFP-SECBINFHSA-N 0 2 323.788 1.375 20 30 DDEDLN C=CCOCC(COCC=C)Oc1[nH]c(=O)nc2nc[nH]c21 ZINC001227069217 882813186 /nfs/dbraw/zinc/81/31/86/882813186.db2.gz GTHIGCZDWXOBSK-UHFFFAOYSA-N 0 2 306.322 1.211 20 30 DDEDLN O=C(C#CC1CC1)NC[C@H](NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001353104829 877123400 /nfs/dbraw/zinc/12/34/00/877123400.db2.gz WJYPMNXJFPIAON-JQWIXIFHSA-N 0 2 320.286 1.311 20 30 DDEDLN O=C(C#CC1CC1)NC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001353104829 877123409 /nfs/dbraw/zinc/12/34/09/877123409.db2.gz WJYPMNXJFPIAON-JQWIXIFHSA-N 0 2 320.286 1.311 20 30 DDEDLN COc1cc(Cl)ccc1CNc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001472697791 878037471 /nfs/dbraw/zinc/03/74/71/878037471.db2.gz PRQKSHBRWPJZTQ-UHFFFAOYSA-N 0 2 320.736 1.219 20 30 DDEDLN C=C[C@H](CC)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]21 ZINC001221762335 880064580 /nfs/dbraw/zinc/06/45/80/880064580.db2.gz YOFHBQMRZAHIAY-JHJVBQTASA-N 0 2 319.409 1.145 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1=CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001288434539 912898192 /nfs/dbraw/zinc/89/81/92/912898192.db2.gz YWMREGJRKRRTLE-PSASIEDQSA-N 0 2 321.274 1.321 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1=CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001288434539 912898205 /nfs/dbraw/zinc/89/82/05/912898205.db2.gz YWMREGJRKRRTLE-PSASIEDQSA-N 0 2 321.274 1.321 20 30 DDEDLN Cn1c(=O)[nH]c(N[C@@H](c2ccccn2)C2CCC2)c(C#N)c1=O ZINC001363153216 885593809 /nfs/dbraw/zinc/59/38/09/885593809.db2.gz JQHNPPBORQXQJD-CYBMUJFWSA-N 0 2 311.345 1.294 20 30 DDEDLN CC[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@@H](C)CO1 ZINC001365313064 890567873 /nfs/dbraw/zinc/56/78/73/890567873.db2.gz GAQGHTZGBFESNH-GWCFXTLKSA-N 0 2 301.350 1.306 20 30 DDEDLN CC[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@@H](C)CO1 ZINC001365313064 890567877 /nfs/dbraw/zinc/56/78/77/890567877.db2.gz GAQGHTZGBFESNH-GWCFXTLKSA-N 0 2 301.350 1.306 20 30 DDEDLN CSc1cc(NS(=O)(=O)c2ccc(C#N)cc2)n(C)n1 ZINC001258045321 898030999 /nfs/dbraw/zinc/03/09/99/898030999.db2.gz IJYXWGMWKRRUKQ-UHFFFAOYSA-N 0 2 308.388 1.814 20 30 DDEDLN Cc1cnn(C2COC2)c1NS(=O)(=O)c1ccc(C#N)cc1 ZINC001258053808 898037300 /nfs/dbraw/zinc/03/73/00/898037300.db2.gz QDFYHHNJUYSUSM-UHFFFAOYSA-N 0 2 318.358 1.435 20 30 DDEDLN CC/N=C1\NC(=O)C(CC(=O)Nc2ccccc2OC)S1 ZINC000003592379 352111994 /nfs/dbraw/zinc/11/19/94/352111994.db2.gz ZUTLRYRWPUOHBW-NSHDSACASA-N 0 2 307.375 1.631 20 30 DDEDLN CC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2OC)S1 ZINC000003592379 352111999 /nfs/dbraw/zinc/11/19/99/352111999.db2.gz ZUTLRYRWPUOHBW-NSHDSACASA-N 0 2 307.375 1.631 20 30 DDEDLN C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000580775650 354727092 /nfs/dbraw/zinc/72/70/92/354727092.db2.gz HGBFLNOPNAQCDX-QJPTWQEYSA-N 0 2 306.366 1.198 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N[C@H](C#N)CC(C)C)c1 ZINC000591759370 355378800 /nfs/dbraw/zinc/37/88/00/355378800.db2.gz JZTXFQJPUGDOAZ-LAJNKCICSA-N 0 2 308.403 1.857 20 30 DDEDLN C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000188200399 200208062 /nfs/dbraw/zinc/20/80/62/200208062.db2.gz LPDRIYUVNREYNT-QMMMGPOBSA-N 0 2 302.338 1.032 20 30 DDEDLN COCCn1cc(S(=O)(=O)Nc2ccccc2CC#N)cn1 ZINC000337881223 223252473 /nfs/dbraw/zinc/25/24/73/223252473.db2.gz YGCNSPOUWSUPSV-UHFFFAOYSA-N 0 2 320.374 1.396 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCOC[C@H](C)C2)cc1C#N ZINC000339001403 250241311 /nfs/dbraw/zinc/24/13/11/250241311.db2.gz HGDPTZOYNDITDJ-SECBINFHSA-N 0 2 307.375 1.489 20 30 DDEDLN COc1ccc2[nH]cc(CC(=O)Nc3nc(C#N)c(C#N)[nH]3)c2c1 ZINC000075939346 406947529 /nfs/dbraw/zinc/94/75/29/406947529.db2.gz GLKSBEJNTRSXET-UHFFFAOYSA-N 0 2 320.312 1.824 20 30 DDEDLN CC[C@H]1CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C[C@@H](C)O1 ZINC000111644544 407413137 /nfs/dbraw/zinc/41/31/37/407413137.db2.gz UEMFKZIRJRTXGB-KOLCDFICSA-N 0 2 321.402 1.608 20 30 DDEDLN N#Cc1cc(F)ccc1NS(=O)(=O)c1cccc(C(N)=O)c1 ZINC000183397471 162852140 /nfs/dbraw/zinc/85/21/40/162852140.db2.gz UDQSWSIBMPRKIW-UHFFFAOYSA-N 0 2 319.317 1.597 20 30 DDEDLN C(#CC[N@H+]1CC[C@H](n2cccn2)C1)C[NH+]1CC[C@@H](n2cccn2)C1 ZINC000292001035 408960199 /nfs/dbraw/zinc/96/01/99/408960199.db2.gz XIJUFJARIQXDCE-HDICACEKSA-N 0 2 324.432 1.277 20 30 DDEDLN Cn1nc(NS(=O)(=O)c2cccc(C#N)c2)cc1C1CC1 ZINC000290425968 409395172 /nfs/dbraw/zinc/39/51/72/409395172.db2.gz AEDABJRXXNSSNX-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN C=CCN(CCOC)C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000362410927 418754232 /nfs/dbraw/zinc/75/42/32/418754232.db2.gz MXKYADHNQMXURL-UHFFFAOYSA-N 0 2 303.318 1.305 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2ccn(CCC#N)n2)ccc1C#N ZINC000435736240 420281044 /nfs/dbraw/zinc/28/10/44/420281044.db2.gz VKNLMEGEGUYXMR-UHFFFAOYSA-N 0 2 315.358 1.778 20 30 DDEDLN Cc1cc(C(O)=C(C#N)C(=O)NC(C)C)c(C)n1[C@@H]1CCOC1 ZINC000528917296 421524243 /nfs/dbraw/zinc/52/42/43/421524243.db2.gz HGFBVGPTZAWXMA-UKRRQHHQSA-N 0 2 317.389 1.913 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)[N-]c2c[nH+]ccc2N2CCCC2)o1 ZINC000555193489 421671069 /nfs/dbraw/zinc/67/10/69/421671069.db2.gz DXYJKXGSLSVDSL-UHFFFAOYSA-N 0 2 318.358 1.947 20 30 DDEDLN CC#CC[C@H](CO)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632506331 422397115 /nfs/dbraw/zinc/39/71/15/422397115.db2.gz WREMQEOJRVRXPW-SECBINFHSA-N 0 2 318.782 1.258 20 30 DDEDLN CC#CC[C@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000649186393 423665371 /nfs/dbraw/zinc/66/53/71/423665371.db2.gz YGCQWYFHQOBLRV-GFCCVEGCSA-N 0 2 317.320 1.221 20 30 DDEDLN C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000375292526 267063578 /nfs/dbraw/zinc/06/35/78/267063578.db2.gz MBGQJXNIZDGMJD-GHMZBOCLSA-N 0 2 321.344 1.259 20 30 DDEDLN COC(=O)c1cc(S(=O)(=O)Nc2cc(CC#N)ccn2)c[nH]1 ZINC000532162898 335906259 /nfs/dbraw/zinc/90/62/59/335906259.db2.gz GMLURMNINOJREF-UHFFFAOYSA-N 0 2 320.330 1.063 20 30 DDEDLN CCOc1cnc(C(=O)[C@H](C#N)c2nc3c(nccc3C)[nH]2)cn1 ZINC000681724031 486501674 /nfs/dbraw/zinc/50/16/74/486501674.db2.gz SWCFUOFTCDKVQS-JTQLQIEISA-N 0 2 322.328 1.945 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1cccnc1OCC(F)F ZINC000416951430 529271336 /nfs/dbraw/zinc/27/13/36/529271336.db2.gz INEGXQLJOMUGKP-QMMMGPOBSA-N 0 2 305.306 1.769 20 30 DDEDLN C[C@](C#N)(NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000736201567 599785856 /nfs/dbraw/zinc/78/58/56/599785856.db2.gz IPCMTADFIHGENN-GOEBONIOSA-N 0 2 301.346 1.210 20 30 DDEDLN N#Cc1ccc([C@H]([NH2+]CC(=O)NCc2ccccc2)C(=O)[O-])cc1 ZINC000739107053 600594164 /nfs/dbraw/zinc/59/41/64/600594164.db2.gz OTSUHEOYNDNLBI-KRWDZBQOSA-N 0 2 323.352 1.590 20 30 DDEDLN CC#CCN1CCO[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000972389469 695237933 /nfs/dbraw/zinc/23/79/33/695237933.db2.gz OBWIUSSXSFXWGF-AAEUAGOBSA-N 0 2 322.302 1.213 20 30 DDEDLN C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC000974695100 695713310 /nfs/dbraw/zinc/71/33/10/695713310.db2.gz VLPGIWQZJFETAF-UMVBOHGHSA-N 0 2 302.422 1.916 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)N(C)CC)cc2[nH]c1=S ZINC000071867758 696392537 /nfs/dbraw/zinc/39/25/37/696392537.db2.gz AGTOOXXILCXJKV-UHFFFAOYSA-N 0 2 303.387 1.963 20 30 DDEDLN CC(C)c1csc([C@H](C#N)C(=O)CCN2C(=O)CCC2=O)n1 ZINC000080457841 696535088 /nfs/dbraw/zinc/53/50/88/696535088.db2.gz BNUFXSQPSULYDC-SNVBAGLBSA-N 0 2 319.386 1.982 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2cccc3nsnc32)s1 ZINC000799184869 700127210 /nfs/dbraw/zinc/12/72/10/700127210.db2.gz LVFPKHSZSNUNQB-UHFFFAOYSA-N 0 2 323.384 1.820 20 30 DDEDLN C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)C(F)C(F)(F)F)C2 ZINC000982283650 697082932 /nfs/dbraw/zinc/08/29/32/697082932.db2.gz VZNQLJBLHDYLJT-JLLWLGSASA-N 0 2 307.291 1.581 20 30 DDEDLN C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC000982283650 697082935 /nfs/dbraw/zinc/08/29/35/697082935.db2.gz VZNQLJBLHDYLJT-JLLWLGSASA-N 0 2 307.291 1.581 20 30 DDEDLN Cc1nc2cc[nH]n2c(=O)c1CC(=O)OCC(C)(C)CC#N ZINC000184774046 697507642 /nfs/dbraw/zinc/50/76/42/697507642.db2.gz LZIQWBLZDUUTHT-UHFFFAOYSA-N 0 2 302.334 1.357 20 30 DDEDLN C#C[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000185359153 697517529 /nfs/dbraw/zinc/51/75/29/697517529.db2.gz LDBKGOPBIXNNKG-SECBINFHSA-N 0 2 301.371 1.457 20 30 DDEDLN N#Cc1ccccc1C=CC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000773649379 697790810 /nfs/dbraw/zinc/79/08/10/697790810.db2.gz KFWLXLCOTMMSJL-DANTVBBOSA-N 0 2 323.356 1.801 20 30 DDEDLN CCOC(=O)CN(CC(F)(F)F)C(=O)C(F)C(F)(F)F ZINC000788127865 699281860 /nfs/dbraw/zinc/28/18/60/699281860.db2.gz ILCBBOCIHQYDGC-LURJTMIESA-N 0 2 313.169 1.841 20 30 DDEDLN CCOC(=O)CN(CC(F)(F)F)C(=O)[C@H](F)C(F)(F)F ZINC000788127865 699281862 /nfs/dbraw/zinc/28/18/62/699281862.db2.gz ILCBBOCIHQYDGC-LURJTMIESA-N 0 2 313.169 1.841 20 30 DDEDLN N#CC(C(=O)CCCCNC(N)=O)c1nc2ccccc2o1 ZINC000729069596 699465657 /nfs/dbraw/zinc/46/56/57/699465657.db2.gz SOXJGZVOWWXCLZ-JTQLQIEISA-N 0 2 300.318 1.843 20 30 DDEDLN N#CCOc1cccc(NC(=O)CC2SC(=N)NC2=O)c1 ZINC000742548133 699881651 /nfs/dbraw/zinc/88/16/51/699881651.db2.gz AMTNNILTNYBCJV-JTQLQIEISA-N 0 2 304.331 1.084 20 30 DDEDLN N#CCOc1cccc(NC(=O)CC2SC(=N)NC2=O)c1 ZINC000742548136 699881787 /nfs/dbraw/zinc/88/17/87/699881787.db2.gz AMTNNILTNYBCJV-SNVBAGLBSA-N 0 2 304.331 1.084 20 30 DDEDLN C#CCOCCOC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000762726547 700905115 /nfs/dbraw/zinc/90/51/15/700905115.db2.gz ZQRFUUKBUFKNRZ-UHFFFAOYSA-N 0 2 318.354 1.029 20 30 DDEDLN O=C(C(F)C(F)(F)F)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000811522468 701996493 /nfs/dbraw/zinc/99/64/93/701996493.db2.gz ABIYZEIVHJEUMH-LURJTMIESA-N 0 2 310.169 1.120 20 30 DDEDLN O=C([C@H](F)C(F)(F)F)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000811522468 701996498 /nfs/dbraw/zinc/99/64/98/701996498.db2.gz ABIYZEIVHJEUMH-LURJTMIESA-N 0 2 310.169 1.120 20 30 DDEDLN O=C(C(F)C(F)(F)F)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000811523093 701996705 /nfs/dbraw/zinc/99/67/05/701996705.db2.gz AMDVFOSCRCCWDU-QYNIQEEDSA-N 0 2 311.197 1.906 20 30 DDEDLN O=C([C@H](F)C(F)(F)F)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000811523093 701996706 /nfs/dbraw/zinc/99/67/06/701996706.db2.gz AMDVFOSCRCCWDU-QYNIQEEDSA-N 0 2 311.197 1.906 20 30 DDEDLN Cc1cc(C#N)nc(N2CC[C@](C)(NC(=O)C(F)(F)F)C2)n1 ZINC000866285344 706665266 /nfs/dbraw/zinc/66/52/66/706665266.db2.gz YRMSNZHDMUKLMW-LBPRGKRZSA-N 0 2 313.283 1.304 20 30 DDEDLN C#C[C@H](CCC)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000861298637 705423513 /nfs/dbraw/zinc/42/35/13/705423513.db2.gz DKHMUAIKLXXQCM-SECBINFHSA-N 0 2 316.279 1.990 20 30 DDEDLN Cc1cccc2c1O[C@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C2 ZINC000835234976 707201420 /nfs/dbraw/zinc/20/14/20/707201420.db2.gz LLHZYOAFKNGHAE-STQMWFEESA-N 0 2 309.325 1.624 20 30 DDEDLN C[C@H](CC#N)n1[nH]c2c(c1=O)CCN(C(=O)OC(C)(C)C)C2 ZINC000887287428 709007801 /nfs/dbraw/zinc/00/78/01/709007801.db2.gz ZFFNVIFZHBFATF-MNOVXSKESA-N 0 2 306.366 1.744 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000892862853 710514941 /nfs/dbraw/zinc/51/49/41/710514941.db2.gz FONDARDRKLBHJC-YATPEIPISA-N 0 2 303.387 1.986 20 30 DDEDLN CNC(=O)CC1SC(=Nc2cnn(C)c2)N(C2CCC2)C1=O ZINC000906546499 712351197 /nfs/dbraw/zinc/35/11/97/712351197.db2.gz UJTKSZSTQMKTEH-NSHDSACASA-N 0 2 321.406 1.040 20 30 DDEDLN CNC(=O)C[C@@H]1SC(=Nc2cnn(C)c2)N(C2CCC2)C1=O ZINC000906546499 712351199 /nfs/dbraw/zinc/35/11/99/712351199.db2.gz UJTKSZSTQMKTEH-NSHDSACASA-N 0 2 321.406 1.040 20 30 DDEDLN COC[C@H](C)/N=C1/NC(=O)C(CC(=O)Nc2ccccc2)S1 ZINC000916229917 713447509 /nfs/dbraw/zinc/44/75/09/713447509.db2.gz XRPXXUOIIZLTCS-JQWIXIFHSA-N 0 2 321.402 1.638 20 30 DDEDLN COC(=O)CC1CC(NS(=O)(=O)c2ccccc2CC#N)C1 ZINC000921181952 713719022 /nfs/dbraw/zinc/71/90/22/713719022.db2.gz ZGBGZQJDPZFCHU-UHFFFAOYSA-N 0 2 322.386 1.373 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)o1 ZINC000921857431 713887750 /nfs/dbraw/zinc/88/77/50/713887750.db2.gz STLSAMBFSPIBRD-GMSGAONNSA-N 0 2 324.280 1.397 20 30 DDEDLN C=C(C)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000969981846 720584622 /nfs/dbraw/zinc/58/46/22/720584622.db2.gz QHGUFRVJNRPZMS-ZIAGYGMSSA-N 0 2 302.422 1.458 20 30 DDEDLN C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001035361641 751446523 /nfs/dbraw/zinc/44/65/23/751446523.db2.gz OEJGPKJHPFFOPO-CVEARBPZSA-N 0 2 309.454 1.252 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CCO[C@@H](C)C1 ZINC001121498078 782536453 /nfs/dbraw/zinc/53/64/53/782536453.db2.gz YPRLIHSNJMEVEI-NSHDSACASA-N 0 2 318.381 1.278 20 30 DDEDLN C#Cc1cc(=NS(=O)(=O)c2ccc3nsnc3c2)cc[nH]1 ZINC001186225245 744358842 /nfs/dbraw/zinc/35/88/42/744358842.db2.gz JBBBJMSFKRWSEN-UHFFFAOYSA-N 0 2 316.367 1.290 20 30 DDEDLN N#Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)n1 ZINC001186896570 744462813 /nfs/dbraw/zinc/46/28/13/744462813.db2.gz SSQLHAPSLPAYDF-UHFFFAOYSA-N 0 2 314.326 1.249 20 30 DDEDLN N#Cc1cncc(NS(=O)(=O)CCc2ccc(Cl)cc2)n1 ZINC001189073253 744822476 /nfs/dbraw/zinc/82/24/76/744822476.db2.gz MCUBBUNSAGJBKH-UHFFFAOYSA-N 0 2 322.777 1.986 20 30 DDEDLN C=CC[C@H](NS(=O)(=O)C(Cl)(Cl)Cl)C(=O)OC ZINC001192049448 745671932 /nfs/dbraw/zinc/67/19/32/745671932.db2.gz HIRJNDLNMRJNRI-YFKPBYRVSA-N 0 2 310.586 1.351 20 30 DDEDLN COC(=O)c1cc(F)c(NS(=O)(=O)CC#N)c(C)c1F ZINC001192982267 745940748 /nfs/dbraw/zinc/94/07/48/745940748.db2.gz MXFBDTXRAPGTSG-UHFFFAOYSA-N 0 2 304.274 1.325 20 30 DDEDLN CCN(CCNc1cncc(C#N)n1)C(=O)C(F)C(F)(F)F ZINC001106976096 748456469 /nfs/dbraw/zinc/45/64/69/748456469.db2.gz SRIUEKGNOFHHNL-JTQLQIEISA-N 0 2 319.262 1.509 20 30 DDEDLN CCN(CCNc1cncc(C#N)n1)C(=O)[C@H](F)C(F)(F)F ZINC001106976096 748456473 /nfs/dbraw/zinc/45/64/73/748456473.db2.gz SRIUEKGNOFHHNL-JTQLQIEISA-N 0 2 319.262 1.509 20 30 DDEDLN C#CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206822 748920242 /nfs/dbraw/zinc/92/02/42/748920242.db2.gz JPGKWQTYLRUDLQ-HUUCEWRRSA-N 0 2 300.406 1.002 20 30 DDEDLN N#Cc1cnccc1NC/C=C\CNC(=O)C(F)C(F)(F)F ZINC001107561843 750139297 /nfs/dbraw/zinc/13/92/97/750139297.db2.gz PFICNTFANNQVTE-RFMOXSJOSA-N 0 2 316.258 1.360 20 30 DDEDLN N#Cc1cnccc1NC/C=C\CNC(=O)[C@@H](F)C(F)(F)F ZINC001107561843 750139301 /nfs/dbraw/zinc/13/93/01/750139301.db2.gz PFICNTFANNQVTE-RFMOXSJOSA-N 0 2 316.258 1.360 20 30 DDEDLN C#CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001046319078 767417303 /nfs/dbraw/zinc/41/73/03/767417303.db2.gz PDQCQFZFFRACDK-PBHICJAKSA-N 0 2 300.406 1.434 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)cn1 ZINC001098328109 767510075 /nfs/dbraw/zinc/51/00/75/767510075.db2.gz UBETUZXIRAKZBG-GMSGAONNSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ccc(C#N)cn1 ZINC001098328109 767510082 /nfs/dbraw/zinc/51/00/82/767510082.db2.gz UBETUZXIRAKZBG-GMSGAONNSA-N 0 2 304.247 1.770 20 30 DDEDLN N#Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncn[nH]2)C3)c1 ZINC001096203962 768546105 /nfs/dbraw/zinc/54/61/05/768546105.db2.gz ZQMDNORBDQJTMY-ILXRZTDVSA-N 0 2 322.372 1.212 20 30 DDEDLN N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncn[nH]2)C3)c1 ZINC001096203962 768546107 /nfs/dbraw/zinc/54/61/07/768546107.db2.gz ZQMDNORBDQJTMY-ILXRZTDVSA-N 0 2 322.372 1.212 20 30 DDEDLN C#CCCCC(=O)N1CCC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001070670652 768658315 /nfs/dbraw/zinc/65/83/15/768658315.db2.gz CUEWBSHVJVYTER-ZYHUDNBSSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)N1CCC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001070670652 768658310 /nfs/dbraw/zinc/65/83/10/768658310.db2.gz CUEWBSHVJVYTER-ZYHUDNBSSA-N 0 2 322.302 1.798 20 30 DDEDLN C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001267279066 837731627 /nfs/dbraw/zinc/73/16/27/837731627.db2.gz WPABVVDWQJOLNQ-NSHDSACASA-N 0 2 307.398 1.193 20 30 DDEDLN C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001267279066 837731641 /nfs/dbraw/zinc/73/16/41/837731641.db2.gz WPABVVDWQJOLNQ-NSHDSACASA-N 0 2 307.398 1.193 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)NCC[N@H+](Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001266609519 836529046 /nfs/dbraw/zinc/52/90/46/836529046.db2.gz PJFKIILCPYIESU-HNNXBMFYSA-N 0 2 307.398 1.193 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)NCC[N@@H+](Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001266609519 836529048 /nfs/dbraw/zinc/52/90/48/836529048.db2.gz PJFKIILCPYIESU-HNNXBMFYSA-N 0 2 307.398 1.193 20 30 DDEDLN N#Cc1ccccc1C(F)(F)C(=O)NCC1=NC(=O)CC(=O)N1 ZINC001412378719 854488949 /nfs/dbraw/zinc/48/89/49/854488949.db2.gz ZHIKGYDJURNHSH-UHFFFAOYSA-N 0 2 320.255 1.168 20 30 DDEDLN N#Cc1ccccc1C(F)(F)C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001412378719 854488955 /nfs/dbraw/zinc/48/89/55/854488955.db2.gz ZHIKGYDJURNHSH-UHFFFAOYSA-N 0 2 320.255 1.168 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)C(F)C(F)(F)F)CC1 ZINC001073230424 858191743 /nfs/dbraw/zinc/19/17/43/858191743.db2.gz XYTBXLADCKHYEA-DTWKUNHWSA-N 0 2 323.290 1.544 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001073230424 858191747 /nfs/dbraw/zinc/19/17/47/858191747.db2.gz XYTBXLADCKHYEA-DTWKUNHWSA-N 0 2 323.290 1.544 20 30 DDEDLN C=CC[C@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)C(=O)OC ZINC001333393955 866703973 /nfs/dbraw/zinc/70/39/73/866703973.db2.gz RNQYCYKRCMCNRT-ZETCQYMHSA-N 0 2 311.256 1.104 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N[C@@]1(C)CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001324642363 867423244 /nfs/dbraw/zinc/42/32/44/867423244.db2.gz TYQUBSMCNUQOFZ-NHYWBVRUSA-N 0 2 307.398 1.193 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001324642363 867423253 /nfs/dbraw/zinc/42/32/53/867423253.db2.gz TYQUBSMCNUQOFZ-NHYWBVRUSA-N 0 2 307.398 1.193 20 30 DDEDLN CCCCC[C@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001336678853 869089415 /nfs/dbraw/zinc/08/94/15/869089415.db2.gz FXCJQRKRICFOBL-LBPRGKRZSA-N 0 2 304.394 1.884 20 30 DDEDLN C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cnn(-c2ccncc2)c1C ZINC001342582869 872274770 /nfs/dbraw/zinc/27/47/70/872274770.db2.gz HHPRLPJDEQCZFY-MRXNPFEDSA-N 0 2 324.384 1.830 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1COC(=O)c1cnn(-c2ccncc2)c1C ZINC001342582868 872275252 /nfs/dbraw/zinc/27/52/52/872275252.db2.gz HHPRLPJDEQCZFY-INIZCTEOSA-N 0 2 324.384 1.830 20 30 DDEDLN N#C[C@H]1CN(Cc2ccc(CN3CCOCC3)cc2)CCC1=O ZINC001206716893 872532553 /nfs/dbraw/zinc/53/25/53/872532553.db2.gz JRYCQWPISHZUDF-KRWDZBQOSA-N 0 2 313.401 1.433 20 30 DDEDLN N#C[C@@H]1CN(Cc2ccc(CN3CCOCC3)cc2)CCC1=O ZINC001206716894 872532621 /nfs/dbraw/zinc/53/26/21/872532621.db2.gz JRYCQWPISHZUDF-QGZVFWFLSA-N 0 2 313.401 1.433 20 30 DDEDLN C=C(C)Cn1c(-c2c[nH]n(CC)c2=O)nnc1N(C)CCOC ZINC001343787228 872757473 /nfs/dbraw/zinc/75/74/73/872757473.db2.gz LYRSNSDDGKBJFZ-UHFFFAOYSA-N 0 2 320.397 1.526 20 30 DDEDLN CCn1ccnc1[C@H](C#N)C(=O)c1ncc(Br)cn1 ZINC001344322223 872976682 /nfs/dbraw/zinc/97/66/82/872976682.db2.gz KCFDFWYAWRYSPC-SECBINFHSA-N 0 2 320.150 1.946 20 30 DDEDLN CCn1ccnc1C(C#N)C(=O)c1ncc(Br)cn1 ZINC001344322223 872976674 /nfs/dbraw/zinc/97/66/74/872976674.db2.gz KCFDFWYAWRYSPC-SECBINFHSA-N 0 2 320.150 1.946 20 30 DDEDLN C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001207107847 873025640 /nfs/dbraw/zinc/02/56/40/873025640.db2.gz SUSPKEWCCKVSGO-DGCLKSJQSA-N 0 2 319.409 1.215 20 30 DDEDLN C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001207107847 873025659 /nfs/dbraw/zinc/02/56/59/873025659.db2.gz SUSPKEWCCKVSGO-DGCLKSJQSA-N 0 2 319.409 1.215 20 30 DDEDLN CSc1nc(OC2=C(C)O[C@@H](C)C2=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624912 883108838 /nfs/dbraw/zinc/10/88/38/883108838.db2.gz IRWLVIROPCQAPI-BYPYZUCNSA-N 0 2 313.291 1.410 20 30 DDEDLN C#CC[C@H](CC)Oc1nc(I)cc(=O)[nH]1 ZINC001228951049 883743659 /nfs/dbraw/zinc/74/36/59/883743659.db2.gz STMRSKNOCUGKCE-ZETCQYMHSA-N 0 2 318.114 1.968 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1=CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001288434541 912898743 /nfs/dbraw/zinc/89/87/43/912898743.db2.gz YWMREGJRKRRTLE-SCZZXKLOSA-N 0 2 321.274 1.321 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1=CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001288434541 912898761 /nfs/dbraw/zinc/89/87/61/912898761.db2.gz YWMREGJRKRRTLE-SCZZXKLOSA-N 0 2 321.274 1.321 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2cc(Br)cs2)c1=O ZINC001364278007 888280221 /nfs/dbraw/zinc/28/02/21/888280221.db2.gz HDHMZRQSQXUJOD-UHFFFAOYSA-N 0 2 312.148 1.281 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)NC(=O)CC(F)(F)F ZINC001386300918 890746084 /nfs/dbraw/zinc/74/60/84/890746084.db2.gz DHUCWQYTIWKOLH-NJGYIYPDSA-N 0 2 312.185 1.460 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)NC(=O)CC(F)(F)F ZINC001386300918 890746093 /nfs/dbraw/zinc/74/60/93/890746093.db2.gz DHUCWQYTIWKOLH-NJGYIYPDSA-N 0 2 312.185 1.460 20 30 DDEDLN C[S@@](=O)CCCNC(=S)Nc1cc(C#N)c(F)cc1O ZINC001246573222 892708442 /nfs/dbraw/zinc/70/84/42/892708442.db2.gz DNPDKADJTVAVES-HXUWFJFHSA-N 0 2 315.395 1.458 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1c(C)c(C)cc(C)c1C ZINC001254176059 896284320 /nfs/dbraw/zinc/28/43/20/896284320.db2.gz RWHIYJRPKVBLDY-CYBMUJFWSA-N 0 2 324.402 1.654 20 30 DDEDLN COc1ccc(OC)c(S(=O)(=O)Nc2ccnc(C#N)c2)c1 ZINC001254360655 896383443 /nfs/dbraw/zinc/38/34/43/896383443.db2.gz SUNLIFNGXBSEPK-UHFFFAOYSA-N 0 2 319.342 1.193 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cn1 ZINC001254875404 896644722 /nfs/dbraw/zinc/64/47/22/896644722.db2.gz UDGUQZMBIHFTNV-UHFFFAOYSA-N 0 2 312.713 1.942 20 30 DDEDLN C=CCCC(=O)N1CC[C@@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001299546749 898406994 /nfs/dbraw/zinc/40/69/94/898406994.db2.gz LCELVVRFRUBXQJ-ZYHUDNBSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)N1CC[C@@](C)(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001299546749 898407001 /nfs/dbraw/zinc/40/70/01/898407001.db2.gz LCELVVRFRUBXQJ-ZYHUDNBSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=C(Cl)CN(CCNC(=O)C(F)C(F)(F)F)CCOC ZINC001369551584 901513654 /nfs/dbraw/zinc/51/36/54/901513654.db2.gz LZSMEIKKBUKUOK-SECBINFHSA-N 0 2 320.714 1.704 20 30 DDEDLN C=C(Cl)CN(CCNC(=O)[C@@H](F)C(F)(F)F)CCOC ZINC001369551584 901513660 /nfs/dbraw/zinc/51/36/60/901513660.db2.gz LZSMEIKKBUKUOK-SECBINFHSA-N 0 2 320.714 1.704 20 30 DDEDLN C=C(Cl)CN(CCNC(=O)C(F)C(F)(F)F)CCOC ZINC001369551590 901513986 /nfs/dbraw/zinc/51/39/86/901513986.db2.gz LZSMEIKKBUKUOK-VIFPVBQESA-N 0 2 320.714 1.704 20 30 DDEDLN C=C(Cl)CN(CCNC(=O)[C@H](F)C(F)(F)F)CCOC ZINC001369551590 901513994 /nfs/dbraw/zinc/51/39/94/901513994.db2.gz LZSMEIKKBUKUOK-VIFPVBQESA-N 0 2 320.714 1.704 20 30 DDEDLN C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001282744202 906014256 /nfs/dbraw/zinc/01/42/56/906014256.db2.gz MHUOMKTZYSKSBQ-ZUZCIYMTSA-N 0 2 307.398 1.049 20 30 DDEDLN C=CC(C)(C)CC(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001284913035 909720503 /nfs/dbraw/zinc/72/05/03/909720503.db2.gz FGJWCHXZAAQEBA-JTQLQIEISA-N 0 2 310.291 1.816 20 30 DDEDLN C=CC(C)(C)CC(=O)N1CC(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001284913035 909720511 /nfs/dbraw/zinc/72/05/11/909720511.db2.gz FGJWCHXZAAQEBA-JTQLQIEISA-N 0 2 310.291 1.816 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(O[C@H]3CCOC3)cc2)[nH]c1C#N ZINC000279675276 215051396 /nfs/dbraw/zinc/05/13/96/215051396.db2.gz ZJCSPRZYPGFHIZ-LBPRGKRZSA-N 0 2 323.312 1.573 20 30 DDEDLN C=C(Br)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000070881851 190921431 /nfs/dbraw/zinc/92/14/31/190921431.db2.gz GYKYDNQHUSSOIB-UHFFFAOYSA-N 0 2 301.096 1.939 20 30 DDEDLN COCCOC1CCC(C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1 ZINC000279950241 215265436 /nfs/dbraw/zinc/26/54/36/215265436.db2.gz HTXQXEMDBOPJME-UHFFFAOYSA-N 0 2 317.349 1.313 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[C@H](CO)CC2)cc1C#N ZINC000129330917 354081158 /nfs/dbraw/zinc/08/11/58/354081158.db2.gz LERNMOTXEIIIMT-JGZJWPJOSA-N 0 2 321.402 1.249 20 30 DDEDLN N#CCN1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000586776117 354864776 /nfs/dbraw/zinc/86/47/76/354864776.db2.gz IDZSDEFRDCCDEI-UHFFFAOYSA-N 0 2 304.306 1.018 20 30 DDEDLN COc1cccc(-c2nc(=NC(=O)N3CC(C#N)C3)s[nH]2)c1 ZINC000590825423 355188401 /nfs/dbraw/zinc/18/84/01/355188401.db2.gz NQKSEYVXTGIPCA-UHFFFAOYSA-N 0 2 315.358 1.623 20 30 DDEDLN N#CCCCC[C@H](N)C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000594468510 356227992 /nfs/dbraw/zinc/22/79/92/356227992.db2.gz NRCGKCVMJURAOL-NSHDSACASA-N 0 2 316.390 1.372 20 30 DDEDLN N#CCC1CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000598034379 357434839 /nfs/dbraw/zinc/43/48/39/357434839.db2.gz UFSBVZQMUVEMRJ-UHFFFAOYSA-N 0 2 300.293 1.703 20 30 DDEDLN C[NH+](C)C[C@](C)(C#N)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602334405 358935427 /nfs/dbraw/zinc/93/54/27/358935427.db2.gz RFWZNAJCPJDGRT-WMZOPIPTSA-N 0 2 314.433 1.469 20 30 DDEDLN O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000330056999 223068863 /nfs/dbraw/zinc/06/88/63/223068863.db2.gz WSZFJUFMYFGMJU-VHSXEESVSA-N 0 2 316.317 1.542 20 30 DDEDLN N#C[C@@H](c1ccc(F)cc1)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000611551597 360756324 /nfs/dbraw/zinc/75/63/24/360756324.db2.gz MVQGGQRXCYZVFH-ZDUSSCGKSA-N 0 2 316.340 1.032 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1nnc(C2CC2)o1 ZINC000194737644 201280706 /nfs/dbraw/zinc/28/07/06/201280706.db2.gz QJANEESTOUNCIV-UHFFFAOYSA-N 0 2 304.331 1.928 20 30 DDEDLN N#Cc1cc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)ccn1 ZINC000619434120 364006622 /nfs/dbraw/zinc/00/66/22/364006622.db2.gz XGJOYBOOESSDHW-UHFFFAOYSA-N 0 2 307.269 1.549 20 30 DDEDLN COCCn1ccc(NS(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000619462657 364023665 /nfs/dbraw/zinc/02/36/65/364023665.db2.gz XSBSCKGBCFAVPB-UHFFFAOYSA-N 0 2 320.374 1.396 20 30 DDEDLN Cc1n[nH]c(CCNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000349751465 223395906 /nfs/dbraw/zinc/39/59/06/223395906.db2.gz VCUKLAZRGNLHIS-AWEZNQCLSA-N 0 2 308.345 1.026 20 30 DDEDLN CN(C)c1cccc(CCC(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000283001320 217380064 /nfs/dbraw/zinc/38/00/64/217380064.db2.gz RCGKXAVXQNFQKF-UHFFFAOYSA-N 0 2 308.345 1.790 20 30 DDEDLN C#Cc1cccc(/N=C2\S[C@@H](CC(=O)NC)C(=O)N2CC)c1 ZINC000171407772 407684066 /nfs/dbraw/zinc/68/40/66/407684066.db2.gz HCTAASAXTLRISG-VDMFXUGISA-N 0 2 315.398 1.755 20 30 DDEDLN C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000171341624 407663596 /nfs/dbraw/zinc/66/35/96/407663596.db2.gz ALSXJYNEEFWOLC-SNVBAGLBSA-N 0 2 317.374 1.922 20 30 DDEDLN COC(=O)C1(C/N=C/c2cc([N+](=O)[O-])ccc2O)CCOCC1 ZINC000272900596 408013692 /nfs/dbraw/zinc/01/36/92/408013692.db2.gz JXQIIUCJNKCZDK-CXUHLZMHSA-N 0 2 322.317 1.689 20 30 DDEDLN Cc1cccc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)c1C#N ZINC000137610579 408159956 /nfs/dbraw/zinc/15/99/56/408159956.db2.gz SSLWKQKSLKKTPG-UHFFFAOYSA-N 0 2 313.342 1.939 20 30 DDEDLN Cc1cccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c1C#N ZINC000137610579 408159960 /nfs/dbraw/zinc/15/99/60/408159960.db2.gz SSLWKQKSLKKTPG-UHFFFAOYSA-N 0 2 313.342 1.939 20 30 DDEDLN C=CC[C@@H](CO)NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194485781 408783761 /nfs/dbraw/zinc/78/37/61/408783761.db2.gz NXFXUPUJFCWLRJ-NSHDSACASA-N 0 2 321.764 1.898 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000408505908 164353701 /nfs/dbraw/zinc/35/37/01/164353701.db2.gz YXYYWAJLFSOCNL-IJLUTSLNSA-N 0 2 305.359 1.194 20 30 DDEDLN Cc1c(NS(=O)(=O)c2cncc(C#N)c2)cnn1CC(C)C ZINC000357082722 409854386 /nfs/dbraw/zinc/85/43/86/409854386.db2.gz PAUCBZAREYBDBW-UHFFFAOYSA-N 0 2 319.390 1.915 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@H](c2cccc(Cl)c2)N(C)C)c1C#N ZINC000357245729 409953382 /nfs/dbraw/zinc/95/33/82/409953382.db2.gz QPHHPRZENPHEBS-ZDUSSCGKSA-N 0 2 317.780 2.485 20 30 DDEDLN CCn1nccc1S(=O)(=O)Nc1cc(C#N)ccc1NC ZINC000350945155 410015865 /nfs/dbraw/zinc/01/58/65/410015865.db2.gz WRBKKYPXEQIOAC-UHFFFAOYSA-N 0 2 305.363 1.617 20 30 DDEDLN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000328862088 409997269 /nfs/dbraw/zinc/99/72/69/409997269.db2.gz LZBKDTBAAOECNN-NFAWXSAZSA-N 0 2 317.437 1.606 20 30 DDEDLN N#CCc1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)cc1 ZINC000329185776 410151172 /nfs/dbraw/zinc/15/11/72/410151172.db2.gz PPADIEDKXSTIJX-CYBMUJFWSA-N 0 2 311.345 1.944 20 30 DDEDLN CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)nc1 ZINC000358788154 410533321 /nfs/dbraw/zinc/53/33/21/410533321.db2.gz WDKKRPXTMDOSDU-UHFFFAOYSA-N 0 2 316.342 1.114 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@](C)(O)C2)cc1C#N ZINC000347616060 410633542 /nfs/dbraw/zinc/63/35/42/410633542.db2.gz FMHVCEMAHZVPEA-AWEZNQCLSA-N 0 2 307.375 1.368 20 30 DDEDLN CC[C@H](O)CCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000352384396 410651892 /nfs/dbraw/zinc/65/18/92/410651892.db2.gz XIUCWLZQBFZVPU-JTQLQIEISA-N 0 2 309.391 1.662 20 30 DDEDLN Cn1cc(C#N)cc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000356021723 410777483 /nfs/dbraw/zinc/77/74/83/410777483.db2.gz IUHKPTQTSIFXTQ-UHFFFAOYSA-N 0 2 308.301 1.640 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cccc(-n2cncn2)c1 ZINC000359722100 410834102 /nfs/dbraw/zinc/83/41/02/410834102.db2.gz FMKVRVXEJCNHGG-UHFFFAOYSA-N 0 2 319.328 1.992 20 30 DDEDLN CCCC/N=C1/NC(=O)[C@H](CC(=O)NCC(F)(F)F)S1 ZINC000195215812 222193465 /nfs/dbraw/zinc/19/34/65/222193465.db2.gz JKSGRQICRPZZQF-ZETCQYMHSA-N 0 2 311.329 1.443 20 30 DDEDLN N#CC(C(=O)c1ccc(C(N)=O)o1)c1cnc2ccccc2n1 ZINC000361520526 418668680 /nfs/dbraw/zinc/66/86/80/418668680.db2.gz UPZTYDWKTANETD-VIFPVBQESA-N 0 2 306.281 1.812 20 30 DDEDLN Cc1ccc(/C=C\C(=O)NS(=O)(=O)c2ccc(C#N)nc2)o1 ZINC000492693649 420631814 /nfs/dbraw/zinc/63/18/14/420631814.db2.gz ZHHZYEDEGRDVRM-ALCCZGGFSA-N 0 2 317.326 1.373 20 30 DDEDLN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000495559696 421024465 /nfs/dbraw/zinc/02/44/65/421024465.db2.gz XDPBFAAHPCVKKO-SNVBAGLBSA-N 0 2 316.321 1.101 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](CO)C2CCCC2)cc1C#N ZINC000359614001 269817323 /nfs/dbraw/zinc/81/73/23/269817323.db2.gz IJCGJACWYCHYAV-GFCCVEGCSA-N 0 2 321.402 1.662 20 30 DDEDLN CCc1ncc(S(=O)(=O)Nc2ncc(C#N)s2)s1 ZINC000613110188 422487884 /nfs/dbraw/zinc/48/78/84/422487884.db2.gz VEWAIBCIEFHYIG-UHFFFAOYSA-N 0 2 300.390 1.834 20 30 DDEDLN COC(=O)C(C)(C)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000349757004 266624802 /nfs/dbraw/zinc/62/48/02/266624802.db2.gz JCZFQOBQWWXYHG-UHFFFAOYSA-N 0 2 323.374 1.310 20 30 DDEDLN Cc1cc(C)cc(N2CCC(=C([O-])[NH+]=C3C[C@@H](C)ON3)C2=O)c1 ZINC000378313105 301226111 /nfs/dbraw/zinc/22/61/11/301226111.db2.gz YJGWQRKLDKNZNN-OCCSQVGLSA-N 0 2 315.373 1.895 20 30 DDEDLN N#Cc1cccc([N+](=O)[O-])c1N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000425250293 303205494 /nfs/dbraw/zinc/20/54/94/303205494.db2.gz FPAQYOILLLOTLW-JTQLQIEISA-N 0 2 314.305 1.674 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)c1 ZINC000582340202 326013900 /nfs/dbraw/zinc/01/39/00/326013900.db2.gz ZNGMRWWPECKFNZ-LLVKDONJSA-N 0 2 320.330 1.594 20 30 DDEDLN C=CCCOCCCCC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000567960163 341642848 /nfs/dbraw/zinc/64/28/48/341642848.db2.gz WERHHVDPTPOXJH-CYBMUJFWSA-N 0 2 322.409 1.979 20 30 DDEDLN C=CC[C@H](CO)CNC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000340921824 527170060 /nfs/dbraw/zinc/17/00/60/527170060.db2.gz SXPMMIBKFGROTQ-NSHDSACASA-N 0 2 318.402 1.933 20 30 DDEDLN C=C[C@@H](CO)NC(=O)c1cc(F)cc(Br)c1O ZINC000436930422 527439659 /nfs/dbraw/zinc/43/96/59/527439659.db2.gz HRKSIHMSQASDQX-ZETCQYMHSA-N 0 2 304.115 1.571 20 30 DDEDLN CN(C(=O)C[N@@H+]1CC[C@](F)(C(=O)[O-])C1)C1(C#N)CCCCC1 ZINC000830478173 601442089 /nfs/dbraw/zinc/44/20/89/601442089.db2.gz LLSOGSNIHVPERQ-OAHLLOKOSA-N 0 2 311.357 1.170 20 30 DDEDLN CN(C(=O)C[N@H+]1CC[C@](F)(C(=O)[O-])C1)C1(C#N)CCCCC1 ZINC000830478173 601442090 /nfs/dbraw/zinc/44/20/90/601442090.db2.gz LLSOGSNIHVPERQ-OAHLLOKOSA-N 0 2 311.357 1.170 20 30 DDEDLN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000738620846 602823301 /nfs/dbraw/zinc/82/33/01/602823301.db2.gz ZEGZENWATRIAFE-DOMZBBRYSA-N 0 2 310.398 1.115 20 30 DDEDLN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000738620846 602823303 /nfs/dbraw/zinc/82/33/03/602823303.db2.gz ZEGZENWATRIAFE-DOMZBBRYSA-N 0 2 310.398 1.115 20 30 DDEDLN C#CCC[NH+]1CCN(C(=O)c2ccc(NC(=O)[O-])cc2O)CC1 ZINC000738457753 602853957 /nfs/dbraw/zinc/85/39/57/602853957.db2.gz VYTUGYXCNYXKPH-UHFFFAOYSA-N 0 2 317.345 1.263 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000825352133 604599069 /nfs/dbraw/zinc/59/90/69/604599069.db2.gz QXOWJAAHUPAOPV-IUODEOHRSA-N 0 2 319.361 1.294 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000825352133 604599071 /nfs/dbraw/zinc/59/90/71/604599071.db2.gz QXOWJAAHUPAOPV-IUODEOHRSA-N 0 2 319.361 1.294 20 30 DDEDLN C=C[C@@H](CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-])c1ccccc1 ZINC000833370664 605078133 /nfs/dbraw/zinc/07/81/33/605078133.db2.gz FWQSEORMKUXHKK-WFASDCNBSA-N 0 2 313.357 1.882 20 30 DDEDLN C=C[C@@H](CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-])c1ccccc1 ZINC000833370664 605078137 /nfs/dbraw/zinc/07/81/37/605078137.db2.gz FWQSEORMKUXHKK-WFASDCNBSA-N 0 2 313.357 1.882 20 30 DDEDLN C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C(=O)[O-])[nH]2)c1 ZINC000833368318 605103265 /nfs/dbraw/zinc/10/32/65/605103265.db2.gz LCMABUWKUCNQFU-UHFFFAOYSA-N 0 2 311.341 1.765 20 30 DDEDLN C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C(=O)[O-])[nH]2)c1 ZINC000833368318 605103267 /nfs/dbraw/zinc/10/32/67/605103267.db2.gz LCMABUWKUCNQFU-UHFFFAOYSA-N 0 2 311.341 1.765 20 30 DDEDLN N#C[C@@H](NC(=O)C[NH+]1CCC(NC(=O)[O-])CC1)C1CCCCC1 ZINC000831070206 605765296 /nfs/dbraw/zinc/76/52/96/605765296.db2.gz GOFQQSVCJFBJRF-CQSZACIVSA-N 0 2 322.409 1.307 20 30 DDEDLN Cc1nc(-c2nn[nH]n2)c(N=NCc2cc(F)c(O)c(F)c2)o1 ZINC000822423544 606624293 /nfs/dbraw/zinc/62/42/93/606624293.db2.gz LOQMVRIROWLPEG-UHFFFAOYSA-N 0 2 321.247 1.593 20 30 DDEDLN CS(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000042279995 696147278 /nfs/dbraw/zinc/14/72/78/696147278.db2.gz AYCOOLCOCQYDOD-UHFFFAOYSA-N 0 2 310.291 1.045 20 30 DDEDLN O=c1[nH]ncc(NN=Cc2ccc([N+](=O)[O-])c(O)c2)c1Cl ZINC000748133691 700101272 /nfs/dbraw/zinc/10/12/72/700101272.db2.gz OLLQECBETKMTRY-UHFFFAOYSA-N 0 2 309.669 1.895 20 30 DDEDLN COC1CCC(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CC1 ZINC000134124658 696834125 /nfs/dbraw/zinc/83/41/25/696834125.db2.gz KJYQUHQLBBPHFV-BPCQOVAHSA-N 0 2 303.362 1.907 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1N[NH2+]C1=CC(=O)N2CCC[C@@H]12 ZINC000799482134 700144025 /nfs/dbraw/zinc/14/40/25/700144025.db2.gz IWPRLUAFSIQFPN-LBPRGKRZSA-N 0 2 303.318 1.556 20 30 DDEDLN N#Cc1ccc(N2CCC[C@@H](NC(=O)C(F)(F)F)C2=O)cc1 ZINC000781049487 698585754 /nfs/dbraw/zinc/58/57/54/698585754.db2.gz NBFOBGWBNKJMAU-LLVKDONJSA-N 0 2 311.263 1.732 20 30 DDEDLN C=CC/N=C1/NC(=O)C(CC(=O)Nc2cccc(O)c2)S1 ZINC000731357051 699527550 /nfs/dbraw/zinc/52/75/50/699527550.db2.gz AUHSILZIAYEKSY-NSHDSACASA-N 0 2 305.359 1.494 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2cnn(CC#N)c2)ccc1[N+](=O)[O-] ZINC000734416649 699649867 /nfs/dbraw/zinc/64/98/67/699649867.db2.gz YKIQLUKPJYGZSC-UHFFFAOYSA-N 0 2 321.318 1.424 20 30 DDEDLN C=CCOC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)C(=O)OC ZINC000794849350 699832815 /nfs/dbraw/zinc/83/28/15/699832815.db2.gz WJRYNKPDIKYMEK-AZZDOICSSA-N 0 2 308.290 1.464 20 30 DDEDLN C=CCOC[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)C(=O)OC ZINC000794849354 699832923 /nfs/dbraw/zinc/83/29/23/699832923.db2.gz WJRYNKPDIKYMEK-IYVNWDGISA-N 0 2 308.290 1.464 20 30 DDEDLN N#C[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccc(F)cc1 ZINC000742510414 699880481 /nfs/dbraw/zinc/88/04/81/699880481.db2.gz BXBFGAXCWCEHSZ-ZJUUUORDSA-N 0 2 306.322 1.063 20 30 DDEDLN CN(C)C(=O)CN(CC(F)(F)F)C(=O)C(F)C(F)(F)F ZINC000815066864 701792211 /nfs/dbraw/zinc/79/22/11/701792211.db2.gz HNBFKIMQRVACST-ZCFIWIBFSA-N 0 2 312.185 1.366 20 30 DDEDLN CN(C)C(=O)CN(CC(F)(F)F)C(=O)[C@@H](F)C(F)(F)F ZINC000815066864 701792214 /nfs/dbraw/zinc/79/22/14/701792214.db2.gz HNBFKIMQRVACST-ZCFIWIBFSA-N 0 2 312.185 1.366 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)CN3CCCCC3=O)nc21 ZINC000815962597 701977651 /nfs/dbraw/zinc/97/76/51/701977651.db2.gz VLKUCCZPELOADI-LLVKDONJSA-N 0 2 311.345 1.455 20 30 DDEDLN O=C(C(F)C(F)(F)F)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000811523094 701996568 /nfs/dbraw/zinc/99/65/68/701996568.db2.gz AMDVFOSCRCCWDU-VQVTYTSYSA-N 0 2 311.197 1.906 20 30 DDEDLN O=C([C@H](F)C(F)(F)F)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000811523094 701996574 /nfs/dbraw/zinc/99/65/74/701996574.db2.gz AMDVFOSCRCCWDU-VQVTYTSYSA-N 0 2 311.197 1.906 20 30 DDEDLN C#CCOc1ccccc1NS(=O)(=O)C[C@H](OC)C1CC1 ZINC000842590315 702737244 /nfs/dbraw/zinc/73/72/44/702737244.db2.gz XGNGFCTZGKBFHN-HNNXBMFYSA-N 0 2 309.387 1.865 20 30 DDEDLN C[C@@H]1CCCc2[nH+]cc(C([O-])=C(C#N)C(=O)c3nccn3C)n21 ZINC000845491621 703163899 /nfs/dbraw/zinc/16/38/99/703163899.db2.gz PBMZXXGTZSIGNV-MNOVXSKESA-N 0 2 311.345 1.719 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@H]1OCc2ccccc21 ZINC000847664897 703449920 /nfs/dbraw/zinc/44/99/20/703449920.db2.gz MMGAIZTUCNOMCZ-UKRRQHHQSA-N 0 2 309.325 1.973 20 30 DDEDLN N#CCCN1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000877748114 706197236 /nfs/dbraw/zinc/19/72/36/706197236.db2.gz RNQGPXVVVNGZFU-UHFFFAOYSA-N 0 2 324.768 1.985 20 30 DDEDLN C=C(Cl)C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(=O)[O-] ZINC000910265560 709849433 /nfs/dbraw/zinc/84/94/33/709849433.db2.gz HNTCITGYISAGOF-LBPRGKRZSA-N 0 2 321.764 1.897 20 30 DDEDLN C=CCCn1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2F)nn1 ZINC000901759348 710143495 /nfs/dbraw/zinc/14/34/95/710143495.db2.gz QNQAWLHIUDKFLY-UHFFFAOYSA-N 0 2 304.325 1.981 20 30 DDEDLN CNC(=O)CC1SC(=Nc2cnn(C)c2)N(C2CCC2)C1=O ZINC000906546498 712351204 /nfs/dbraw/zinc/35/12/04/712351204.db2.gz UJTKSZSTQMKTEH-LLVKDONJSA-N 0 2 321.406 1.040 20 30 DDEDLN CNC(=O)C[C@H]1SC(=Nc2cnn(C)c2)N(C2CCC2)C1=O ZINC000906546498 712351206 /nfs/dbraw/zinc/35/12/06/712351206.db2.gz UJTKSZSTQMKTEH-LLVKDONJSA-N 0 2 321.406 1.040 20 30 DDEDLN C=C1CCC(C(=O)N[C@H](C)C2CN(Cc3n[nH]c(=O)[nH]3)C2)CC1 ZINC000970375985 720735224 /nfs/dbraw/zinc/73/52/24/720735224.db2.gz JNAQDABZXIOKFL-LLVKDONJSA-N 0 2 319.409 1.193 20 30 DDEDLN CC(C)(C#N)c1ccc(NC(=O)C(CO)C(F)(F)F)cn1 ZINC001183278210 743806008 /nfs/dbraw/zinc/80/60/08/743806008.db2.gz GJXPXQYUPQLEKG-VIFPVBQESA-N 0 2 301.268 1.992 20 30 DDEDLN CC(C)(C#N)c1ccc(NC(=O)[C@H](CO)C(F)(F)F)cn1 ZINC001183278210 743806011 /nfs/dbraw/zinc/80/60/11/743806011.db2.gz GJXPXQYUPQLEKG-VIFPVBQESA-N 0 2 301.268 1.992 20 30 DDEDLN C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)C/C=C\Cl)C1 ZINC001190724968 745307006 /nfs/dbraw/zinc/30/70/06/745307006.db2.gz OIGYCMXLSPENQD-PYMSSDGJSA-N 0 2 309.841 1.369 20 30 DDEDLN Cc1nc(C(=O)Nc2c(C#N)cnnc2-c2ccccc2)no1 ZINC001191990656 745660088 /nfs/dbraw/zinc/66/00/88/745660088.db2.gz WWSBERGTXJYUJX-UHFFFAOYSA-N 0 2 306.285 1.959 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](Cc3n[nH]c(=O)[n-]3)[C@@H]2C)C1 ZINC000993786234 746325301 /nfs/dbraw/zinc/32/53/01/746325301.db2.gz FIHKXWUTEHDMNH-NEPJUHHUSA-N 0 2 319.409 1.336 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3n[nH]c(=O)[n-]3)[C@@H]2C)C1 ZINC000993786234 746325306 /nfs/dbraw/zinc/32/53/06/746325306.db2.gz FIHKXWUTEHDMNH-NEPJUHHUSA-N 0 2 319.409 1.336 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2n[nH]c3cccc(C#N)c32)[nH]n1 ZINC001194283105 746338256 /nfs/dbraw/zinc/33/82/56/746338256.db2.gz KLGDQSZPNGRSEZ-UHFFFAOYSA-N 0 2 310.273 1.197 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2n[nH]c3cccc(C#N)c32)n[nH]1 ZINC001194283105 746338262 /nfs/dbraw/zinc/33/82/62/746338262.db2.gz KLGDQSZPNGRSEZ-UHFFFAOYSA-N 0 2 310.273 1.197 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2cc(F)c(C#N)cc2OC)[nH]n1 ZINC001194288570 746344020 /nfs/dbraw/zinc/34/40/20/746344020.db2.gz IFHDIFHUEGGTSA-UHFFFAOYSA-N 0 2 318.264 1.468 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2cc(F)c(C#N)cc2OC)n[nH]1 ZINC001194288570 746344023 /nfs/dbraw/zinc/34/40/23/746344023.db2.gz IFHDIFHUEGGTSA-UHFFFAOYSA-N 0 2 318.264 1.468 20 30 DDEDLN CCOC(=O)CS(=O)(=O)Nc1cc(F)c(F)c(C#N)c1 ZINC001195975239 746744246 /nfs/dbraw/zinc/74/42/46/746744246.db2.gz ZHLCHKONRFSZGP-UHFFFAOYSA-N 0 2 304.274 1.141 20 30 DDEDLN C=C(Cl)C[N@H+]1CC=C(CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001000589157 761969317 /nfs/dbraw/zinc/96/93/17/761969317.db2.gz UPTUROYRKFVXAN-UHFFFAOYSA-N 0 2 310.785 1.538 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC=C(CNC(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001000589157 761969320 /nfs/dbraw/zinc/96/93/20/761969320.db2.gz UPTUROYRKFVXAN-UHFFFAOYSA-N 0 2 310.785 1.538 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]21 ZINC001084574295 757670257 /nfs/dbraw/zinc/67/02/57/757670257.db2.gz YYTHDOIRTVDNEK-VXGBXAGGSA-N 0 2 319.409 1.145 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)nc1)NC(=O)C(F)C(F)(F)F ZINC001108739578 762897549 /nfs/dbraw/zinc/89/75/49/762897549.db2.gz ISLDLKJIRUAFAV-OIBJUYFYSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)nc1)NC(=O)[C@@H](F)C(F)(F)F ZINC001108739578 762897555 /nfs/dbraw/zinc/89/75/55/762897555.db2.gz ISLDLKJIRUAFAV-OIBJUYFYSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nc1 ZINC001098328617 768291971 /nfs/dbraw/zinc/29/19/71/768291971.db2.gz ZEVJSVUEOAAVJW-XVKPBYJWSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ccc(C#N)nc1 ZINC001098328617 768291972 /nfs/dbraw/zinc/29/19/72/768291972.db2.gz ZEVJSVUEOAAVJW-XVKPBYJWSA-N 0 2 304.247 1.770 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001071806999 770105532 /nfs/dbraw/zinc/10/55/32/770105532.db2.gz LGETXIXTRKKDCV-NEPJUHHUSA-N 0 2 319.409 1.336 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001071806999 770105536 /nfs/dbraw/zinc/10/55/36/770105536.db2.gz LGETXIXTRKKDCV-NEPJUHHUSA-N 0 2 319.409 1.336 20 30 DDEDLN C=CC[N@@H+](CCc1ccccc1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001118315951 781090666 /nfs/dbraw/zinc/09/06/66/781090666.db2.gz KXWRDJNLZJVKEQ-CQSZACIVSA-N 0 2 323.414 1.602 20 30 DDEDLN C=CC[N@H+](CCc1ccccc1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC001118315951 781090672 /nfs/dbraw/zinc/09/06/72/781090672.db2.gz KXWRDJNLZJVKEQ-CQSZACIVSA-N 0 2 323.414 1.602 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccn(CC(F)F)n1 ZINC001411849033 853829156 /nfs/dbraw/zinc/82/91/56/853829156.db2.gz LOOSSDHMYLRUDA-UHFFFAOYSA-N 0 2 307.260 1.681 20 30 DDEDLN COC(=O)C1(C#N)CCN(C(=O)c2c(O)cc(F)cc2F)CC1 ZINC001412839116 855582599 /nfs/dbraw/zinc/58/25/99/855582599.db2.gz PHKRAFGHQZSDIV-UHFFFAOYSA-N 0 2 324.283 1.589 20 30 DDEDLN Cc1cnc([C@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C2CC2)s1 ZINC001412873165 855744998 /nfs/dbraw/zinc/74/49/98/855744998.db2.gz VTWQKEPDGQPGOF-SNVBAGLBSA-N 0 2 317.374 1.273 20 30 DDEDLN C=CC[C@@H](NC(=O)c1ccccc1C[NH+]1CCOCC1)C(=O)[O-] ZINC001333333180 866642132 /nfs/dbraw/zinc/64/21/32/866642132.db2.gz ZLXCFIVESJFBPY-OAHLLOKOSA-N 0 2 318.373 1.278 20 30 DDEDLN C=CCN(C)c1nnc(-c2n[nH]c(Cl)n2)n1C[C@H]1CCOC1 ZINC001345666416 873470610 /nfs/dbraw/zinc/47/06/10/873470610.db2.gz DXTZFJLIFPNEFL-SECBINFHSA-N 0 2 323.788 1.375 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208388695 874096447 /nfs/dbraw/zinc/09/64/47/874096447.db2.gz OQPOXDMLTIAWAZ-IJLUTSLNSA-N 0 2 307.398 1.049 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208388695 874096469 /nfs/dbraw/zinc/09/64/69/874096469.db2.gz OQPOXDMLTIAWAZ-IJLUTSLNSA-N 0 2 307.398 1.049 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001352093272 876594501 /nfs/dbraw/zinc/59/45/01/876594501.db2.gz HZRLHALHEGNTOH-IUCAKERBSA-N 0 2 305.773 1.749 20 30 DDEDLN Cn1c(=O)[nH]c(NCC[C@]2(C)CC2(Cl)Cl)c(C#N)c1=O ZINC001354214289 877811002 /nfs/dbraw/zinc/81/10/02/877811002.db2.gz WOIUZMSXRNNLKX-LLVKDONJSA-N 0 2 317.176 1.331 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc2c(c1)NC(=O)C2 ZINC001363390108 886202145 /nfs/dbraw/zinc/20/21/45/886202145.db2.gz UCTFJQXYBPAZJA-UHFFFAOYSA-N 0 2 308.297 1.714 20 30 DDEDLN C=CCn1cc(CNC(=O)c2cc(F)cc(Cl)c2O)nn1 ZINC001306857897 913431502 /nfs/dbraw/zinc/43/15/02/913431502.db2.gz FZAZYUPQWFIMKB-UHFFFAOYSA-N 0 2 310.716 1.892 20 30 DDEDLN C[C@H](C(=O)NC1CN(C(=O)C(F)C(F)(F)F)C1)C(F)(F)F ZINC001387787828 893862152 /nfs/dbraw/zinc/86/21/52/893862152.db2.gz AVIYZCFWKMZQRM-INEUFUBQSA-N 0 2 324.196 1.412 20 30 DDEDLN C[C@H](C(=O)NC1CN(C(=O)[C@@H](F)C(F)(F)F)C1)C(F)(F)F ZINC001387787828 893862169 /nfs/dbraw/zinc/86/21/69/893862169.db2.gz AVIYZCFWKMZQRM-INEUFUBQSA-N 0 2 324.196 1.412 20 30 DDEDLN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)C(F)C(F)(F)F ZINC001389379004 897074590 /nfs/dbraw/zinc/07/45/90/897074590.db2.gz DOUYPAJXDAJOCO-IMTBSYHQSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)NC(=O)[C@@H](F)C(F)(F)F ZINC001389379004 897074605 /nfs/dbraw/zinc/07/46/05/897074605.db2.gz DOUYPAJXDAJOCO-IMTBSYHQSA-N 0 2 320.246 1.021 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2)CCC1=O ZINC001259309707 898605137 /nfs/dbraw/zinc/60/51/37/898605137.db2.gz UMEJYOJGEIOHRT-QMMMGPOBSA-N 0 2 300.286 1.068 20 30 DDEDLN C[C@H](NC(=O)C(F)C(F)(F)F)C1CN(C(=O)C#CC2CC2)C1 ZINC001280635403 903871503 /nfs/dbraw/zinc/87/15/03/903871503.db2.gz HWQPXOZTCLFJOF-UFBFGSQYSA-N 0 2 320.286 1.263 20 30 DDEDLN C[C@H](NC(=O)[C@H](F)C(F)(F)F)C1CN(C(=O)C#CC2CC2)C1 ZINC001280635403 903871512 /nfs/dbraw/zinc/87/15/12/903871512.db2.gz HWQPXOZTCLFJOF-UFBFGSQYSA-N 0 2 320.286 1.263 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1(NC(=O)C(F)C(F)(F)F)CCCC1 ZINC001375296440 915507605 /nfs/dbraw/zinc/50/76/05/915507605.db2.gz UAUVTQLRIXJWGM-DTWKUNHWSA-N 0 2 323.290 1.592 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H](F)C(F)(F)F)CCCC1 ZINC001375296440 915507619 /nfs/dbraw/zinc/50/76/19/915507619.db2.gz UAUVTQLRIXJWGM-DTWKUNHWSA-N 0 2 323.290 1.592 20 30 DDEDLN C#CCn1ccc(CN(CC)C(=O)c2cc(C(C)=O)cn2C)n1 ZINC000278875509 214461818 /nfs/dbraw/zinc/46/18/18/214461818.db2.gz OARRMNAGAMYFAW-UHFFFAOYSA-N 0 2 312.373 1.720 20 30 DDEDLN CC(C)Oc1ccc(NS(=O)(=O)c2cnn(C)c2)cc1C#N ZINC000152645994 186093064 /nfs/dbraw/zinc/09/30/64/186093064.db2.gz CYBICWABNHSKAK-UHFFFAOYSA-N 0 2 320.374 1.880 20 30 DDEDLN CCn1ncc(C#N)c1NS(=O)(=O)C[C@H](OC)C(C)C ZINC000592385169 355572267 /nfs/dbraw/zinc/57/22/67/355572267.db2.gz PHCGQOHTQZOXDA-NSHDSACASA-N 0 2 300.384 1.187 20 30 DDEDLN C[C@@H](COCC(=O)Nc1nc(C#N)c(C#N)[nH]1)c1ccccc1 ZINC000593893930 356045317 /nfs/dbraw/zinc/04/53/17/356045317.db2.gz OWNAYEYGZWNBLX-NSHDSACASA-N 0 2 309.329 1.912 20 30 DDEDLN CC(C)(C)[C@H](C#N)NC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000597351050 357143929 /nfs/dbraw/zinc/14/39/29/357143929.db2.gz NXWJFKLHAJEOBC-NSHDSACASA-N 0 2 300.318 1.698 20 30 DDEDLN CO[C@]1(CNC(=O)c2cc(F)c(F)c(O)c2F)CCOC1 ZINC000330895150 223151878 /nfs/dbraw/zinc/15/18/78/223151878.db2.gz KKWRHKKINHCDSS-ZDUSSCGKSA-N 0 2 305.252 1.920 20 30 DDEDLN C#CCOc1ccc(C(=O)N[C@](C)(COC)C(=O)OC)cc1 ZINC000268113891 206465650 /nfs/dbraw/zinc/46/56/50/206465650.db2.gz JHNKTZZSXYTALB-MRXNPFEDSA-N 0 2 305.330 1.007 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@H](C)OC[C@@H]2C)cc1C#N ZINC000074523546 406914524 /nfs/dbraw/zinc/91/45/24/406914524.db2.gz ARYATEFOMFZQBZ-IUCAKERBSA-N 0 2 307.375 1.630 20 30 DDEDLN COCCn1cc(NS(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000048441156 407098146 /nfs/dbraw/zinc/09/81/46/407098146.db2.gz SQKGYEPOSRXEFX-UHFFFAOYSA-N 0 2 306.347 1.202 20 30 DDEDLN N#Cc1nc(NC(=O)CSCc2ccc(C#N)cc2)[nH]c1C#N ZINC000052557163 407152266 /nfs/dbraw/zinc/15/22/66/407152266.db2.gz KHKISNVRVWCMBM-UHFFFAOYSA-N 0 2 322.353 1.897 20 30 DDEDLN CCC(CC)[C@@H](O)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000111655122 407413458 /nfs/dbraw/zinc/41/34/58/407413458.db2.gz RLLMEBIPTGNMPP-LBPRGKRZSA-N 0 2 323.418 1.495 20 30 DDEDLN C=C(C)CN(CC)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000151605503 407461664 /nfs/dbraw/zinc/46/16/64/407461664.db2.gz KOUFRHZRLVOYPE-UHFFFAOYSA-N 0 2 302.334 1.370 20 30 DDEDLN C#CCNC(=O)c1ccccc1NS(=O)(=O)N1CCC[C@H]1C ZINC000185202701 408779611 /nfs/dbraw/zinc/77/96/11/408779611.db2.gz PCCMRWKUPGQKIH-GFCCVEGCSA-N 0 2 321.402 1.191 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)N(C)CCF)cc2[nH]c1=S ZINC000293996292 409222169 /nfs/dbraw/zinc/22/21/69/409222169.db2.gz WVFDJMZKHKZLQB-UHFFFAOYSA-N 0 2 321.377 1.913 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@H](O)C(C)(C)C2)cc1C#N ZINC000408265225 164279698 /nfs/dbraw/zinc/27/96/98/164279698.db2.gz JIGKDUMWOPMBMU-JTQLQIEISA-N 0 2 307.375 1.224 20 30 DDEDLN C=CCn1c(Cc2ccccc2OC)n[n-]c1=[NH+]c1cnn(C)c1 ZINC000350729391 409985534 /nfs/dbraw/zinc/98/55/34/409985534.db2.gz KUMQPKHMYOKPCS-UHFFFAOYSA-N 0 2 324.388 2.541 20 30 DDEDLN N#Cc1ccc(OCCn2cn[n-]c2=[NH+]c2cccnc2)cc1 ZINC000346374212 409948581 /nfs/dbraw/zinc/94/85/81/409948581.db2.gz NHGWFIZREBOUGU-UHFFFAOYSA-N 0 2 306.329 2.367 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2ccc(-c3cncnc3)cc2F)c1C#N ZINC000357233551 409948920 /nfs/dbraw/zinc/94/89/20/409948920.db2.gz QULNLIJKDIIQGR-UHFFFAOYSA-N 0 2 322.303 2.438 20 30 DDEDLN N#CCCn1ccc(=NC(=O)c2cc(O)ccc2[N+](=O)[O-])[nH]1 ZINC000352990381 410721681 /nfs/dbraw/zinc/72/16/81/410721681.db2.gz UELFMPCWTKLDKU-UHFFFAOYSA-N 0 2 301.262 1.663 20 30 DDEDLN COc1cc(OC)cc(S(=O)(=O)Nc2cc(C#N)ccn2)c1 ZINC000352882473 410685090 /nfs/dbraw/zinc/68/50/90/410685090.db2.gz JINRRYBEHWPFFH-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN Cn1ncc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c1C#N ZINC000355813810 410685640 /nfs/dbraw/zinc/68/56/40/410685640.db2.gz PGXZVJHCPVTALW-UHFFFAOYSA-N 0 2 316.371 1.546 20 30 DDEDLN Cn1ncc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)c1C#N ZINC000356006577 410772135 /nfs/dbraw/zinc/77/21/35/410772135.db2.gz NLLNBGVCRFWUCK-UHFFFAOYSA-N 0 2 309.289 1.035 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)NCC(C)(C)C#N)=N2)cc1 ZINC000359656432 410799280 /nfs/dbraw/zinc/79/92/80/410799280.db2.gz WPGZWRUKTCVVII-UHFFFAOYSA-N 0 2 314.345 1.866 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cn(-c2ccccc2)nn1 ZINC000359714767 410832994 /nfs/dbraw/zinc/83/29/94/410832994.db2.gz IAKRKQBCJMJXKP-UHFFFAOYSA-N 0 2 319.328 1.992 20 30 DDEDLN CC(C)CCn1cc(C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)nn1 ZINC000359719816 410834864 /nfs/dbraw/zinc/83/48/64/410834864.db2.gz SYPKWQGXCMMHMT-UHFFFAOYSA-N 0 2 313.365 2.049 20 30 DDEDLN CC(C)(C)c1[nH]n(CC(=O)N2CCCC2)c(=O)c1CCC#N ZINC000153493883 221639296 /nfs/dbraw/zinc/63/92/96/221639296.db2.gz RKDGYDLKSISVAO-UHFFFAOYSA-N 0 2 304.394 1.965 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccn(C(C)C)n2)cc1C#N ZINC000361307495 418622382 /nfs/dbraw/zinc/62/23/82/418622382.db2.gz AWHOPCUTMJNTFV-UHFFFAOYSA-N 0 2 317.374 2.410 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1cnn(C)c1C ZINC000427197211 419617204 /nfs/dbraw/zinc/61/72/04/419617204.db2.gz BPXVFEFXAJVVPZ-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN N#Cc1nc(NC(=O)c2cccc(C(=O)NC3CC3)c2)[nH]c1C#N ZINC000440310552 420566545 /nfs/dbraw/zinc/56/65/45/420566545.db2.gz YCCVPJQKKXIWFI-UHFFFAOYSA-N 0 2 320.312 1.298 20 30 DDEDLN COc1cccnc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000562374812 421359438 /nfs/dbraw/zinc/35/94/38/421359438.db2.gz KSLQDVNYWVAAIL-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN Cc1cc([C@@H](C#N)C(=O)c2cncc(N3CCCC3)n2)nc(C)n1 ZINC000633900272 422140966 /nfs/dbraw/zinc/14/09/66/422140966.db2.gz OQBDCRFEBZBGIP-CYBMUJFWSA-N 0 2 322.372 1.974 20 30 DDEDLN N#Cc1ccc(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000367367796 268112519 /nfs/dbraw/zinc/11/25/19/268112519.db2.gz NHMSFTVMRUHJLF-SNVBAGLBSA-N 0 2 314.305 1.674 20 30 DDEDLN N#Cc1nc(NC(=O)COc2cc(F)cc(F)c2)[nH]c1C#N ZINC000352609600 268324092 /nfs/dbraw/zinc/32/40/92/268324092.db2.gz JCJLFEQVDSKVHJ-UHFFFAOYSA-N 0 2 303.228 1.449 20 30 DDEDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000342382426 271397403 /nfs/dbraw/zinc/39/74/03/271397403.db2.gz XXBDCLFTMBCJJA-UHFFFAOYSA-N 0 2 317.330 1.107 20 30 DDEDLN CCc1cc(NS(=O)(=O)c2ccc(C#N)cc2F)n(C)n1 ZINC000125512212 281209939 /nfs/dbraw/zinc/20/99/39/281209939.db2.gz POONAHGAYIJIGP-UHFFFAOYSA-N 0 2 308.338 1.794 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[nH]2)s1 ZINC000333481516 303188190 /nfs/dbraw/zinc/18/81/90/303188190.db2.gz FPMRKPMQGKBCPS-VIFPVBQESA-N 0 2 303.347 1.811 20 30 DDEDLN Cc1[nH]nc(NC(=O)c2ccc(Br)cc2O)c1C#N ZINC000436933237 484127798 /nfs/dbraw/zinc/12/77/98/484127798.db2.gz PRCGAASRLFBGFO-UHFFFAOYSA-N 0 2 321.134 2.310 20 30 DDEDLN CC(C)(CCO)CNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000331242194 527050714 /nfs/dbraw/zinc/05/07/14/527050714.db2.gz KLCFUCVGRVZBJF-UHFFFAOYSA-N 0 2 300.428 1.992 20 30 DDEDLN C#C[C@H](C)N(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000491326240 527328568 /nfs/dbraw/zinc/32/85/68/527328568.db2.gz LHUOENIILAORBI-JTQLQIEISA-N 0 2 315.398 1.799 20 30 DDEDLN C[C@@H]1CCN(C(=O)[C@@](C)(C#N)CC(=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000820238475 597655904 /nfs/dbraw/zinc/65/59/04/597655904.db2.gz QJYZPBFOCRORMZ-TYNCELHUSA-N 0 2 304.350 1.297 20 30 DDEDLN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC(=O)[O-])c1 ZINC000820968000 598043096 /nfs/dbraw/zinc/04/30/96/598043096.db2.gz CMRUSOZBBIZOCW-AWEZNQCLSA-N 0 2 317.389 1.955 20 30 DDEDLN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC(=O)[O-])c1 ZINC000820968000 598043100 /nfs/dbraw/zinc/04/31/00/598043100.db2.gz CMRUSOZBBIZOCW-AWEZNQCLSA-N 0 2 317.389 1.955 20 30 DDEDLN CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000737078432 599781520 /nfs/dbraw/zinc/78/15/20/599781520.db2.gz LXGHSTURAOOTRU-DOMZBBRYSA-N 0 2 303.362 1.410 20 30 DDEDLN Cc1oc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)cc1C(=O)[O-] ZINC000738978825 600318670 /nfs/dbraw/zinc/31/86/70/600318670.db2.gz KLYFDPXVJUZJAV-OAHLLOKOSA-N 0 2 305.378 1.952 20 30 DDEDLN C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000823721849 603799351 /nfs/dbraw/zinc/79/93/51/603799351.db2.gz AHZAZNGUASLUNP-YPMHNXCESA-N 0 2 316.361 1.569 20 30 DDEDLN C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000823721849 603799355 /nfs/dbraw/zinc/79/93/55/603799355.db2.gz AHZAZNGUASLUNP-YPMHNXCESA-N 0 2 316.361 1.569 20 30 DDEDLN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000823715331 603837930 /nfs/dbraw/zinc/83/79/30/603837930.db2.gz RWNIVMOBDQZJCC-FZMZJTMJSA-N 0 2 316.361 1.569 20 30 DDEDLN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000823715331 603837931 /nfs/dbraw/zinc/83/79/31/603837931.db2.gz RWNIVMOBDQZJCC-FZMZJTMJSA-N 0 2 316.361 1.569 20 30 DDEDLN C=CC[N@@H+](Cc1ccccc1CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833376496 605075468 /nfs/dbraw/zinc/07/54/68/605075468.db2.gz XFXJFJYVIRLWRY-HNNXBMFYSA-N 0 2 323.414 1.489 20 30 DDEDLN C=CC[N@H+](Cc1ccccc1CC(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833376496 605075474 /nfs/dbraw/zinc/07/54/74/605075474.db2.gz XFXJFJYVIRLWRY-HNNXBMFYSA-N 0 2 323.414 1.489 20 30 DDEDLN C#CCOc1ccc(C[NH+]2CC(n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000833366503 605555887 /nfs/dbraw/zinc/55/58/87/605555887.db2.gz AIAUGTCRSOLPQL-UHFFFAOYSA-N 0 2 312.329 1.045 20 30 DDEDLN COc1cc(C)nc(N=NCc2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000747634435 700079014 /nfs/dbraw/zinc/07/90/14/700079014.db2.gz HISVSEOTGICUCF-UHFFFAOYSA-N 0 2 303.278 1.853 20 30 DDEDLN C#CCNC(=O)C1CCN(C(=O)c2c(O)cc(F)cc2F)CC1 ZINC000747880649 700090950 /nfs/dbraw/zinc/09/09/50/700090950.db2.gz WGRMLWUJUZXZEX-UHFFFAOYSA-N 0 2 322.311 1.272 20 30 DDEDLN C#CCC[N@H+]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000981483062 697108001 /nfs/dbraw/zinc/10/80/01/697108001.db2.gz DMAUTOJBMCNCKQ-HNNXBMFYSA-N 0 2 300.406 1.003 20 30 DDEDLN Cc1csc([C@H](C#N)C(=O)CCN2CCCS2(=O)=O)n1 ZINC000194165011 697695664 /nfs/dbraw/zinc/69/56/64/697695664.db2.gz JBKSXBNHMBYNON-SNVBAGLBSA-N 0 2 313.404 1.053 20 30 DDEDLN C#C[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)[C@H]1CCCO1 ZINC000775339981 697984953 /nfs/dbraw/zinc/98/49/53/697984953.db2.gz LJPIOKVPUGDAKH-DZGCQCFKSA-N 0 2 311.341 1.489 20 30 DDEDLN C#C[C@@H](NC(=O)c1c[nH]c2nc(C)ccc2c1=O)[C@@H]1CCCO1 ZINC000776271110 698090342 /nfs/dbraw/zinc/09/03/42/698090342.db2.gz YHYIUQCIIZSODB-KGLIPLIRSA-N 0 2 311.341 1.554 20 30 DDEDLN COC(=O)N1CCC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000726430173 699362670 /nfs/dbraw/zinc/36/26/70/699362670.db2.gz WSDRKLPUAYAEGQ-OXFWXOROSA-N 0 2 307.306 1.950 20 30 DDEDLN Cc1cccc2[nH]c([C@@H](C#N)C(=O)Cn3cc([N+](=O)[O-])cn3)nc21 ZINC000735793108 699702975 /nfs/dbraw/zinc/70/29/75/699702975.db2.gz QEVUPDIIGVZFQU-NSHDSACASA-N 0 2 324.300 1.853 20 30 DDEDLN Cc1cccc2nc([C@@H](C#N)C(=O)Cn3cc([N+](=O)[O-])cn3)[nH]c21 ZINC000735793108 699702977 /nfs/dbraw/zinc/70/29/77/699702977.db2.gz QEVUPDIIGVZFQU-NSHDSACASA-N 0 2 324.300 1.853 20 30 DDEDLN N#CC(C(=O)[C@H]1CCCN1C(=O)C(F)(F)F)c1ccncn1 ZINC000816019279 701992285 /nfs/dbraw/zinc/99/22/85/701992285.db2.gz FXNCJBLPPLGISO-WCBMZHEXSA-N 0 2 312.251 1.206 20 30 DDEDLN CCS(=O)(=O)CCC/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000840713085 702218284 /nfs/dbraw/zinc/21/82/84/702218284.db2.gz PEAPVZCJGFUMTN-UKTHLTGXSA-N 0 2 300.336 1.544 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1ccc2c(c1)CCCO2 ZINC000842740992 702765765 /nfs/dbraw/zinc/76/57/65/702765765.db2.gz ZNOOKKKPOKXBMP-CQSZACIVSA-N 0 2 323.352 1.879 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000860612815 705235463 /nfs/dbraw/zinc/23/54/63/705235463.db2.gz KRQPUZPJFCTFHJ-APIJFGDWSA-N 0 2 305.337 1.898 20 30 DDEDLN CCc1nn(C)cc1S(=O)(=O)Nc1ccc(OC)c(C#N)c1 ZINC000882769801 707785836 /nfs/dbraw/zinc/78/58/36/707785836.db2.gz MUQWBBFUAMHLAG-UHFFFAOYSA-N 0 2 320.374 1.664 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000965917612 717813968 /nfs/dbraw/zinc/81/39/68/717813968.db2.gz XWWDMMXFGSCGOS-LDYMZIIASA-N 0 2 312.801 1.616 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000965917612 717813970 /nfs/dbraw/zinc/81/39/70/717813970.db2.gz XWWDMMXFGSCGOS-LDYMZIIASA-N 0 2 312.801 1.616 20 30 DDEDLN CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447741 735243610 /nfs/dbraw/zinc/24/36/10/735243610.db2.gz VHJKMMQDFHALGL-HZPDHXFCSA-N 0 2 314.433 1.297 20 30 DDEDLN C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001024734275 736055548 /nfs/dbraw/zinc/05/55/48/736055548.db2.gz UQWFDJRIOZKSJQ-KRWDZBQOSA-N 0 2 323.400 1.485 20 30 DDEDLN C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1[nH]nc(C)c1[O-] ZINC001025220235 736370470 /nfs/dbraw/zinc/37/04/70/736370470.db2.gz CKZBYRSLNLITEL-KGLIPLIRSA-N 0 2 316.405 1.516 20 30 DDEDLN C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1[nH]nc(C)c1[O-] ZINC001025220235 736370475 /nfs/dbraw/zinc/37/04/75/736370475.db2.gz CKZBYRSLNLITEL-KGLIPLIRSA-N 0 2 316.405 1.516 20 30 DDEDLN Cn1cnc(NS(=O)(=O)Cc2cccc(F)c2F)c1C#N ZINC001189426222 744894284 /nfs/dbraw/zinc/89/42/84/744894284.db2.gz QNCYULKTDWGEDG-UHFFFAOYSA-N 0 2 312.301 1.512 20 30 DDEDLN C=CCC1(S(=O)(=O)Nc2c(C#N)cnc3ccnn32)CC1 ZINC001190773128 745326604 /nfs/dbraw/zinc/32/66/04/745326604.db2.gz UCWWWXFSWILFBS-UHFFFAOYSA-N 0 2 303.347 1.451 20 30 DDEDLN CCOc1ccc(C)cc1S(=O)(=O)Nc1cn(C)nc1C#N ZINC001191788067 745610967 /nfs/dbraw/zinc/61/09/67/745610967.db2.gz KFKXKMPWUGQJBJ-UHFFFAOYSA-N 0 2 320.374 1.800 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C ZINC000993216302 745865858 /nfs/dbraw/zinc/86/58/58/745865858.db2.gz HDZVXKBMSHMGBY-GHMZBOCLSA-N 0 2 312.801 1.759 20 30 DDEDLN C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@H]1C ZINC000993216302 745865865 /nfs/dbraw/zinc/86/58/65/745865865.db2.gz HDZVXKBMSHMGBY-GHMZBOCLSA-N 0 2 312.801 1.759 20 30 DDEDLN N=C(c1ccccc1N)N(O)C(=O)c1cc(Br)[nH]n1 ZINC001193294987 746051899 /nfs/dbraw/zinc/05/18/99/746051899.db2.gz TWGOVIZCVXIDJN-UHFFFAOYSA-N 0 2 324.138 1.611 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)Cc2noc3ccccc32)CCC1=O ZINC001194077599 746272582 /nfs/dbraw/zinc/27/25/82/746272582.db2.gz YCSMQUFMDQRFDV-JTQLQIEISA-N 0 2 319.342 1.072 20 30 DDEDLN COc1ccc(C(=NC(=O)c2nc(C)ccc2O)NO)nc1 ZINC001195332435 746588329 /nfs/dbraw/zinc/58/83/29/746588329.db2.gz TXNLZKDNOMUTIN-UHFFFAOYSA-N 0 2 302.290 1.065 20 30 DDEDLN CC(C)(C)n1ncc(C#N)c1NS(=O)(=O)Cc1ccccn1 ZINC001197782095 747263096 /nfs/dbraw/zinc/26/30/96/747263096.db2.gz BDIXQDISLPRVHU-UHFFFAOYSA-N 0 2 319.390 1.847 20 30 DDEDLN O=C(NCCNCC(F)(F)C(F)F)C(F)C(F)(F)F ZINC001127737524 749635381 /nfs/dbraw/zinc/63/53/81/749635381.db2.gz QFBQUYYYJBQSKS-SCSAIBSYSA-N 0 2 302.165 1.493 20 30 DDEDLN O=C(NCCNCC(F)(F)C(F)F)[C@@H](F)C(F)(F)F ZINC001127737524 749635383 /nfs/dbraw/zinc/63/53/83/749635383.db2.gz QFBQUYYYJBQSKS-SCSAIBSYSA-N 0 2 302.165 1.493 20 30 DDEDLN CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033912688 750089790 /nfs/dbraw/zinc/08/97/90/750089790.db2.gz KSBRQRQBFHAVCT-HNNXBMFYSA-N 0 2 302.422 1.922 20 30 DDEDLN N#Cc1ccc(NC/C=C\CNC(=O)C(F)C(F)(F)F)nn1 ZINC001107562394 750140622 /nfs/dbraw/zinc/14/06/22/750140622.db2.gz WYTQTGMRQWHUMG-SYBPUXJVSA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1ccc(NC/C=C\CNC(=O)[C@H](F)C(F)(F)F)nn1 ZINC001107562394 750140625 /nfs/dbraw/zinc/14/06/25/750140625.db2.gz WYTQTGMRQWHUMG-SYBPUXJVSA-N 0 2 317.246 1.333 20 30 DDEDLN CC#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000997147681 750565045 /nfs/dbraw/zinc/56/50/45/750565045.db2.gz RMVAGJRYHOYOJQ-FVQBIDKESA-N 0 2 314.433 1.753 20 30 DDEDLN C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000997624953 751164744 /nfs/dbraw/zinc/16/47/44/751164744.db2.gz AOZIKLDQQDBORF-NWANDNLSSA-N 0 2 300.406 1.363 20 30 DDEDLN C[C@H](CNc1cncc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001108171039 753356403 /nfs/dbraw/zinc/35/64/03/753356403.db2.gz XNQXCKXHFQQBAU-HZGVNTEJSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNc1cncc(C#N)n1)NC(=O)[C@@H](F)C(F)(F)F ZINC001108171039 753356411 /nfs/dbraw/zinc/35/64/11/753356411.db2.gz XNQXCKXHFQQBAU-HZGVNTEJSA-N 0 2 305.235 1.165 20 30 DDEDLN N#CCN1CC[C@@]2(C1)CCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001054136036 759211630 /nfs/dbraw/zinc/21/16/30/759211630.db2.gz NVDYHIAQRLMACE-ZYHUDNBSSA-N 0 2 307.291 1.725 20 30 DDEDLN N#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001054136036 759211634 /nfs/dbraw/zinc/21/16/34/759211634.db2.gz NVDYHIAQRLMACE-ZYHUDNBSSA-N 0 2 307.291 1.725 20 30 DDEDLN C#CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C2 ZINC001109824607 764095175 /nfs/dbraw/zinc/09/51/75/764095175.db2.gz FNLXWGYFRDKJDA-OJLVUWQFSA-N 0 2 300.406 1.333 20 30 DDEDLN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132072776 768607102 /nfs/dbraw/zinc/60/71/02/768607102.db2.gz OJZNEDUEKKEAPH-VXGBXAGGSA-N 0 2 307.398 1.336 20 30 DDEDLN C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132072776 768607106 /nfs/dbraw/zinc/60/71/06/768607106.db2.gz OJZNEDUEKKEAPH-VXGBXAGGSA-N 0 2 307.398 1.336 20 30 DDEDLN O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001070841878 768752415 /nfs/dbraw/zinc/75/24/15/768752415.db2.gz YDCPBTPWFPWBTB-ZYHUDNBSSA-N 0 2 320.286 1.407 20 30 DDEDLN O=C(C#CC1CC1)N[C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001070841878 768752416 /nfs/dbraw/zinc/75/24/16/768752416.db2.gz YDCPBTPWFPWBTB-ZYHUDNBSSA-N 0 2 320.286 1.407 20 30 DDEDLN CC[C@H](CNC(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001103340395 778800920 /nfs/dbraw/zinc/80/09/20/778800920.db2.gz CBBXQSUXKDZTQX-VXNVDRBHSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001103340395 778800927 /nfs/dbraw/zinc/80/09/27/778800927.db2.gz CBBXQSUXKDZTQX-VXNVDRBHSA-N 0 2 319.262 1.555 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001269269194 841447254 /nfs/dbraw/zinc/44/72/54/841447254.db2.gz VKLJVUXAIIXSFB-RYUDHWBXSA-N 0 2 307.398 1.145 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001269269194 841447259 /nfs/dbraw/zinc/44/72/59/841447259.db2.gz VKLJVUXAIIXSFB-RYUDHWBXSA-N 0 2 307.398 1.145 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCCCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001005516097 848038160 /nfs/dbraw/zinc/03/81/60/848038160.db2.gz APGROCUVXBXCJY-MNOVXSKESA-N 0 2 321.356 1.209 20 30 DDEDLN C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001034213555 848120220 /nfs/dbraw/zinc/12/02/20/848120220.db2.gz ZPNWZEAUDMYPCR-GJZGRUSLSA-N 0 2 302.422 1.986 20 30 DDEDLN C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001034213553 848120274 /nfs/dbraw/zinc/12/02/74/848120274.db2.gz ZPNWZEAUDMYPCR-CABCVRRESA-N 0 2 302.422 1.986 20 30 DDEDLN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)C(=O)C(F)C(F)(F)F ZINC001334266380 867439498 /nfs/dbraw/zinc/43/94/98/867439498.db2.gz WKMLHXAHFHTCMB-KOLCDFICSA-N 0 2 324.318 1.899 20 30 DDEDLN C[C@H](CNC(=O)C#CC(C)(C)C)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001334266380 867439504 /nfs/dbraw/zinc/43/95/04/867439504.db2.gz WKMLHXAHFHTCMB-KOLCDFICSA-N 0 2 324.318 1.899 20 30 DDEDLN Cn1ncc2cc(S(=O)(=O)Nc3ccc(C#N)cn3)cnc21 ZINC001343004445 872465557 /nfs/dbraw/zinc/46/55/57/872465557.db2.gz ITUSRACMUFVJBA-UHFFFAOYSA-N 0 2 314.330 1.036 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCc1ccc2c(c1)CCO2 ZINC001343310881 872573115 /nfs/dbraw/zinc/57/31/15/872573115.db2.gz CONYDJUZHYRIPG-CQSZACIVSA-N 0 2 323.352 1.879 20 30 DDEDLN Cc1cc(N2CCOCC2)ccc1NC(=NO)c1nonc1N ZINC001213554203 875977367 /nfs/dbraw/zinc/97/73/67/875977367.db2.gz BQUHAIRAQDIYMU-UHFFFAOYSA-N 0 2 318.337 1.045 20 30 DDEDLN C[C@H](CN(C)C(=O)C(F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001287636452 912365402 /nfs/dbraw/zinc/36/54/02/912365402.db2.gz DZVKEEZBDAKUKP-MWLCHTKSSA-N 0 2 324.318 1.899 20 30 DDEDLN C[C@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001287636452 912365419 /nfs/dbraw/zinc/36/54/19/912365419.db2.gz DZVKEEZBDAKUKP-MWLCHTKSSA-N 0 2 324.318 1.899 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c(F)c1 ZINC001362386158 883692008 /nfs/dbraw/zinc/69/20/08/883692008.db2.gz OQZMMCZMBPPIAX-JTQLQIEISA-N 0 2 315.308 1.541 20 30 DDEDLN CN(c1[nH]c(=O)n(C)c(=O)c1C#N)C1CC(C)(C)CC(C)(C)C1 ZINC001364565512 888938004 /nfs/dbraw/zinc/93/80/04/888938004.db2.gz CNJPSFLVLWIRPS-UHFFFAOYSA-N 0 2 318.421 1.986 20 30 DDEDLN N#Cc1cc(-c2ccc([P@](=O)([O-])O)cc2)cc(C2C[NH2+]C2)c1 ZINC001240360930 890915556 /nfs/dbraw/zinc/91/55/56/890915556.db2.gz JVCDPHNGXZTVRA-UHFFFAOYSA-N 0 2 314.281 1.715 20 30 DDEDLN N#Cc1cc(-c2ccc([P@@](=O)([O-])O)cc2)cc(C2C[NH2+]C2)c1 ZINC001240360930 890915563 /nfs/dbraw/zinc/91/55/63/890915563.db2.gz JVCDPHNGXZTVRA-UHFFFAOYSA-N 0 2 314.281 1.715 20 30 DDEDLN COC(=O)c1cncc(-c2cc(=O)n(-c3ccc(C#N)nc3)[nH]2)c1 ZINC001245947066 892283010 /nfs/dbraw/zinc/28/30/10/892283010.db2.gz ZDJGNCLZQRVEID-UHFFFAOYSA-N 0 2 321.296 1.693 20 30 DDEDLN COC(=O)c1ncccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC001258036249 898029424 /nfs/dbraw/zinc/02/94/24/898029424.db2.gz QXYOVFKMQDOFGU-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN COc1ccc(C)cc1S(=O)(=O)Nc1cn(C)nc1C#N ZINC001260292519 899114777 /nfs/dbraw/zinc/11/47/77/899114777.db2.gz IGOADQPWHZDPQT-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN COC(=O)[C@@H](C)CN(C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000063748467 352923594 /nfs/dbraw/zinc/92/35/94/352923594.db2.gz QTVJVNOSCKOREY-QMMMGPOBSA-N 0 2 323.374 1.262 20 30 DDEDLN CN(CC(C)(C)C#N)C(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000597694645 357288738 /nfs/dbraw/zinc/28/87/38/357288738.db2.gz HVGLVQXBWSWWFO-UHFFFAOYSA-N 0 2 300.318 1.652 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC(OC(C)C)C2)cc1C#N ZINC000602197194 358877516 /nfs/dbraw/zinc/87/75/16/358877516.db2.gz YQGNKTRAFQIFKI-UHFFFAOYSA-N 0 2 307.375 1.630 20 30 DDEDLN N#CCc1cccc(NS(=O)(=O)c2cnn3c2OCCC3)c1 ZINC000603419087 359628313 /nfs/dbraw/zinc/62/83/13/359628313.db2.gz XIEVVFZALVWEJC-UHFFFAOYSA-N 0 2 318.358 1.532 20 30 DDEDLN CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)[C@H](C)C#N)C2)o1 ZINC000610726854 360518306 /nfs/dbraw/zinc/51/83/06/360518306.db2.gz RUQPSCUREWYOSX-OLZOCXBDSA-N 0 2 304.394 1.990 20 30 DDEDLN COc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)nn1C ZINC000358002160 223486932 /nfs/dbraw/zinc/48/69/32/223486932.db2.gz SWTLHUZAGPWMMP-SNVBAGLBSA-N 0 2 314.349 1.237 20 30 DDEDLN COCc1nc(C)c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)s1 ZINC000340507307 251088148 /nfs/dbraw/zinc/08/81/48/251088148.db2.gz WJKUPCLUZQUMAH-UHFFFAOYSA-N 0 2 302.319 1.317 20 30 DDEDLN N#Cc1nc(NC(=O)c2cn(Cc3ccccc3)nn2)[nH]c1C#N ZINC000026267693 406903716 /nfs/dbraw/zinc/90/37/16/406903716.db2.gz HCOJXSSSGFDXIQ-UHFFFAOYSA-N 0 2 318.300 1.045 20 30 DDEDLN Cc1nn(-c2ccccc2)cc1C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000102467549 407323059 /nfs/dbraw/zinc/32/30/59/407323059.db2.gz OZIFBEKSVBZSAO-UHFFFAOYSA-N 0 2 317.312 1.899 20 30 DDEDLN Cc1cc(NS(=O)(=O)C[C@H]2CCCCO2)nn1CCC#N ZINC000271067640 407496008 /nfs/dbraw/zinc/49/60/08/407496008.db2.gz NDXDBIDFHIHAPW-GFCCVEGCSA-N 0 2 312.395 1.416 20 30 DDEDLN C=C(C)COCCNC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000119646326 408102624 /nfs/dbraw/zinc/10/26/24/408102624.db2.gz LOBYGGDDASFMDT-UHFFFAOYSA-N 0 2 301.346 1.966 20 30 DDEDLN CC(=O)N1CCC[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000281265278 408876824 /nfs/dbraw/zinc/87/68/24/408876824.db2.gz WRKIYOGUNNXDAH-RGZVIEDOSA-N 0 2 305.334 1.978 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc3ccccc3[nH]c2=O)[nH]c1C#N ZINC000192671877 163232069 /nfs/dbraw/zinc/23/20/69/163232069.db2.gz BQDAZEQDVIHKFK-UHFFFAOYSA-N 0 2 304.269 1.247 20 30 DDEDLN C=CCC(F)(F)C(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000292896971 409045738 /nfs/dbraw/zinc/04/57/38/409045738.db2.gz XEJUYVLOYBHHFD-UHFFFAOYSA-N 0 2 301.293 1.484 20 30 DDEDLN COCCn1cc(NS(=O)(=O)c2ccccc2CC#N)cn1 ZINC000280031386 409255204 /nfs/dbraw/zinc/25/52/04/409255204.db2.gz VYJLAUBIDIKPHI-UHFFFAOYSA-N 0 2 320.374 1.396 20 30 DDEDLN C[C@H]1CCCC[C@@H]1CC(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408489430 164347613 /nfs/dbraw/zinc/34/76/13/164347613.db2.gz SKGXVKIDWOKDAX-WCQYABFASA-N 0 2 321.402 1.975 20 30 DDEDLN CCc1c(C(=O)N=c2[nH][nH]c(C)c2C#N)cnn1CC(C)C ZINC000357157131 409909807 /nfs/dbraw/zinc/90/98/07/409909807.db2.gz MCCYLCWRFJVERU-UHFFFAOYSA-N 0 2 300.366 2.257 20 30 DDEDLN CSc1ccc(NS(=O)(=O)c2cncc(C#N)c2)nc1 ZINC000357386767 410006632 /nfs/dbraw/zinc/00/66/32/410006632.db2.gz AQQFTYAGNZTTKD-UHFFFAOYSA-N 0 2 306.372 1.871 20 30 DDEDLN CNC(=O)C[C@@H]1S/C(=N/c2ccccc2)N(C2CC2)C1=O ZINC000298182218 410124303 /nfs/dbraw/zinc/12/43/03/410124303.db2.gz DOKDZQOMPJKDLV-FUYOWACXSA-N 0 2 303.387 1.917 20 30 DDEDLN CNC(=O)CC1S/C(=N/c2ccccc2)N(C2CC2)C1=O ZINC000298182218 410124309 /nfs/dbraw/zinc/12/43/09/410124309.db2.gz DOKDZQOMPJKDLV-FUYOWACXSA-N 0 2 303.387 1.917 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cccc2c1OCCO2 ZINC000329278277 410212146 /nfs/dbraw/zinc/21/21/46/410212146.db2.gz CVEBTMJQMFDTGX-UHFFFAOYSA-N 0 2 310.313 2.182 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCC2=O)cc1C#N ZINC000330044941 410527121 /nfs/dbraw/zinc/52/71/21/410527121.db2.gz DDGXTDJWPXBJCC-MRVPVSSYSA-N 0 2 305.359 1.480 20 30 DDEDLN N#Cc1cc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)ccn1 ZINC000359900864 410943437 /nfs/dbraw/zinc/94/34/37/410943437.db2.gz ODMIAZGBGCENTN-UHFFFAOYSA-N 0 2 308.326 1.541 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1cc(OC)ccc1NC(C)=O ZINC000360211618 411102087 /nfs/dbraw/zinc/10/20/87/411102087.db2.gz ITFQFWRLVQUKLC-LLVKDONJSA-N 0 2 311.363 1.697 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(S(=O)(=O)CC)cc1 ZINC000360218664 411103434 /nfs/dbraw/zinc/10/34/34/411103434.db2.gz QJWIWDVJBHYJEF-NSHDSACASA-N 0 2 316.404 1.524 20 30 DDEDLN CC(C)(C)n1cc(NS(=O)(=O)c2ccc(C#N)nc2)cn1 ZINC000195446489 418556834 /nfs/dbraw/zinc/55/68/34/418556834.db2.gz QGHFYIQGQLYKOP-UHFFFAOYSA-N 0 2 305.363 1.706 20 30 DDEDLN N#Cc1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cn1 ZINC000361117292 418587100 /nfs/dbraw/zinc/58/71/00/418587100.db2.gz ZWDOJMJJUGYLAP-CYBMUJFWSA-N 0 2 306.329 1.761 20 30 DDEDLN N#Cc1ccc(C(=O)C(C#N)c2nnc3n2CCCCC3)cn1 ZINC000361117292 418587102 /nfs/dbraw/zinc/58/71/02/418587102.db2.gz ZWDOJMJJUGYLAP-CYBMUJFWSA-N 0 2 306.329 1.761 20 30 DDEDLN C[C@@H](Sc1n[nH]c(=O)[nH]1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000194619218 222180526 /nfs/dbraw/zinc/18/05/26/222180526.db2.gz MEHJVRHOYIRPIJ-OPASDULOSA-N 0 2 323.422 1.922 20 30 DDEDLN Cc1cccc2c(O)c(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cnc12 ZINC000361386467 418641170 /nfs/dbraw/zinc/64/11/70/418641170.db2.gz KWTZZOSUKNWYOC-UHFFFAOYSA-N 0 2 318.296 1.555 20 30 DDEDLN C=CCCS(=O)(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000375609857 418661878 /nfs/dbraw/zinc/66/18/78/418661878.db2.gz CVIGUHCYMDRHKE-UHFFFAOYSA-N 0 2 308.363 1.804 20 30 DDEDLN C=CC[C@@H](CC)NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000281435882 222553062 /nfs/dbraw/zinc/55/30/62/222553062.db2.gz GVGIZIQGRXDXGR-MRVPVSSYSA-N 0 2 324.362 1.069 20 30 DDEDLN C[C@H]1CCN(c2cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)ccn2)C1 ZINC000438995175 420474724 /nfs/dbraw/zinc/47/47/24/420474724.db2.gz NAIJIEUTFWPGGG-JTQLQIEISA-N 0 2 321.344 1.647 20 30 DDEDLN C=CCOc1cccc(NS(=O)(=O)c2c(C)onc2N)c1 ZINC000561994005 421340048 /nfs/dbraw/zinc/34/00/48/421340048.db2.gz YTRNRGXZOKRDON-UHFFFAOYSA-N 0 2 309.347 1.931 20 30 DDEDLN Cc1cc(C#N)cnc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000581191529 421918266 /nfs/dbraw/zinc/91/82/66/421918266.db2.gz BAHQKSZWYRFQPJ-LLVKDONJSA-N 0 2 312.333 1.105 20 30 DDEDLN N#Cc1ccc(CNS(=O)(=O)NCC(F)(F)F)cc1F ZINC000404742459 268075480 /nfs/dbraw/zinc/07/54/80/268075480.db2.gz BZHMBUQNUCKFTK-UHFFFAOYSA-N 0 2 311.260 1.184 20 30 DDEDLN COC[C@@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C1CC1 ZINC000124470115 281190730 /nfs/dbraw/zinc/19/07/30/281190730.db2.gz LPDSSVYRBQHWIU-LLVKDONJSA-N 0 2 307.375 1.123 20 30 DDEDLN N#Cc1cccc(N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1[N+](=O)[O-] ZINC000450508649 303204615 /nfs/dbraw/zinc/20/46/15/303204615.db2.gz CWFHBJMPNJSNHN-JTQLQIEISA-N 0 2 314.305 1.674 20 30 DDEDLN C[C@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001120844073 782180131 /nfs/dbraw/zinc/18/01/31/782180131.db2.gz FARKNKJZHZXHJV-GMSGAONNSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001120844073 782180137 /nfs/dbraw/zinc/18/01/37/782180137.db2.gz FARKNKJZHZXHJV-GMSGAONNSA-N 0 2 319.262 1.507 20 30 DDEDLN N#Cc1cccc(CNC(=O)C[NH2+][C@H](C(=O)[O-])c2ccccc2)c1 ZINC000739133905 599782223 /nfs/dbraw/zinc/78/22/23/599782223.db2.gz RZJZAFRQKODIFL-KRWDZBQOSA-N 0 2 323.352 1.590 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@@H](C(=O)[O-])C1 ZINC000739075167 600126049 /nfs/dbraw/zinc/12/60/49/600126049.db2.gz AIOUPKNEZJGVHR-SNVBAGLBSA-N 0 2 300.322 1.041 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2NCc1ccc(C(=O)[O-])o1 ZINC000739076043 600503336 /nfs/dbraw/zinc/50/33/36/600503336.db2.gz RKZTXYDPFSPXAZ-UHFFFAOYSA-N 0 2 312.289 1.643 20 30 DDEDLN N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](NC(=O)[O-])C3)o2)cc1 ZINC000831118080 604374253 /nfs/dbraw/zinc/37/42/53/604374253.db2.gz LSBLOOGESHJYDE-GFCCVEGCSA-N 0 2 313.317 1.450 20 30 DDEDLN N#Cc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](NC(=O)[O-])C3)o2)cc1 ZINC000831118080 604374255 /nfs/dbraw/zinc/37/42/55/604374255.db2.gz LSBLOOGESHJYDE-GFCCVEGCSA-N 0 2 313.317 1.450 20 30 DDEDLN C[C@@H](C#N)Oc1ccccc1NC(=O)CC1SC(=N)NC1=O ZINC000781034123 698584705 /nfs/dbraw/zinc/58/47/05/698584705.db2.gz HIEYLGRGUHIRQY-KWQFWETISA-N 0 2 318.358 1.472 20 30 DDEDLN CC[C@@H]1C[C@H](CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CCO1 ZINC000781826150 698652413 /nfs/dbraw/zinc/65/24/13/698652413.db2.gz WTUNOTAOBPKHGG-UPJWGTAASA-N 0 2 303.362 1.907 20 30 DDEDLN CO[C@H](C)c1nsc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000788213775 699291568 /nfs/dbraw/zinc/29/15/68/699291568.db2.gz MLNJFHWXPRJWJS-MRVPVSSYSA-N 0 2 324.387 1.918 20 30 DDEDLN O=[N+]([O-])c1cc(C=NNC(=S)NCC2CCC2)ccc1O ZINC000727653635 699420608 /nfs/dbraw/zinc/42/06/08/699420608.db2.gz UCQOTOUAMOUJOZ-UHFFFAOYSA-N 0 2 308.363 1.899 20 30 DDEDLN C#CC[C@@H](CO)NC(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000816670567 702140423 /nfs/dbraw/zinc/14/04/23/702140423.db2.gz ZIQZXMASJBASOB-LBPRGKRZSA-N 0 2 317.320 1.139 20 30 DDEDLN Cc1csc(C(C#N)C(=O)Cc2nc(C3CC3)nn2C)n1 ZINC000842677508 702754913 /nfs/dbraw/zinc/75/49/13/702754913.db2.gz ATPQYRKKNWAMGI-JTQLQIEISA-N 0 2 301.375 1.876 20 30 DDEDLN N#C[C@H](C(=O)CCN1C(=O)CCC1=O)c1nc(C2CC2)cs1 ZINC000842937128 702792477 /nfs/dbraw/zinc/79/24/77/702792477.db2.gz BLOVAGATKHNXSG-SNVBAGLBSA-N 0 2 317.370 1.736 20 30 DDEDLN C#CC[C@@H](CO)NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000820060094 704213450 /nfs/dbraw/zinc/21/34/50/704213450.db2.gz UGTCFIYJIVBMSC-NSHDSACASA-N 0 2 319.748 1.345 20 30 DDEDLN C=CCC1(NC(=O)CCNC(O)=C2N=CC=CC2=O)CCCC1 ZINC000855927389 704507291 /nfs/dbraw/zinc/50/72/91/704507291.db2.gz LQPLRMFKTNKLBO-FOCLMDBBSA-N 0 2 317.389 1.908 20 30 DDEDLN COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC000873642336 704814315 /nfs/dbraw/zinc/81/43/15/704814315.db2.gz SLEJGTXWHHBJSD-CQSZACIVSA-N 0 2 316.357 1.959 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)C2CC(OC)C2)n1 ZINC000860504774 705206643 /nfs/dbraw/zinc/20/66/43/705206643.db2.gz NJXOOHMFQLQPQP-RTBKNWGFSA-N 0 2 308.359 1.921 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)C2CC(OC)C2)n1 ZINC000860504774 705206647 /nfs/dbraw/zinc/20/66/47/705206647.db2.gz NJXOOHMFQLQPQP-RTBKNWGFSA-N 0 2 308.359 1.921 20 30 DDEDLN N#Cc1ccnc(N2CCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)c1 ZINC000900985299 709863131 /nfs/dbraw/zinc/86/31/31/709863131.db2.gz JDTXCTPZAUNAPB-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN Cn1cc(S(=O)(=O)N[C@H](CC#N)C(F)(F)F)nc1Cl ZINC000901772806 710146377 /nfs/dbraw/zinc/14/63/77/710146377.db2.gz RNUUYESJTVHQCB-RXMQYKEDSA-N 0 2 316.692 1.196 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC000892863248 710514740 /nfs/dbraw/zinc/51/47/40/710514740.db2.gz HVGWWFDJUCOIGS-NEPJUHHUSA-N 0 2 303.362 1.907 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000892862800 710514875 /nfs/dbraw/zinc/51/48/75/710514875.db2.gz DTRIBSHEBVOSFR-NWDGAFQWSA-N 0 2 301.346 1.803 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000892863615 710515146 /nfs/dbraw/zinc/51/51/46/710515146.db2.gz NYEJCEOFNPAVCC-ZIAGYGMSSA-N 0 2 322.368 1.935 20 30 DDEDLN C=C[C@H](C)ONC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000911903193 711060466 /nfs/dbraw/zinc/06/04/66/711060466.db2.gz PRHGEEPBXYCXAT-VIFPVBQESA-N 0 2 316.404 1.048 20 30 DDEDLN N#CCN1CCC2(CC1)CN(C(=O)C(F)C(F)(F)F)CCO2 ZINC000949095472 719906052 /nfs/dbraw/zinc/90/60/52/719906052.db2.gz MYYREWYSCMWPKH-JTQLQIEISA-N 0 2 323.290 1.104 20 30 DDEDLN N#CCN1CCC2(CC1)CN(C(=O)[C@H](F)C(F)(F)F)CCO2 ZINC000949095472 719906054 /nfs/dbraw/zinc/90/60/54/719906054.db2.gz MYYREWYSCMWPKH-JTQLQIEISA-N 0 2 323.290 1.104 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)CNc1ccc(C#N)nn1 ZINC001104237246 732736216 /nfs/dbraw/zinc/73/62/16/732736216.db2.gz ULOYGWPFRSMJDX-XVKPBYJWSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)CNc1ccc(C#N)nn1 ZINC001104237246 732736219 /nfs/dbraw/zinc/73/62/19/732736219.db2.gz ULOYGWPFRSMJDX-XVKPBYJWSA-N 0 2 319.262 1.413 20 30 DDEDLN C=CC(C)(C)C(=O)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001011240145 734979727 /nfs/dbraw/zinc/97/97/27/734979727.db2.gz OZCGHGPFPVKERQ-SECBINFHSA-N 0 2 310.291 1.770 20 30 DDEDLN C=CC(C)(C)C(=O)N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001011240145 734979729 /nfs/dbraw/zinc/97/97/29/734979729.db2.gz OZCGHGPFPVKERQ-SECBINFHSA-N 0 2 310.291 1.770 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)[C@@H]2CC)C1 ZINC001087717397 740719815 /nfs/dbraw/zinc/71/98/15/740719815.db2.gz CDKGCHWLFKZJFM-NWDGAFQWSA-N 0 2 319.409 1.336 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3n[nH]c(=O)[n-]3)[C@@H]2CC)C1 ZINC001087717397 740719818 /nfs/dbraw/zinc/71/98/18/740719818.db2.gz CDKGCHWLFKZJFM-NWDGAFQWSA-N 0 2 319.409 1.336 20 30 DDEDLN COC(=O)c1cc(F)c(NS(=O)(=O)[C@H](C)C#N)cc1F ZINC001193161221 746002704 /nfs/dbraw/zinc/00/27/04/746002704.db2.gz NNQLGAZZPQQIDR-ZCFIWIBFSA-N 0 2 304.274 1.405 20 30 DDEDLN COc1ccc(C(=NC(=O)c2c(C)cc(O)cc2O)NO)nc1 ZINC001193946692 746248421 /nfs/dbraw/zinc/24/84/21/746248421.db2.gz XJBBXYNCRJAHDK-UHFFFAOYSA-N 0 2 317.301 1.376 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2ccc3occc3c2)CCC1=O ZINC001198844536 747625729 /nfs/dbraw/zinc/62/57/29/747625729.db2.gz FPGQSSCGLXBMLH-NSHDSACASA-N 0 2 304.327 1.536 20 30 DDEDLN CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082200075 756674245 /nfs/dbraw/zinc/67/42/45/756674245.db2.gz PNVURBWNAOXVJQ-BRWVUGGUSA-N 0 2 321.465 1.090 20 30 DDEDLN C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C(F)C(F)(F)F)C2 ZINC001019365347 759857482 /nfs/dbraw/zinc/85/74/82/759857482.db2.gz ZEOSMFDHWKNVND-BDAKNGLRSA-N 0 2 321.274 1.107 20 30 DDEDLN C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001019365347 759857487 /nfs/dbraw/zinc/85/74/87/759857487.db2.gz ZEOSMFDHWKNVND-BDAKNGLRSA-N 0 2 321.274 1.107 20 30 DDEDLN C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)c2nc[nH]n2)C1 ZINC001108287511 761782145 /nfs/dbraw/zinc/78/21/45/761782145.db2.gz VGBMNLIJSOYPAV-MRXNPFEDSA-N 0 2 321.425 1.372 20 30 DDEDLN COC(=O)[C@@H](NC(=O)[C@H](C#N)Cc1cccs1)C(F)(F)F ZINC001177915512 778783007 /nfs/dbraw/zinc/78/30/07/778783007.db2.gz NSUBOBLJTHVNQU-IONNQARKSA-N 0 2 320.292 1.650 20 30 DDEDLN CC#CC[N@H+](C)CCC1CCN(C(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001271766587 844094510 /nfs/dbraw/zinc/09/45/10/844094510.db2.gz RVDKMXHCOUQOTN-UHFFFAOYSA-N 0 2 318.421 1.621 20 30 DDEDLN CC#CC[N@@H+](C)CCC1CCN(C(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001271766587 844094520 /nfs/dbraw/zinc/09/45/20/844094520.db2.gz RVDKMXHCOUQOTN-UHFFFAOYSA-N 0 2 318.421 1.621 20 30 DDEDLN C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460714 838464936 /nfs/dbraw/zinc/46/49/36/838464936.db2.gz LJQRDOXERBTPHC-ZIAGYGMSSA-N 0 2 318.421 1.200 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1nccnc1C#N ZINC001095758680 855323286 /nfs/dbraw/zinc/32/32/86/855323286.db2.gz RYKONNWJNVZZTG-SECBINFHSA-N 0 2 319.262 1.191 20 30 DDEDLN CN(CCCNC(=O)[C@@H](F)C(F)(F)F)c1nccnc1C#N ZINC001095758680 855323291 /nfs/dbraw/zinc/32/32/91/855323291.db2.gz RYKONNWJNVZZTG-SECBINFHSA-N 0 2 319.262 1.191 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)C(F)C(F)(F)F)CC1 ZINC001073230426 858191422 /nfs/dbraw/zinc/19/14/22/858191422.db2.gz XYTBXLADCKHYEA-RKDXNWHRSA-N 0 2 323.290 1.544 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC(C)(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001073230426 858191436 /nfs/dbraw/zinc/19/14/36/858191436.db2.gz XYTBXLADCKHYEA-RKDXNWHRSA-N 0 2 323.290 1.544 20 30 DDEDLN C#C[C@@H]1CCCCN1c1nnc(-c2c[nH]n(CC)c2=O)n1CC ZINC001121892153 858620663 /nfs/dbraw/zinc/62/06/63/858620663.db2.gz CWCFMIVLQLCWRY-GFCCVEGCSA-N 0 2 314.393 1.879 20 30 DDEDLN C=CCCC1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCCC1 ZINC001336672660 869086384 /nfs/dbraw/zinc/08/63/84/869086384.db2.gz JLEWLJRBPIHMER-UHFFFAOYSA-N 0 2 302.378 1.884 20 30 DDEDLN CC(C)(C)C#CC(=O)NC[C@@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001299022078 870844065 /nfs/dbraw/zinc/84/40/65/870844065.db2.gz NDDDEUFALULGGM-GXSJLCMTSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)(C)C#CC(=O)NC[C@@H]1CCN1C(=O)[C@@H](F)C(F)(F)F ZINC001299022078 870844070 /nfs/dbraw/zinc/84/40/70/870844070.db2.gz NDDDEUFALULGGM-GXSJLCMTSA-N 0 2 322.302 1.653 20 30 DDEDLN C#CCN(C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC(=C)C ZINC001342354622 872165546 /nfs/dbraw/zinc/16/55/46/872165546.db2.gz IPJWWUFWRIVKFC-UHFFFAOYSA-N 0 2 300.366 1.513 20 30 DDEDLN N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(Cn2cc[nH+]c2)c1 ZINC001343562979 872670320 /nfs/dbraw/zinc/67/03/20/872670320.db2.gz GHXKQDVJAINZFS-MRXNPFEDSA-N 0 2 322.368 1.876 20 30 DDEDLN Cn1c(=O)[nH]c(NCc2cccc(C(F)(F)F)c2)c(C#N)c1=O ZINC001472636384 877942918 /nfs/dbraw/zinc/94/29/18/877942918.db2.gz AVJLACKHJYTQER-UHFFFAOYSA-N 0 2 324.262 1.576 20 30 DDEDLN CC(C)C#CC(=O)NCCN(C(=O)C(F)C(F)(F)F)C1CC1 ZINC001356611288 879129753 /nfs/dbraw/zinc/12/97/53/879129753.db2.gz IRBHSWNTZQUCTL-LBPRGKRZSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)NCCN(C(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001356611288 879129765 /nfs/dbraw/zinc/12/97/65/879129765.db2.gz IRBHSWNTZQUCTL-LBPRGKRZSA-N 0 2 322.302 1.653 20 30 DDEDLN C[C@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1nn(C)cc1O ZINC001363668628 886933512 /nfs/dbraw/zinc/93/35/12/886933512.db2.gz UMUKXJOQGUCBBS-SMDDNHRTSA-N 0 2 323.356 1.557 20 30 DDEDLN C[C@H](NC(=O)c1ncc(C#N)cc1Cl)c1nn(C)cc1O ZINC001364393168 888528556 /nfs/dbraw/zinc/52/85/56/888528556.db2.gz CJMPWULIQOYNDE-ZETCQYMHSA-N 0 2 305.725 1.537 20 30 DDEDLN Cn1c(=O)[nH]c(Nc2cnn(C3CCCC3)c2)c(C#N)c1=O ZINC001365242783 890423327 /nfs/dbraw/zinc/42/33/27/890423327.db2.gz LISDFIBCOBSWBB-UHFFFAOYSA-N 0 2 300.322 1.000 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)NC(=O)c1cc(C#N)c[nH]1 ZINC001386304608 890752878 /nfs/dbraw/zinc/75/28/78/890752878.db2.gz MXSCWPACQWZXPP-MUWHJKNJSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)NC(=O)c1cc(C#N)c[nH]1 ZINC001386304608 890752898 /nfs/dbraw/zinc/75/28/98/890752898.db2.gz MXSCWPACQWZXPP-MUWHJKNJSA-N 0 2 320.246 1.021 20 30 DDEDLN COc1cc(OC)c(NS(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC001258053327 898033361 /nfs/dbraw/zinc/03/33/61/898033361.db2.gz BMGXTZQBXKVLCU-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN CC(C)C#CC(=O)NC[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001282074051 905514079 /nfs/dbraw/zinc/51/40/79/905514079.db2.gz FOCSIGAQPNXMQT-UMNHJUIQSA-N 0 2 322.302 1.557 20 30 DDEDLN CC(C)C#CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001282074051 905514096 /nfs/dbraw/zinc/51/40/96/905514096.db2.gz FOCSIGAQPNXMQT-UMNHJUIQSA-N 0 2 322.302 1.557 20 30 DDEDLN C[C@@]1(NC(=O)C(F)C(F)(F)F)CCN(C(=O)C#CC2CC2)C1 ZINC001286092719 911682256 /nfs/dbraw/zinc/68/22/56/911682256.db2.gz FIASQXWOGUYNLH-WCQYABFASA-N 0 2 320.286 1.407 20 30 DDEDLN C[C@@]1(NC(=O)[C@H](F)C(F)(F)F)CCN(C(=O)C#CC2CC2)C1 ZINC001286092719 911682261 /nfs/dbraw/zinc/68/22/61/911682261.db2.gz FIASQXWOGUYNLH-WCQYABFASA-N 0 2 320.286 1.407 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1cc(F)cc(C(=O)OC)c1F ZINC000416957495 529588428 /nfs/dbraw/zinc/58/84/28/529588428.db2.gz KZSRRQVYOIXCBU-MRVPVSSYSA-N 0 2 318.301 1.795 20 30 DDEDLN Cn1cc(C#N)cc1C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000081083054 353651042 /nfs/dbraw/zinc/65/10/42/353651042.db2.gz GYAXGPKMFRQVMS-UHFFFAOYSA-N 0 2 309.285 1.905 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCc2ccc[nH]2)cc1C#N ZINC000089459459 353772411 /nfs/dbraw/zinc/77/24/11/353772411.db2.gz MBTJCQVHCKUOFR-UHFFFAOYSA-N 0 2 302.359 1.681 20 30 DDEDLN Cc1csc([C@@H](C#N)C(=O)c2cc3c(cn2)nc[nH]c3=O)n1 ZINC000494868088 235097757 /nfs/dbraw/zinc/09/77/57/235097757.db2.gz IVNGBLCXAJYFPP-VIFPVBQESA-N 0 2 311.326 1.985 20 30 DDEDLN Cc1csc(C(C#N)C(=O)c2cc3c(cn2)nc[nH]c3=O)n1 ZINC000494868088 235097761 /nfs/dbraw/zinc/09/77/61/235097761.db2.gz IVNGBLCXAJYFPP-VIFPVBQESA-N 0 2 311.326 1.985 20 30 DDEDLN CN(CC1N=NC(=O)O1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000590546678 355110189 /nfs/dbraw/zinc/11/01/89/355110189.db2.gz MORKGCYHNJPFKP-UHFFFAOYSA-N 0 2 316.317 1.463 20 30 DDEDLN Cc1nc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)nn1C ZINC000593282060 355844459 /nfs/dbraw/zinc/84/44/59/355844459.db2.gz XDAMWDWTWODLLS-UHFFFAOYSA-N 0 2 319.390 1.726 20 30 DDEDLN CC(C)(CC#N)CNC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000597762095 357321142 /nfs/dbraw/zinc/32/11/42/357321142.db2.gz ZLXCZFCDNDMIKA-UHFFFAOYSA-N 0 2 300.318 1.700 20 30 DDEDLN Cc1[nH]nc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1O ZINC000619729574 364134018 /nfs/dbraw/zinc/13/40/18/364134018.db2.gz VRNNLVALKKJACP-UHFFFAOYSA-N 0 2 311.345 1.516 20 30 DDEDLN N#Cc1ccc(OC2CCC(NC(=O)c3cncnc3)CC2)nc1 ZINC000273724862 211006619 /nfs/dbraw/zinc/00/66/19/211006619.db2.gz NEIMPFIGDLXVNG-UHFFFAOYSA-N 0 2 323.356 1.863 20 30 DDEDLN N#Cc1ccc(OC(F)F)c(NS(=O)(=O)c2cn[nH]c2)c1 ZINC000076195362 406957939 /nfs/dbraw/zinc/95/79/39/406957939.db2.gz VNUCHYUYDULAIR-UHFFFAOYSA-N 0 2 314.273 1.684 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(-c3ccco3)[nH]c2=O)[nH]c1C#N ZINC000066044687 407247235 /nfs/dbraw/zinc/24/72/35/407247235.db2.gz RPRNUCHXULFYFU-UHFFFAOYSA-N 0 2 320.268 1.354 20 30 DDEDLN CCc1nnc(NS(=O)(=O)c2ccc(C#N)cc2OC)s1 ZINC000185624692 407464390 /nfs/dbraw/zinc/46/43/90/407464390.db2.gz NWXNCJRREGSHRZ-UHFFFAOYSA-N 0 2 324.387 1.782 20 30 DDEDLN N#CCN1CCN(C(=O)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000179594307 407812439 /nfs/dbraw/zinc/81/24/39/407812439.db2.gz IURBTZFAZPHCHA-UHFFFAOYSA-N 0 2 314.172 1.980 20 30 DDEDLN C=CCN1CC[C@@H](N(C)Cc2nc(=O)c3sccc3[nH]2)C1=O ZINC000281312753 408879229 /nfs/dbraw/zinc/87/92/29/408879229.db2.gz KQHHHNOIACYTDJ-LLVKDONJSA-N 0 2 318.402 1.616 20 30 DDEDLN C=CCN1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)C1=O ZINC000281655751 408904324 /nfs/dbraw/zinc/90/43/24/408904324.db2.gz IINAGICYBDUWBQ-LBPRGKRZSA-N 0 2 319.317 1.159 20 30 DDEDLN C=CC[C@H](CC)NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000281559696 408890610 /nfs/dbraw/zinc/89/06/10/408890610.db2.gz ZOYNGSDLKFYZCM-VIFPVBQESA-N 0 2 302.334 1.829 20 30 DDEDLN C=C[C@@H](CO)NC(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000290646925 409474801 /nfs/dbraw/zinc/47/48/01/409474801.db2.gz QQXKUXRKXYTNNE-ZDUSSCGKSA-N 0 2 315.373 1.978 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cnn(-c3ccccc3C)c2)c1C#N ZINC000357252901 409951298 /nfs/dbraw/zinc/95/12/98/409951298.db2.gz GYEOFRCBBIJDJL-UHFFFAOYSA-N 0 2 306.329 2.336 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCS[C@H](C)C2)cc1C#N ZINC000351567896 410090154 /nfs/dbraw/zinc/09/01/54/410090154.db2.gz KVMXHOFGXDTFIV-MRVPVSSYSA-N 0 2 309.416 1.958 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H](O)CC(C)(C)C)cc1C#N ZINC000343887636 410780983 /nfs/dbraw/zinc/78/09/83/410780983.db2.gz SOHHDKVKPNQWEX-JTQLQIEISA-N 0 2 323.418 1.908 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1O ZINC000188316026 222010893 /nfs/dbraw/zinc/01/08/93/222010893.db2.gz GQNHFGBFECKHPO-UHFFFAOYSA-N 0 2 306.285 1.696 20 30 DDEDLN C#CC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000192219652 222122787 /nfs/dbraw/zinc/12/27/87/222122787.db2.gz JQYPZYPOMHEULM-UHFFFAOYSA-N 0 2 313.445 1.594 20 30 DDEDLN COc1ccc(-c2nc(S(=O)(=O)CCCC#N)n[nH]2)cc1 ZINC000195119561 222191668 /nfs/dbraw/zinc/19/16/68/222191668.db2.gz GKARIGOGTFVNQP-UHFFFAOYSA-N 0 2 306.347 1.558 20 30 DDEDLN COCCn1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000427197180 419618145 /nfs/dbraw/zinc/61/81/45/419618145.db2.gz JUNFAKCOKKJWMZ-UHFFFAOYSA-N 0 2 324.337 1.341 20 30 DDEDLN CCn1cc[nH+]c1/C=C/C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000493553905 420881127 /nfs/dbraw/zinc/88/11/27/420881127.db2.gz PRUJAFYPMUIJLR-SNAWJCMRSA-N 0 2 322.390 1.056 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2cnc3n2CCC3)cc1Cl ZINC000515773672 421515947 /nfs/dbraw/zinc/51/59/47/421515947.db2.gz NNWUKYAEHHEXJZ-UHFFFAOYSA-N 0 2 323.765 1.550 20 30 DDEDLN N#Cc1nc(NC(=O)Cc2ccn(-c3ccccc3)n2)[nH]c1C#N ZINC000532055817 421646495 /nfs/dbraw/zinc/64/64/95/421646495.db2.gz YQSJITAPYJMFHJ-UHFFFAOYSA-N 0 2 317.312 1.520 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N2CCC(CC#N)CC2)c1 ZINC000570676591 421662064 /nfs/dbraw/zinc/66/20/64/421662064.db2.gz XVOJSXQMPGXREJ-QFIPXVFZSA-N 0 2 320.414 1.955 20 30 DDEDLN Cc1noc(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000348482807 269929062 /nfs/dbraw/zinc/92/90/62/269929062.db2.gz WZUOPCIEAXUIIJ-UHFFFAOYSA-N 0 2 322.302 1.872 20 30 DDEDLN N#Cc1nc(NC(=O)CCC(=O)c2cccc(F)c2)[nH]c1C#N ZINC000350145925 268324175 /nfs/dbraw/zinc/32/41/75/268324175.db2.gz YMNGSAFARJBNCE-UHFFFAOYSA-N 0 2 311.276 1.894 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@]2(C)CCCS2)cc1C#N ZINC000163132043 298206393 /nfs/dbraw/zinc/20/63/93/298206393.db2.gz DZZILACBDUNZBR-CQSZACIVSA-N 0 2 323.443 1.984 20 30 DDEDLN N#C[C@]1(NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)CCOC1 ZINC000358438552 303173256 /nfs/dbraw/zinc/17/32/56/303173256.db2.gz AZTCJKJCEPJVOV-OAHLLOKOSA-N 0 2 316.292 1.129 20 30 DDEDLN CC(C)CCn1nccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000570982632 308187789 /nfs/dbraw/zinc/18/77/89/308187789.db2.gz ZJAOTVNMDTTYRD-UHFFFAOYSA-N 0 2 319.390 1.997 20 30 DDEDLN Cc1cc[nH]c2nc(C(C#N)=C([O-])c3c[nH+]c4n3CCC4)nc1-2 ZINC000659107880 484630631 /nfs/dbraw/zinc/63/06/31/484630631.db2.gz CRMKGUYUDRFWJQ-JTQLQIEISA-N 0 2 306.329 1.899 20 30 DDEDLN C=C(C)COc1cccc(-n2c(O)c(C(=O)OCC)[nH]c2=O)c1 ZINC000445950768 526664704 /nfs/dbraw/zinc/66/47/04/526664704.db2.gz AQMZTNZGULACDG-CYBMUJFWSA-N 0 2 318.329 1.629 20 30 DDEDLN C#CCN(C)C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000491242644 526789744 /nfs/dbraw/zinc/78/97/44/526789744.db2.gz RFGQPNNZXOLKQZ-UHFFFAOYSA-N 0 2 302.359 1.733 20 30 DDEDLN COc1c(C)c[nH+]c(CNC(=O)[C@@](C)(C#N)CC(=O)[O-])c1C ZINC000820754750 598225893 /nfs/dbraw/zinc/22/58/93/598225893.db2.gz LUUUWODGATWIBN-OAHLLOKOSA-N 0 2 305.334 1.328 20 30 DDEDLN C[C@@](C#N)(NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000736201568 599785994 /nfs/dbraw/zinc/78/59/94/599785994.db2.gz IPCMTADFIHGENN-HOCLYGCPSA-N 0 2 301.346 1.210 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CC(=O)[O-])CC1 ZINC000737577611 600565980 /nfs/dbraw/zinc/56/59/80/600565980.db2.gz ABNVJTFTLLNTIL-INIZCTEOSA-N 0 2 316.357 1.959 20 30 DDEDLN C[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940925 601353895 /nfs/dbraw/zinc/35/38/95/601353895.db2.gz MZBVSMMXYBXNFE-KBPBESRZSA-N 0 2 302.330 1.711 20 30 DDEDLN C[N@H+]1CCCC[C@H]1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940925 601353898 /nfs/dbraw/zinc/35/38/98/601353898.db2.gz MZBVSMMXYBXNFE-KBPBESRZSA-N 0 2 302.330 1.711 20 30 DDEDLN CCn1nc(C)c(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c1C ZINC000796980387 699988832 /nfs/dbraw/zinc/98/88/32/699988832.db2.gz GIBGUPRJNASUPM-CYBMUJFWSA-N 0 2 313.361 1.388 20 30 DDEDLN C#CCCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000172949430 697374203 /nfs/dbraw/zinc/37/42/03/697374203.db2.gz MPSQTYPKLHIHOG-UHFFFAOYSA-N 0 2 315.398 1.848 20 30 DDEDLN COc1ccnc(N=NC(C)c2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000749611357 700173466 /nfs/dbraw/zinc/17/34/66/700173466.db2.gz AYZJLUXBCQJMFA-UHFFFAOYSA-N 0 2 303.278 1.935 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(C=NNS(=O)(=O)c2ccccc2)c1 ZINC000254309814 698407574 /nfs/dbraw/zinc/40/75/74/698407574.db2.gz GAVLWAVBXANOLX-UHFFFAOYSA-N 0 2 321.314 1.613 20 30 DDEDLN C[C@H]1CN(C(=O)C(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000788308359 699301035 /nfs/dbraw/zinc/30/10/35/699301035.db2.gz IYPSRMKQXMDRIC-BQBZGAKWSA-N 0 2 310.213 1.982 20 30 DDEDLN C[C@H]1CN(C(=O)[C@H](F)C(F)(F)F)CCN1CC(F)(F)F ZINC000788308359 699301037 /nfs/dbraw/zinc/30/10/37/699301037.db2.gz IYPSRMKQXMDRIC-BQBZGAKWSA-N 0 2 310.213 1.982 20 30 DDEDLN N#C[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccc(F)cc1 ZINC000742510410 699880278 /nfs/dbraw/zinc/88/02/78/699880278.db2.gz BXBFGAXCWCEHSZ-UWVGGRQHSA-N 0 2 306.322 1.063 20 30 DDEDLN COCCC1N=NC(=S)N1N=Cc1cc([N+](=O)[O-])ccc1O ZINC000743447399 699912764 /nfs/dbraw/zinc/91/27/64/699912764.db2.gz QDAQPMDNEUYVQY-UHFFFAOYSA-N 0 2 323.334 1.252 20 30 DDEDLN COC(=O)c1cc(S(=O)(=O)Nc2cc(C#N)ccc2O)c[nH]1 ZINC000751216455 700274340 /nfs/dbraw/zinc/27/43/40/700274340.db2.gz KNARZIWMYURXEE-UHFFFAOYSA-N 0 2 321.314 1.179 20 30 DDEDLN CC(C)(C)c1[nH]n(Cc2nnnn2C2CC2)c(=O)c1CCC#N ZINC000758423597 700704776 /nfs/dbraw/zinc/70/47/76/700704776.db2.gz JSERXSBEXHUAJU-UHFFFAOYSA-N 0 2 315.381 1.712 20 30 DDEDLN N#CC(C(=O)Cn1cc(C(N)=O)c2ccccc21)c1ccncn1 ZINC000760359267 700804821 /nfs/dbraw/zinc/80/48/21/700804821.db2.gz SEGUVGNSQCGEMG-LBPRGKRZSA-N 0 2 319.324 1.407 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1cccc(OCC#N)c1 ZINC000810636192 701806479 /nfs/dbraw/zinc/80/64/79/701806479.db2.gz NBMNBPXBVTXTMO-AWEZNQCLSA-N 0 2 322.324 1.457 20 30 DDEDLN CC(C)c1ccc([C@H](C)NN=C2C(=O)NC(=O)NC2=O)cc1 ZINC000814217724 702497736 /nfs/dbraw/zinc/49/77/36/702497736.db2.gz GIPZACWDIALQOO-VIFPVBQESA-N 0 2 302.334 1.183 20 30 DDEDLN O=C1NC(=O)C(=NNCc2ccc(-c3ccccc3)cc2)C(=O)N1 ZINC000814222258 702497886 /nfs/dbraw/zinc/49/78/86/702497886.db2.gz FBVFFFGRLXFMGW-UHFFFAOYSA-N 0 2 322.324 1.165 20 30 DDEDLN N#CC(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccc2ccccc2n1 ZINC000860451595 705191870 /nfs/dbraw/zinc/19/18/70/705191870.db2.gz GWVRQPISDGHUKS-GLQYFDAESA-N 0 2 309.325 1.444 20 30 DDEDLN N#C[C@H](C(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccc2ccccc2n1 ZINC000860451595 705191876 /nfs/dbraw/zinc/19/18/76/705191876.db2.gz GWVRQPISDGHUKS-GLQYFDAESA-N 0 2 309.325 1.444 20 30 DDEDLN C#C[C@@H](CCC)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000861298639 705423627 /nfs/dbraw/zinc/42/36/27/705423627.db2.gz DKHMUAIKLXXQCM-VIFPVBQESA-N 0 2 316.279 1.990 20 30 DDEDLN Cc1cc(Cn2cc(CNC(=O)C(F)(F)F)nn2)ccc1C#N ZINC000881341343 707204179 /nfs/dbraw/zinc/20/41/79/707204179.db2.gz JFRVKSICLNQAHV-UHFFFAOYSA-N 0 2 323.278 1.685 20 30 DDEDLN Cc1nc(C#N)cc(N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)n1 ZINC000882707059 707755226 /nfs/dbraw/zinc/75/52/26/707755226.db2.gz BOIYJVZJMJQBPE-GFCCVEGCSA-N 0 2 313.283 1.304 20 30 DDEDLN CCn1c(=O)c2ccc(C(=O)NCCC#N)cc2[nH]c1=S ZINC000899892907 709229078 /nfs/dbraw/zinc/22/90/78/709229078.db2.gz QHSJMAJTRBXWJR-UHFFFAOYSA-N 0 2 302.359 1.349 20 30 DDEDLN N#C[C@@]1(C(=O)NCCc2n[nH]c(=S)o2)CC2CCC1CC2 ZINC000907462567 712578235 /nfs/dbraw/zinc/57/82/35/712578235.db2.gz VSTWBZAHNISQBG-FDZGAKKTSA-N 0 2 306.391 1.737 20 30 DDEDLN N#CC1(C[C@H](O)C[N@@H+]2CCc3[nH+]ccc(N)c3C2)CCOCC1 ZINC000931516099 714116894 /nfs/dbraw/zinc/11/68/94/714116894.db2.gz HKKNZITXSXJLRA-ZDUSSCGKSA-N 0 2 316.405 1.093 20 30 DDEDLN C#CC[N@H+]1CCC[C@@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000923559409 714402512 /nfs/dbraw/zinc/40/25/12/714402512.db2.gz MKLKELOWBUWGKL-CQSZACIVSA-N 0 2 324.384 1.405 20 30 DDEDLN C#CC[N@@H+]1CCC[C@@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000923559409 714402513 /nfs/dbraw/zinc/40/25/13/714402513.db2.gz MKLKELOWBUWGKL-CQSZACIVSA-N 0 2 324.384 1.405 20 30 DDEDLN O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC000937139405 715282529 /nfs/dbraw/zinc/28/25/29/715282529.db2.gz XANDDINGEYXHCB-NHCYSSNCSA-N 0 2 318.270 1.112 20 30 DDEDLN O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)C(F)(F)F ZINC000937139405 715282531 /nfs/dbraw/zinc/28/25/31/715282531.db2.gz XANDDINGEYXHCB-NHCYSSNCSA-N 0 2 318.270 1.112 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CCO[C@H](C)C1 ZINC001121498077 782537106 /nfs/dbraw/zinc/53/71/06/782537106.db2.gz YPRLIHSNJMEVEI-LLVKDONJSA-N 0 2 318.381 1.278 20 30 DDEDLN C=C1CCC(C(=O)N[C@H]2CC[N@H+](Cc3n[nH]c(=O)[n-]3)[C@@H]2C)CC1 ZINC001088838480 743482852 /nfs/dbraw/zinc/48/28/52/743482852.db2.gz LRDRDFGQNHDPSQ-YPMHNXCESA-N 0 2 319.409 1.336 20 30 DDEDLN C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3n[nH]c(=O)[n-]3)[C@@H]2C)CC1 ZINC001088838480 743482858 /nfs/dbraw/zinc/48/28/58/743482858.db2.gz LRDRDFGQNHDPSQ-YPMHNXCESA-N 0 2 319.409 1.336 20 30 DDEDLN N#Cc1cc2cccnc2nc1NC(=O)C(CO)C(F)(F)F ZINC001183279585 743806752 /nfs/dbraw/zinc/80/67/52/743806752.db2.gz PETCTAFZFWOJKL-SECBINFHSA-N 0 2 310.235 1.611 20 30 DDEDLN N#Cc1cc2cccnc2nc1NC(=O)[C@@H](CO)C(F)(F)F ZINC001183279585 743806757 /nfs/dbraw/zinc/80/67/57/743806757.db2.gz PETCTAFZFWOJKL-SECBINFHSA-N 0 2 310.235 1.611 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)Cc3nnc[nH]3)CCC[C@@H]12 ZINC000992399606 744855075 /nfs/dbraw/zinc/85/50/75/744855075.db2.gz CLJBYIIZRVMDSV-RISCZKNCSA-N 0 2 309.801 1.213 20 30 DDEDLN C=C[C@@H]1C[C@@]1(NC(=O)c1cc(F)c(O)cc1F)C(=O)OCC ZINC001192877130 745910646 /nfs/dbraw/zinc/91/06/46/745910646.db2.gz QBFFODFMGGUIJS-GLEZIHRCSA-N 0 2 311.284 1.908 20 30 DDEDLN C#CCOc1ccc(NS(=O)(=O)c2cccnc2OC)cc1 ZINC001194718594 746449306 /nfs/dbraw/zinc/44/93/06/746449306.db2.gz GMYXKFHQZVKIPH-UHFFFAOYSA-N 0 2 318.354 1.903 20 30 DDEDLN N#Cc1cncc(NS(=O)(=O)c2cccc3nccnc32)c1 ZINC001194939275 746491792 /nfs/dbraw/zinc/49/17/92/746491792.db2.gz OKPAELCKBQQVGE-UHFFFAOYSA-N 0 2 311.326 1.697 20 30 DDEDLN COCCn1nccc1NS(=O)(=O)c1ccc(C)c(C#N)c1 ZINC001201294938 748468012 /nfs/dbraw/zinc/46/80/12/748468012.db2.gz GKJXYOOYGUXNKO-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN COC(=O)CCCS(=O)(=O)Nc1c(C#N)ccc(F)c1F ZINC001201916123 748641807 /nfs/dbraw/zinc/64/18/07/748641807.db2.gz MMPPLNZFQRIWLH-UHFFFAOYSA-N 0 2 318.301 1.531 20 30 DDEDLN N#CCN1CC[C@@]2(CNC(=O)C(F)C(F)(F)F)CCC[C@@H]12 ZINC001107414104 749934886 /nfs/dbraw/zinc/93/48/86/749934886.db2.gz CHTSPFDTVMIBCS-JFGNBEQYSA-N 0 2 307.291 1.771 20 30 DDEDLN N#CCN1CC[C@@]2(CNC(=O)[C@H](F)C(F)(F)F)CCC[C@@H]12 ZINC001107414104 749934892 /nfs/dbraw/zinc/93/48/92/749934892.db2.gz CHTSPFDTVMIBCS-JFGNBEQYSA-N 0 2 307.291 1.771 20 30 DDEDLN C=C1CC(C)(C(=O)N(C)C2CC[NH+](Cc3n[nH]c(=O)[n-]3)CC2)C1 ZINC001005963730 753427581 /nfs/dbraw/zinc/42/75/81/753427581.db2.gz JAZUOHHTFCUHJM-UHFFFAOYSA-N 0 2 319.409 1.289 20 30 DDEDLN C[C@@H](CNc1cncc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001108739990 762898342 /nfs/dbraw/zinc/89/83/42/762898342.db2.gz XNQXCKXHFQQBAU-IMTBSYHQSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@@H](F)C(F)(F)F ZINC001108739990 762898346 /nfs/dbraw/zinc/89/83/46/762898346.db2.gz XNQXCKXHFQQBAU-IMTBSYHQSA-N 0 2 305.235 1.165 20 30 DDEDLN C#CC1CCN(c2nnc(-c3n[nH]c(Cl)n3)n2CC)CC1 ZINC001121678677 782623623 /nfs/dbraw/zinc/62/36/23/782623623.db2.gz HJDKNFXKPDDOMY-UHFFFAOYSA-N 0 2 305.773 1.586 20 30 DDEDLN C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132257006 768714497 /nfs/dbraw/zinc/71/44/97/768714497.db2.gz SDYCTYJTNWBBQL-RYUDHWBXSA-N 0 2 307.398 1.336 20 30 DDEDLN C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132257006 768714501 /nfs/dbraw/zinc/71/45/01/768714501.db2.gz SDYCTYJTNWBBQL-RYUDHWBXSA-N 0 2 307.398 1.336 20 30 DDEDLN C[C@H](CCNC(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001099742060 775209108 /nfs/dbraw/zinc/20/91/08/775209108.db2.gz GRIXAZHVKMXYAL-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNC(=O)[C@@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001099742060 775209117 /nfs/dbraw/zinc/20/91/17/775209117.db2.gz GRIXAZHVKMXYAL-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001099742803 775211344 /nfs/dbraw/zinc/21/13/44/775211344.db2.gz ZWCUMQLTQNWRMY-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNC(=O)[C@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001099742803 775211348 /nfs/dbraw/zinc/21/13/48/775211348.db2.gz ZWCUMQLTQNWRMY-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN C=CCO[C@@H](C)C(=O)NCCCNC(=O)C(F)C(F)(F)F ZINC001350153118 837433950 /nfs/dbraw/zinc/43/39/50/837433950.db2.gz ZYMZJJCRKISOLA-DTWKUNHWSA-N 0 2 314.279 1.100 20 30 DDEDLN C=CCO[C@@H](C)C(=O)NCCCNC(=O)[C@@H](F)C(F)(F)F ZINC001350153118 837433957 /nfs/dbraw/zinc/43/39/57/837433957.db2.gz ZYMZJJCRKISOLA-DTWKUNHWSA-N 0 2 314.279 1.100 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001267968977 839291998 /nfs/dbraw/zinc/29/19/98/839291998.db2.gz FNVWKMVPZRWMAQ-LLVKDONJSA-N 0 2 307.398 1.193 20 30 DDEDLN N#Cc1ccc2[nH]c(C(=O)Nc3ncccc3O)cc(=O)c2c1 ZINC001154552013 861206619 /nfs/dbraw/zinc/20/66/19/861206619.db2.gz COJORGNHXBMSIY-UHFFFAOYSA-N 0 2 306.281 1.753 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1ccncc1C#N ZINC001095758794 855322432 /nfs/dbraw/zinc/32/24/32/855322432.db2.gz XWZOXHFXPMGCKA-NSHDSACASA-N 0 2 318.274 1.796 20 30 DDEDLN CN(CCCNC(=O)[C@H](F)C(F)(F)F)c1ccncc1C#N ZINC001095758794 855322437 /nfs/dbraw/zinc/32/24/37/855322437.db2.gz XWZOXHFXPMGCKA-NSHDSACASA-N 0 2 318.274 1.796 20 30 DDEDLN C=C[C@@H]1CCCCN1C(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001139594181 860437172 /nfs/dbraw/zinc/43/71/72/860437172.db2.gz KNSHKFRXDMATGV-GFCCVEGCSA-N 0 2 314.345 1.447 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001330001343 864009257 /nfs/dbraw/zinc/00/92/57/864009257.db2.gz WEIYYHDCSNTUJE-SNVBAGLBSA-N 0 2 307.398 1.049 20 30 DDEDLN C=CC1CCN(c2nnc(-c3c[nH]n(CC)c3=O)n2C)CC1 ZINC001338487505 870006496 /nfs/dbraw/zinc/00/64/96/870006496.db2.gz DUYTWMMNSZHAMX-UHFFFAOYSA-N 0 2 302.382 1.807 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001276601117 874577048 /nfs/dbraw/zinc/57/70/48/874577048.db2.gz LKCMPYXBWYRTFY-JTQLQIEISA-N 0 2 307.398 1.049 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001276601117 874577058 /nfs/dbraw/zinc/57/70/58/874577058.db2.gz LKCMPYXBWYRTFY-JTQLQIEISA-N 0 2 307.398 1.049 20 30 DDEDLN C[C@H](C#N)C(=O)N[C@@H](CNC(=O)c1[nH]ncc1F)C1CCCC1 ZINC001379586127 877453026 /nfs/dbraw/zinc/45/30/26/877453026.db2.gz OOUCSCROELJZMG-SKDRFNHKSA-N 0 2 321.356 1.113 20 30 DDEDLN CCOC(=O)C[C@@H](CC#N)Oc1cc(O)cc(O)c1[N+](=O)[O-] ZINC001228972191 883752835 /nfs/dbraw/zinc/75/28/35/883752835.db2.gz UGYKOMFSFNLIBH-SECBINFHSA-N 0 2 310.262 1.620 20 30 DDEDLN Cc1ccc([C@@H]2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)C2)cc1 ZINC001363735117 887103102 /nfs/dbraw/zinc/10/31/02/887103102.db2.gz OMTHWMAGBWMFQG-CYBMUJFWSA-N 0 2 310.357 1.248 20 30 DDEDLN CC(C)CC[C@H]1CCC[C@@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001364145166 888021484 /nfs/dbraw/zinc/02/14/84/888021484.db2.gz BBKPCPBYJJMXAB-YPMHNXCESA-N 0 2 304.394 1.962 20 30 DDEDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(F)c(F)c1 ZINC001364532829 888866009 /nfs/dbraw/zinc/86/60/09/888866009.db2.gz MFHQYAGOPZHFCB-ZETCQYMHSA-N 0 2 306.272 1.397 20 30 DDEDLN CN(C)S(=O)(=O)Nc1c(C#N)cnnc1-c1ccccc1 ZINC001251058932 894618526 /nfs/dbraw/zinc/61/85/26/894618526.db2.gz XLFYCVDSXKZVQC-UHFFFAOYSA-N 0 2 303.347 1.234 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cccnc2CO)c(Cl)c1 ZINC001259107907 898473641 /nfs/dbraw/zinc/47/36/41/898473641.db2.gz YCKBTHZAKGYWNI-UHFFFAOYSA-N 0 2 323.761 1.900 20 30 DDEDLN COc1cc(C)ccc1S(=O)(=O)Nc1cnn(C)c1C#N ZINC001259197738 898525735 /nfs/dbraw/zinc/52/57/35/898525735.db2.gz KDJGDDODORPTOX-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN CCOC(=O)C(C#N)NS(=O)(=O)c1cccc(Cl)c1F ZINC001259471966 898686219 /nfs/dbraw/zinc/68/62/19/898686219.db2.gz BTSMKMWCGUXFPK-MRVPVSSYSA-N 0 2 320.729 1.213 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1cccc(Cl)c1F ZINC001259471966 898686228 /nfs/dbraw/zinc/68/62/28/898686228.db2.gz BTSMKMWCGUXFPK-MRVPVSSYSA-N 0 2 320.729 1.213 20 30 DDEDLN C=C[C@](C)(CC)C(=O)N(C)C1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001265197509 901690492 /nfs/dbraw/zinc/69/04/92/901690492.db2.gz SGALGGQDRTXEAU-MRXNPFEDSA-N 0 2 321.425 1.535 20 30 DDEDLN CC(C)C#CC(=O)NCCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001280832459 904094573 /nfs/dbraw/zinc/09/45/73/904094573.db2.gz PIHASSZREDFAOS-JQWIXIFHSA-N 0 2 324.318 1.947 20 30 DDEDLN CC(C)C#CC(=O)NCCC[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001280832459 904094590 /nfs/dbraw/zinc/09/45/90/904094590.db2.gz PIHASSZREDFAOS-JQWIXIFHSA-N 0 2 324.318 1.947 20 30 DDEDLN CN(C(=O)C(F)C(F)(F)F)C1CN(C(=O)CC(F)(F)F)C1 ZINC001394016458 908540125 /nfs/dbraw/zinc/54/01/25/908540125.db2.gz CLICEHCZUCMIOJ-ZETCQYMHSA-N 0 2 324.196 1.508 20 30 DDEDLN CN(C(=O)[C@H](F)C(F)(F)F)C1CN(C(=O)CC(F)(F)F)C1 ZINC001394016458 908540136 /nfs/dbraw/zinc/54/01/36/908540136.db2.gz CLICEHCZUCMIOJ-ZETCQYMHSA-N 0 2 324.196 1.508 20 30 DDEDLN C=C(C)CCC(=O)NC[C@@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001285867817 911309224 /nfs/dbraw/zinc/30/92/24/911309224.db2.gz ZKDSPPSCWDAGDI-ONGXEEELSA-N 0 2 310.291 1.960 20 30 DDEDLN C=C(C)CCC(=O)NC[C@@H]1CCN1C(=O)[C@H](F)C(F)(F)F ZINC001285867817 911309245 /nfs/dbraw/zinc/30/92/45/911309245.db2.gz ZKDSPPSCWDAGDI-ONGXEEELSA-N 0 2 310.291 1.960 20 30 DDEDLN CC(C)(C)OC(=O)NCCC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000026270680 352207188 /nfs/dbraw/zinc/20/71/88/352207188.db2.gz RRIQTBQWMSWSHS-UHFFFAOYSA-N 0 2 304.310 1.006 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)CC(C)(C)CO)cc1C#N ZINC000598737821 357709970 /nfs/dbraw/zinc/70/99/70/357709970.db2.gz JGZYAOUHTWBXBY-UHFFFAOYSA-N 0 2 309.391 1.471 20 30 DDEDLN CCN(CC)c1ccnc(N2N=C(C)[C@@H](CCC#N)C2=O)n1 ZINC000601946463 358747852 /nfs/dbraw/zinc/74/78/52/358747852.db2.gz ZIRWRTXWDBVXHB-GFCCVEGCSA-N 0 2 300.366 1.965 20 30 DDEDLN O=C(NCc1n[nH]c(=O)[nH]1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000330056998 223068719 /nfs/dbraw/zinc/06/87/19/223068719.db2.gz WSZFJUFMYFGMJU-NXEZZACHSA-N 0 2 316.317 1.542 20 30 DDEDLN N#Cc1cnc2c(F)ccc(F)c2c1NCc1n[nH]c(=O)[nH]1 ZINC000610953754 360583056 /nfs/dbraw/zinc/58/30/56/360583056.db2.gz CJFPQSXAFOTCPZ-UHFFFAOYSA-N 0 2 302.244 1.242 20 30 DDEDLN C#CCNC(=O)c1ccccc1NS(=O)(=O)N(CC)CC ZINC000264865476 204220658 /nfs/dbraw/zinc/22/06/58/204220658.db2.gz PMUZVXKVHUZMSL-UHFFFAOYSA-N 0 2 309.391 1.048 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2nc(C3CCCCC3)cs2)c1=O ZINC000567860040 304248742 /nfs/dbraw/zinc/24/87/42/304248742.db2.gz XVQRYHQDVIGHHT-UHFFFAOYSA-N 0 2 316.386 1.961 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCC[C@H]2O)cc1C#N ZINC000330719574 533078913 /nfs/dbraw/zinc/07/89/13/533078913.db2.gz DWWNJZMQNRGSNC-LDYMZIIASA-N 0 2 307.375 1.272 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(CC(C)(C)O)C2CC2)cc1C#N ZINC000331984281 533077613 /nfs/dbraw/zinc/07/76/13/533077613.db2.gz PDRGYEBKAYOPJK-UHFFFAOYSA-N 0 2 321.402 1.756 20 30 DDEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cn[nH]c2)c1 ZINC000090230649 407166370 /nfs/dbraw/zinc/16/63/70/407166370.db2.gz DLZKKORFCYEOAU-UHFFFAOYSA-N 0 2 306.347 1.126 20 30 DDEDLN CC(=O)c1cccc(S(=O)(=O)Nc2ccn(CCC#N)n2)c1 ZINC000117740778 407852539 /nfs/dbraw/zinc/85/25/39/407852539.db2.gz BFTFUSIALZTOPT-UHFFFAOYSA-N 0 2 318.358 1.800 20 30 DDEDLN CCn1cc(S(=O)(=O)Nc2ccccc2O[C@H](C)C#N)cn1 ZINC000272526422 407966109 /nfs/dbraw/zinc/96/61/09/407966109.db2.gz YIFFQBYNKKNJKS-LLVKDONJSA-N 0 2 320.374 1.995 20 30 DDEDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2c[nH]c(C#N)c2)c1 ZINC000182595549 408202665 /nfs/dbraw/zinc/20/26/65/408202665.db2.gz GEJIJFUBKGAFBY-UHFFFAOYSA-N 0 2 319.342 1.638 20 30 DDEDLN N#Cc1ccc(N2CCC[C@H](Sc3n[nH]c(=O)[nH]3)C2=O)cc1 ZINC000189437749 163100483 /nfs/dbraw/zinc/10/04/83/163100483.db2.gz WROGCTNLCXPPGJ-NSHDSACASA-N 0 2 315.358 1.670 20 30 DDEDLN O=C([C@H](F)C(F)(F)F)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000290051646 409293080 /nfs/dbraw/zinc/29/30/80/409293080.db2.gz MKFLBOZRRDAASR-YFKPBYRVSA-N 0 2 320.168 1.540 20 30 DDEDLN O=C(C(F)C(F)(F)F)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000290051646 409293084 /nfs/dbraw/zinc/29/30/84/409293084.db2.gz MKFLBOZRRDAASR-YFKPBYRVSA-N 0 2 320.168 1.540 20 30 DDEDLN Cn1cc(C#N)cc1C(=O)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000408072879 164218051 /nfs/dbraw/zinc/21/80/51/164218051.db2.gz OGMWSDZZJCSOLN-JTQLQIEISA-N 0 2 300.322 1.088 20 30 DDEDLN CC1(C)CCC[C@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408489978 164347724 /nfs/dbraw/zinc/34/77/24/164347724.db2.gz XQAMDBBJDVTBPU-LBPRGKRZSA-N 0 2 307.375 1.584 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)cc1O ZINC000332338763 410076866 /nfs/dbraw/zinc/07/68/66/410076866.db2.gz QPWQEBCYYXSHMN-NSHDSACASA-N 0 2 314.301 1.372 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)o3)C2)cc1O ZINC000332338763 410076874 /nfs/dbraw/zinc/07/68/74/410076874.db2.gz QPWQEBCYYXSHMN-NSHDSACASA-N 0 2 314.301 1.372 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](C)c2ccon2)cc1C#N ZINC000357953342 410332049 /nfs/dbraw/zinc/33/20/49/410332049.db2.gz ZTXJHYUAQHWHKE-SSDOTTSWSA-N 0 2 304.331 1.860 20 30 DDEDLN CN1CC[N@H+](C)[C@@H](C/N=C(/[O-])Cc2cn3ccsc3n2)C1 ZINC000329437678 410295073 /nfs/dbraw/zinc/29/50/73/410295073.db2.gz KAOJEVRXNLCMGL-LBPRGKRZSA-N 0 2 307.423 1.141 20 30 DDEDLN CN1CC[N@@H+](C)[C@@H](C/N=C(/[O-])Cc2cn3ccsc3n2)C1 ZINC000329437678 410295077 /nfs/dbraw/zinc/29/50/77/410295077.db2.gz KAOJEVRXNLCMGL-LBPRGKRZSA-N 0 2 307.423 1.141 20 30 DDEDLN NC(=O)[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC000378131531 418719385 /nfs/dbraw/zinc/71/93/85/418719385.db2.gz PJTNOQDZSSQLET-UOWFLXDJSA-N 0 2 310.169 1.009 20 30 DDEDLN NC(=O)[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC000378131531 418719386 /nfs/dbraw/zinc/71/93/86/418719386.db2.gz PJTNOQDZSSQLET-UOWFLXDJSA-N 0 2 310.169 1.009 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000437666104 420417310 /nfs/dbraw/zinc/41/73/10/420417310.db2.gz COBNUNVAIPNKJQ-UHFFFAOYSA-N 0 2 318.358 1.510 20 30 DDEDLN COc1ccc(OC)c(/C=C\C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000492894963 420702423 /nfs/dbraw/zinc/70/24/23/420702423.db2.gz JKQBFEXQNWBUEC-UTCJRWHESA-N 0 2 323.312 1.822 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCOC(C)(C)C)cc1C#N ZINC000520184689 421739717 /nfs/dbraw/zinc/73/97/17/421739717.db2.gz FPMKWMSMESEPII-UHFFFAOYSA-N 0 2 309.391 1.926 20 30 DDEDLN C=CCC[C@H](CO)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632425365 422332384 /nfs/dbraw/zinc/33/23/84/422332384.db2.gz PZTDPDDGVCMQOL-SECBINFHSA-N 0 2 320.798 1.811 20 30 DDEDLN CC[C@@H](C)[C@H](O)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000349783075 266367252 /nfs/dbraw/zinc/36/72/52/266367252.db2.gz JCCXQIXNGXFJCN-LDYMZIIASA-N 0 2 309.391 1.518 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1 ZINC000357497995 268161859 /nfs/dbraw/zinc/16/18/59/268161859.db2.gz SDZTUFBENZMTDY-UHFFFAOYSA-N 0 2 312.301 1.821 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)cc1 ZINC000572707314 304549957 /nfs/dbraw/zinc/54/99/57/304549957.db2.gz ZDZPEQZLSHVJJO-LLVKDONJSA-N 0 2 320.330 1.594 20 30 DDEDLN N#Cc1csc(C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[nH]2)c1 ZINC000329194772 303214583 /nfs/dbraw/zinc/21/45/83/303214583.db2.gz TWMOZKPCFMCVLP-VIFPVBQESA-N 0 2 303.347 1.811 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(C3CC3)s2)cn1 ZINC000567565940 308084417 /nfs/dbraw/zinc/08/44/17/308084417.db2.gz UEMIPCNCNQBCPU-UHFFFAOYSA-N 0 2 307.360 1.483 20 30 DDEDLN C#CCNS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000490697301 527045784 /nfs/dbraw/zinc/04/57/84/527045784.db2.gz KHKUBDUKROVIDF-UHFFFAOYSA-N 0 2 322.720 1.488 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1ccc(-c2nc[nH]n2)cc1F ZINC000424070093 529271315 /nfs/dbraw/zinc/27/13/15/529271315.db2.gz RFVYZJXLLWOVER-VIFPVBQESA-N 0 2 309.326 1.655 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736079005 600307466 /nfs/dbraw/zinc/30/74/66/600307466.db2.gz FPQYCQHOFITGCW-AWEZNQCLSA-N 0 2 301.346 1.490 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000736079005 600307470 /nfs/dbraw/zinc/30/74/70/600307470.db2.gz FPQYCQHOFITGCW-AWEZNQCLSA-N 0 2 301.346 1.490 20 30 DDEDLN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000738620847 602823095 /nfs/dbraw/zinc/82/30/95/602823095.db2.gz ZEGZENWATRIAFE-IUODEOHRSA-N 0 2 310.398 1.115 20 30 DDEDLN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000738620847 602823100 /nfs/dbraw/zinc/82/31/00/602823100.db2.gz ZEGZENWATRIAFE-IUODEOHRSA-N 0 2 310.398 1.115 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000833816095 605353452 /nfs/dbraw/zinc/35/34/52/605353452.db2.gz CEOPNJKBYPXHTB-DOMZBBRYSA-N 0 2 303.362 1.610 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000833816095 605353458 /nfs/dbraw/zinc/35/34/58/605353458.db2.gz CEOPNJKBYPXHTB-DOMZBBRYSA-N 0 2 303.362 1.610 20 30 DDEDLN N#C[C@H]1CN(C(=O)[O-])C[C@@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000833968150 605683591 /nfs/dbraw/zinc/68/35/91/605683591.db2.gz UNERLYVIILFQEN-ZFWWWQNUSA-N 0 2 311.345 1.464 20 30 DDEDLN CCc1ccc(OCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000122715323 696724349 /nfs/dbraw/zinc/72/43/49/696724349.db2.gz PMKBBQWKAXYKBN-AWEZNQCLSA-N 0 2 311.341 1.953 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N/CC2CCS(=O)(=O)CC2)c1 ZINC000157175177 696974251 /nfs/dbraw/zinc/97/42/51/696974251.db2.gz RNUSVUBHKKKGID-NTEUORMPSA-N 0 2 312.347 1.544 20 30 DDEDLN Nc1nc(Cl)cc(NN=Cc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000778544132 698346417 /nfs/dbraw/zinc/34/64/17/698346417.db2.gz CLYPPZAWWRCJSM-UHFFFAOYSA-N 0 2 308.685 1.772 20 30 DDEDLN C=CCNC(=O)c1ccccc1NS(=O)(=O)N(C)C(C)C ZINC000266310576 698518661 /nfs/dbraw/zinc/51/86/61/698518661.db2.gz SRJIKQXHVZCCBZ-UHFFFAOYSA-N 0 2 311.407 1.599 20 30 DDEDLN C=CCS(=O)(=O)CCNC(=O)c1cccc(Cl)c1O ZINC000783616794 698859513 /nfs/dbraw/zinc/85/95/13/698859513.db2.gz RSCWLPXHCJIOAP-UHFFFAOYSA-N 0 2 303.767 1.376 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000789401046 699384194 /nfs/dbraw/zinc/38/41/94/699384194.db2.gz XDDQVWBLRQMSLO-STQMWFEESA-N 0 2 307.309 1.682 20 30 DDEDLN CCn1nc(C)c(S(=O)(=O)Nc2cnn(CC#N)c2)c1C ZINC000741654006 699846851 /nfs/dbraw/zinc/84/68/51/699846851.db2.gz SNJIXZZLVAYRHZ-UHFFFAOYSA-N 0 2 308.367 1.041 20 30 DDEDLN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ncc(C#N)s1 ZINC000759151529 700739334 /nfs/dbraw/zinc/73/93/34/700739334.db2.gz MMLMAJZBPZLOFH-UHFFFAOYSA-N 0 2 317.783 1.511 20 30 DDEDLN C=CCN1c2ccccc2C(=NNc2nccnc2OC)C1=O ZINC000763413105 700937327 /nfs/dbraw/zinc/93/73/27/700937327.db2.gz XKTFDPYJLVDDFP-UHFFFAOYSA-N 0 2 309.329 1.834 20 30 DDEDLN Cc1noc(C)c1CCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770865193 701298332 /nfs/dbraw/zinc/29/83/32/701298332.db2.gz AWOFSAAILVEKKM-LBPRGKRZSA-N 0 2 300.318 1.549 20 30 DDEDLN Cc1csc([C@H](C#N)C(=O)[C@@H]2CCc3nnn(C)c3C2)n1 ZINC000810519827 701782045 /nfs/dbraw/zinc/78/20/45/701782045.db2.gz MJPSXAARWPPSCQ-NXEZZACHSA-N 0 2 301.375 1.561 20 30 DDEDLN N#CC(C(=O)[C@@H]1CCCN1C(=O)C(F)(F)F)c1ccncn1 ZINC000816019280 701992610 /nfs/dbraw/zinc/99/26/10/701992610.db2.gz FXNCJBLPPLGISO-WPRPVWTQSA-N 0 2 312.251 1.206 20 30 DDEDLN CC(C)N1CC[C@H]([NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)C1=O ZINC000826965982 705901882 /nfs/dbraw/zinc/90/18/82/705901882.db2.gz HRKGVQKJAXZDGS-KBPBESRZSA-N 0 2 301.346 1.283 20 30 DDEDLN CO[C@H](Cc1ccccc1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000835235864 707201972 /nfs/dbraw/zinc/20/19/72/707201972.db2.gz UKSQNOMGKXVKKM-UONOGXRCSA-N 0 2 311.341 1.569 20 30 DDEDLN N#C[C@H](C(=O)Cn1cc(Br)cn1)c1ccccn1 ZINC000916881332 713472144 /nfs/dbraw/zinc/47/21/44/713472144.db2.gz OGYVMNRJDIYVLV-JTQLQIEISA-N 0 2 305.135 1.917 20 30 DDEDLN CC#CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@H]21 ZINC001087306835 736011971 /nfs/dbraw/zinc/01/19/71/736011971.db2.gz OYXGBRIMCHAADR-PVAVHDDUSA-N 0 2 314.433 1.581 20 30 DDEDLN N#Cc1nc(Cl)c(NS(=O)(=O)c2ccco2)nc1C#N ZINC001186820427 744454085 /nfs/dbraw/zinc/45/40/85/744454085.db2.gz QTPWUCPWJSCNFF-UHFFFAOYSA-N 0 2 309.694 1.267 20 30 DDEDLN Cc1ncc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)[nH]1 ZINC001032961401 747783929 /nfs/dbraw/zinc/78/39/29/747783929.db2.gz RFRVNENVHANOKS-MRXNPFEDSA-N 0 2 323.400 1.936 20 30 DDEDLN CCN(CCNc1cnc(C#N)cn1)C(=O)C(F)C(F)(F)F ZINC001106975951 748456147 /nfs/dbraw/zinc/45/61/47/748456147.db2.gz LTYFRJWVGBKAJH-SNVBAGLBSA-N 0 2 319.262 1.509 20 30 DDEDLN CCN(CCNc1cnc(C#N)cn1)C(=O)[C@@H](F)C(F)(F)F ZINC001106975951 748456154 /nfs/dbraw/zinc/45/61/54/748456154.db2.gz LTYFRJWVGBKAJH-SNVBAGLBSA-N 0 2 319.262 1.509 20 30 DDEDLN N#Cc1cccnc1NC/C=C/CNC(=O)C(F)C(F)(F)F ZINC001107559569 750137747 /nfs/dbraw/zinc/13/77/47/750137747.db2.gz LDGJHANYUGLOKR-TXXBHVLJSA-N 0 2 316.258 1.938 20 30 DDEDLN N#Cc1cccnc1NC/C=C/CNC(=O)[C@@H](F)C(F)(F)F ZINC001107559569 750137752 /nfs/dbraw/zinc/13/77/52/750137752.db2.gz LDGJHANYUGLOKR-TXXBHVLJSA-N 0 2 316.258 1.938 20 30 DDEDLN C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CCC)CO2 ZINC001053822092 758851473 /nfs/dbraw/zinc/85/14/73/758851473.db2.gz GAXCKQFWVPPCQC-CVEARBPZSA-N 0 2 321.465 1.396 20 30 DDEDLN CC#CC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085855762 760393112 /nfs/dbraw/zinc/39/31/12/760393112.db2.gz INUIQZUDYVKMMM-DLBZAZTESA-N 0 2 305.466 1.805 20 30 DDEDLN CN(CCCNc1ccc(C#N)nn1)C(=O)C(F)C(F)(F)F ZINC001109645817 763907303 /nfs/dbraw/zinc/90/73/03/763907303.db2.gz VRGIGAJYQTWJJD-JTQLQIEISA-N 0 2 319.262 1.509 20 30 DDEDLN CN(CCCNc1ccc(C#N)nn1)C(=O)[C@H](F)C(F)(F)F ZINC001109645817 763907308 /nfs/dbraw/zinc/90/73/08/763907308.db2.gz VRGIGAJYQTWJJD-JTQLQIEISA-N 0 2 319.262 1.509 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001098327619 764303381 /nfs/dbraw/zinc/30/33/81/764303381.db2.gz MFHCBTRNTLOJMS-GMSGAONNSA-N 0 2 304.247 1.192 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001098327619 764303385 /nfs/dbraw/zinc/30/33/85/764303385.db2.gz MFHCBTRNTLOJMS-GMSGAONNSA-N 0 2 304.247 1.192 20 30 DDEDLN Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)C(F)C(F)(F)F)n1 ZINC001098327611 764303684 /nfs/dbraw/zinc/30/36/84/764303684.db2.gz MDFUGUORICMBIP-IONNQARKSA-N 0 2 319.262 1.474 20 30 DDEDLN Cc1cc(C#N)nc(N[C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F)n1 ZINC001098327611 764303690 /nfs/dbraw/zinc/30/36/90/764303690.db2.gz MDFUGUORICMBIP-IONNQARKSA-N 0 2 319.262 1.474 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccc(C#N)nn1 ZINC001113935207 766426532 /nfs/dbraw/zinc/42/65/32/766426532.db2.gz VUWGUWMCYMPYTD-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1ccc(C#N)nn1 ZINC001113935207 766426544 /nfs/dbraw/zinc/42/65/44/766426544.db2.gz VUWGUWMCYMPYTD-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001130481313 767557362 /nfs/dbraw/zinc/55/73/62/767557362.db2.gz PMJDQXOUJHSKRP-MRXNPFEDSA-N 0 2 323.400 1.223 20 30 DDEDLN C[C@H](CCNC(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001099742026 775209157 /nfs/dbraw/zinc/20/91/57/775209157.db2.gz GNYHTYFTELCCTD-APPZFPTMSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNC(=O)[C@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001099742026 775209161 /nfs/dbraw/zinc/20/91/61/775209161.db2.gz GNYHTYFTELCCTD-APPZFPTMSA-N 0 2 319.262 1.555 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1cnc(C#N)cn1 ZINC001100748230 776496712 /nfs/dbraw/zinc/49/67/12/776496712.db2.gz TYXUQOMZAOBQEJ-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN CCN(CCNC(=O)[C@H](F)C(F)(F)F)c1cnc(C#N)cn1 ZINC001100748230 776496717 /nfs/dbraw/zinc/49/67/17/776496717.db2.gz TYXUQOMZAOBQEJ-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN CC[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001103340468 778800555 /nfs/dbraw/zinc/80/05/55/778800555.db2.gz DIBRBLCYTIPGPO-MWLCHTKSSA-N 0 2 318.274 1.582 20 30 DDEDLN CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001103340468 778800562 /nfs/dbraw/zinc/80/05/62/778800562.db2.gz DIBRBLCYTIPGPO-MWLCHTKSSA-N 0 2 318.274 1.582 20 30 DDEDLN C=C[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001269269195 841447104 /nfs/dbraw/zinc/44/71/04/841447104.db2.gz VKLJVUXAIIXSFB-VXGBXAGGSA-N 0 2 307.398 1.145 20 30 DDEDLN C=C[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001269269195 841447109 /nfs/dbraw/zinc/44/71/09/841447109.db2.gz VKLJVUXAIIXSFB-VXGBXAGGSA-N 0 2 307.398 1.145 20 30 DDEDLN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1nn(C)cc1O ZINC001412771637 855245557 /nfs/dbraw/zinc/24/55/57/855245557.db2.gz UNODJVQPZJUCTF-LEWSCRJBSA-N 0 2 310.357 1.978 20 30 DDEDLN CSCc1ccc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)cc1 ZINC001412869507 855742409 /nfs/dbraw/zinc/74/24/09/855742409.db2.gz LMVAJCKMNGPGLA-UHFFFAOYSA-N 0 2 302.359 1.552 20 30 DDEDLN COc1ccc2ncc(O)c(C(=O)Nc3nc[nH]c3C#N)c2c1 ZINC001154507317 861155704 /nfs/dbraw/zinc/15/57/04/861155704.db2.gz QJEGZZQZLYIHAS-UHFFFAOYSA-N 0 2 309.285 1.796 20 30 DDEDLN COC(=O)n1ncc(C#N)c1Nc1cc(OC)c([N+](=O)[O-])cn1 ZINC001158965285 865001885 /nfs/dbraw/zinc/00/18/85/865001885.db2.gz OBIWVSVCASREEI-UHFFFAOYSA-N 0 2 318.249 1.425 20 30 DDEDLN COc1c(NCCNC(=O)C(F)(F)F)ccc(F)c1C#N ZINC001164250957 869059696 /nfs/dbraw/zinc/05/96/96/869059696.db2.gz ILHJLBFUHPFBBC-UHFFFAOYSA-N 0 2 305.231 1.796 20 30 DDEDLN C#C[C@@H]1CCCN(c2nnc(-c3c[nH]n(CC)c3=O)n2C)C1 ZINC001338487896 870010100 /nfs/dbraw/zinc/01/01/00/870010100.db2.gz KUMCDDSUDXZTMQ-LLVKDONJSA-N 0 2 300.366 1.254 20 30 DDEDLN C=CCCC(=O)N1CCC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001297657802 870126075 /nfs/dbraw/zinc/12/60/75/870126075.db2.gz BCMQUPVXLCXSSM-MWLCHTKSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)N1CCC[C@@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001297657802 870126086 /nfs/dbraw/zinc/12/60/86/870126086.db2.gz BCMQUPVXLCXSSM-MWLCHTKSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCO[C@@H](CC)C1 ZINC001340734153 871315239 /nfs/dbraw/zinc/31/52/39/871315239.db2.gz ZGQKOIUZWXRJGZ-VIFPVBQESA-N 0 2 323.788 1.518 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)CCCCC(N)=O)n1 ZINC001343478338 872640823 /nfs/dbraw/zinc/64/08/23/872640823.db2.gz ORRZVQMMPMDSES-VIFPVBQESA-N 0 2 323.374 1.542 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001344467375 873013101 /nfs/dbraw/zinc/01/31/01/873013101.db2.gz YFVMQJCHSQNPBS-YRGRVCCFSA-N 0 2 301.346 1.659 20 30 DDEDLN C=C[C@@H](Oc1[nH]c(=O)nc2c(=O)[nH]c(=O)[nH]c21)c1ccccc1 ZINC001226886524 882702354 /nfs/dbraw/zinc/70/23/54/882702354.db2.gz OOMNXSBDXJBEMS-SECBINFHSA-N 0 2 312.285 1.843 20 30 DDEDLN CC(C)C#CC(=O)NC[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001356993526 879667853 /nfs/dbraw/zinc/66/78/53/879667853.db2.gz QWPJWLLFWFWYPM-PWSUYJOCSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)NC[C@H]1CCCN1C(=O)[C@H](F)C(F)(F)F ZINC001356993526 879667866 /nfs/dbraw/zinc/66/78/66/879667866.db2.gz QWPJWLLFWFWYPM-PWSUYJOCSA-N 0 2 322.302 1.653 20 30 DDEDLN N#CC1(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC2(CC2)C1 ZINC001362738746 884521013 /nfs/dbraw/zinc/52/10/13/884521013.db2.gz LVOHNMRVQRVJSI-JTQLQIEISA-N 0 2 301.350 1.300 20 30 DDEDLN COc1cc(C(=O)N[C@@H](C)c2nn(C)cc2O)ccc1C#N ZINC001364398374 888542091 /nfs/dbraw/zinc/54/20/91/888542091.db2.gz KURIUFCZPWNCNJ-VIFPVBQESA-N 0 2 300.318 1.497 20 30 DDEDLN C[C@H](O)c1ccnc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC001258053950 898036661 /nfs/dbraw/zinc/03/66/61/898036661.db2.gz SOTKTVVFZRCTKK-JTQLQIEISA-N 0 2 303.343 1.807 20 30 DDEDLN CC(=O)c1ccncc1NS(=O)(=O)c1cccc(C#N)c1 ZINC001259118756 898476803 /nfs/dbraw/zinc/47/68/03/898476803.db2.gz XPLBJKGRWMWRAH-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN N#CC(C(=O)C1(n2cnnn2)CCCCC1)c1cccc(F)n1 ZINC001263385433 900598694 /nfs/dbraw/zinc/59/86/94/900598694.db2.gz SMEUSVNBYKJRDL-NSHDSACASA-N 0 2 314.324 1.743 20 30 DDEDLN CC(C)(C)C#CC(=O)N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001283348522 907191279 /nfs/dbraw/zinc/19/12/79/907191279.db2.gz YJLGGAJLTFNGQB-KOLCDFICSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)(C)C#CC(=O)N[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001283348522 907191293 /nfs/dbraw/zinc/19/12/93/907191293.db2.gz YJLGGAJLTFNGQB-KOLCDFICSA-N 0 2 322.302 1.653 20 30 DDEDLN CN(C(=O)C#CC1CC1)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001283384758 907267726 /nfs/dbraw/zinc/26/77/26/907267726.db2.gz MZDFFILUVBVECF-PWSUYJOCSA-N 0 2 320.286 1.360 20 30 DDEDLN CN(C(=O)C#CC1CC1)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001283384758 907267743 /nfs/dbraw/zinc/26/77/43/907267743.db2.gz MZDFFILUVBVECF-PWSUYJOCSA-N 0 2 320.286 1.360 20 30 DDEDLN C=CCCOCC(=O)NCCN(C)C(=O)C(F)C(F)(F)F ZINC001284541699 909162257 /nfs/dbraw/zinc/16/22/57/909162257.db2.gz CNIYWSIASPSZDY-JTQLQIEISA-N 0 2 314.279 1.054 20 30 DDEDLN C=CCCOCC(=O)NCCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001284541699 909162264 /nfs/dbraw/zinc/16/22/64/909162264.db2.gz CNIYWSIASPSZDY-JTQLQIEISA-N 0 2 314.279 1.054 20 30 DDEDLN CCCN(CCNC(=O)C#CC(C)C)C(=O)C(F)C(F)(F)F ZINC001284703843 909376492 /nfs/dbraw/zinc/37/64/92/909376492.db2.gz VNQOAGLBGLKPED-LBPRGKRZSA-N 0 2 324.318 1.901 20 30 DDEDLN CCCN(CCNC(=O)C#CC(C)C)C(=O)[C@H](F)C(F)(F)F ZINC001284703843 909376512 /nfs/dbraw/zinc/37/65/12/909376512.db2.gz VNQOAGLBGLKPED-LBPRGKRZSA-N 0 2 324.318 1.901 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2noc(C3CC3)n2)ccc1C#N ZINC000278536136 214220743 /nfs/dbraw/zinc/22/07/43/214220743.db2.gz WFUQHHNKXKDLIO-UHFFFAOYSA-N 0 2 304.331 1.928 20 30 DDEDLN C[N@@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N=c2cn[n-]s2)C1 ZINC000330217462 529782850 /nfs/dbraw/zinc/78/28/50/529782850.db2.gz ILUDSTWTEVARRP-LLVKDONJSA-N 0 2 311.411 1.126 20 30 DDEDLN C[N@H+]1CCO[C@@H](CN(CC2CC2)C(=O)N=c2cn[n-]s2)C1 ZINC000330217462 529782851 /nfs/dbraw/zinc/78/28/51/529782851.db2.gz ILUDSTWTEVARRP-LLVKDONJSA-N 0 2 311.411 1.126 20 30 DDEDLN N#C[C@]1(F)CCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000615825757 362454671 /nfs/dbraw/zinc/45/46/71/362454671.db2.gz NJWXNSOMRYZSFP-OAHLLOKOSA-N 0 2 318.283 1.795 20 30 DDEDLN C=CCC[C@@H](CO)NC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000616100289 362545849 /nfs/dbraw/zinc/54/58/49/362545849.db2.gz KIQGQKVTYPOHNY-LBPRGKRZSA-N 0 2 303.318 1.087 20 30 DDEDLN CC(C)n1ncc2cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cnc21 ZINC000026268614 352207279 /nfs/dbraw/zinc/20/72/79/352207279.db2.gz DXBJCBUEMGVMAD-UHFFFAOYSA-N 0 2 320.316 1.731 20 30 DDEDLN Cc1cc([C@H](C#N)C(=O)c2cnc3ccccn3c2=O)nc(C)n1 ZINC000041561019 352308892 /nfs/dbraw/zinc/30/88/92/352308892.db2.gz PKFPMTVMDSXXMO-LBPRGKRZSA-N 0 2 319.324 1.591 20 30 DDEDLN Cc1cc(C(C#N)C(=O)c2cnc3ccccn3c2=O)nc(C)n1 ZINC000041561019 352308896 /nfs/dbraw/zinc/30/88/96/352308896.db2.gz PKFPMTVMDSXXMO-LBPRGKRZSA-N 0 2 319.324 1.591 20 30 DDEDLN O=C(NC1=NC(=O)CN1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000050222260 352564073 /nfs/dbraw/zinc/56/40/73/352564073.db2.gz GQOLYKGAQTVKFL-GFCCVEGCSA-N 0 2 303.318 1.035 20 30 DDEDLN COCCn1cc(NS(=O)(=O)c2cc(C#N)ccc2C)cn1 ZINC000073353902 191308460 /nfs/dbraw/zinc/30/84/60/191308460.db2.gz JCGNKWFQRGQQST-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN COC(=O)CC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)C(=O)OC ZINC000276528568 291045298 /nfs/dbraw/zinc/04/52/98/291045298.db2.gz BWPCJVYRBUFCCX-OXFWXOROSA-N 0 2 324.289 1.214 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N2CCC[C@@](C)(C#N)C2)c1 ZINC000591777866 355383626 /nfs/dbraw/zinc/38/36/26/355383626.db2.gz KUGVTQOZEWSIEK-AOMKIAJQSA-N 0 2 320.414 1.955 20 30 DDEDLN N#Cc1ccc(C(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)cc1O ZINC000594387157 356192637 /nfs/dbraw/zinc/19/26/37/356192637.db2.gz UDIFBHWPFNREQJ-LBPRGKRZSA-N 0 2 313.317 1.163 20 30 DDEDLN CCN(C(=O)c1cc(C#N)c(SC)[nH]c1=O)c1cnn(C)c1 ZINC000594402720 356198463 /nfs/dbraw/zinc/19/84/63/356198463.db2.gz OKVDKTRNUIZNCV-UHFFFAOYSA-N 0 2 317.374 1.781 20 30 DDEDLN COCc1nnc(CNC(=O)[C@H](C#N)CCc2ccccc2)[nH]1 ZINC000598049909 357443069 /nfs/dbraw/zinc/44/30/69/357443069.db2.gz JNFDHVJDMLJBLA-ZDUSSCGKSA-N 0 2 313.361 1.340 20 30 DDEDLN CCO[C@H](CS(=O)(=O)Nc1ccn(CCC#N)n1)C1CC1 ZINC000600651425 358275085 /nfs/dbraw/zinc/27/50/85/358275085.db2.gz WVZUCJBIGPYVDR-GFCCVEGCSA-N 0 2 312.395 1.354 20 30 DDEDLN N#CCN1CCC(NC(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000610879160 360559985 /nfs/dbraw/zinc/55/99/85/360559985.db2.gz GZJWWTNMIRYGEQ-UHFFFAOYSA-N 0 2 311.744 1.902 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1ncc(C(N)=O)s1 ZINC000172674908 162293140 /nfs/dbraw/zinc/29/31/40/162293140.db2.gz CCAUTUGBQAMELP-UHFFFAOYSA-N 0 2 322.371 1.223 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1c(C)nn(C)c1C ZINC000274739609 408515267 /nfs/dbraw/zinc/51/52/67/408515267.db2.gz LBAZLIKQOAMIIA-UHFFFAOYSA-N 0 2 320.374 1.718 20 30 DDEDLN COCCCn1nccc1C=CC(=O)c1c(O)cc(C)oc1=O ZINC000283142243 409097151 /nfs/dbraw/zinc/09/71/51/409097151.db2.gz YIFATEADXVHESK-MBVDDHJVSA-N 0 2 318.329 1.148 20 30 DDEDLN COc1ccc(OC)c(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000320089093 164040349 /nfs/dbraw/zinc/04/03/49/164040349.db2.gz FUQHGMLFOSLJDR-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN CO[C@H]1CCC[C@@H]1CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000342560746 409723773 /nfs/dbraw/zinc/72/37/73/409723773.db2.gz GBUNXUYCMAZRCU-SKDRFNHKSA-N 0 2 321.402 1.926 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2ccnc(N3CC[C@H](C)C3)c2)c1C#N ZINC000357263095 409952237 /nfs/dbraw/zinc/95/22/37/409952237.db2.gz UAROJFUKCGSADR-JTQLQIEISA-N 0 2 310.361 2.083 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2ncsc2C(F)(F)F)c1C#N ZINC000357249188 409953093 /nfs/dbraw/zinc/95/30/93/409953093.db2.gz WZERCBPBCXTHOO-UHFFFAOYSA-N 0 2 301.253 2.317 20 30 DDEDLN CC(C)Cc1nnc(NS(=O)(=O)c2cncc(C#N)c2)o1 ZINC000357398039 410014621 /nfs/dbraw/zinc/01/46/21/410014621.db2.gz FBAHXEPYDAOWBH-UHFFFAOYSA-N 0 2 307.335 1.336 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCc2cc(C)no2)cc1C#N ZINC000343161895 410197606 /nfs/dbraw/zinc/19/76/06/410197606.db2.gz WNEMGTBXTPKFHP-UHFFFAOYSA-N 0 2 318.358 1.650 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1cc(OC)ccc1NC(C)=O ZINC000360211619 411102323 /nfs/dbraw/zinc/10/23/23/411102323.db2.gz ITFQFWRLVQUKLC-NSHDSACASA-N 0 2 311.363 1.697 20 30 DDEDLN C=CC[C@H](CC)NS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000281435885 222553714 /nfs/dbraw/zinc/55/37/14/222553714.db2.gz GVGIZIQGRXDXGR-QMMMGPOBSA-N 0 2 324.362 1.069 20 30 DDEDLN Cc1cc(C(=O)NCC2(C#N)CCC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000416349117 420338535 /nfs/dbraw/zinc/33/85/35/420338535.db2.gz XREDTQOFJNMJEX-UHFFFAOYSA-N 0 2 313.317 1.168 20 30 DDEDLN N#CCN1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000436969818 420389811 /nfs/dbraw/zinc/38/98/11/420389811.db2.gz AQRSGWFVBFQYSI-UHFFFAOYSA-N 0 2 318.333 1.266 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2nc3ccccn3n2)ccc1C#N ZINC000446758685 420765438 /nfs/dbraw/zinc/76/54/38/420765438.db2.gz BJUDMINBBKZVDS-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN Cc1cc([C@H](C#N)C(=O)c2cncc(N3CCCC3)n2)nc(C)n1 ZINC000633900273 422142375 /nfs/dbraw/zinc/14/23/75/422142375.db2.gz OQBDCRFEBZBGIP-ZDUSSCGKSA-N 0 2 322.372 1.974 20 30 DDEDLN C=CCC1(CNC(=O)C(=O)N=c2ncn(C(C)C)[nH]2)CCCC1 ZINC000651839474 423705772 /nfs/dbraw/zinc/70/57/72/423705772.db2.gz HOCWLIWJSZBWQW-UHFFFAOYSA-N 0 2 319.409 1.472 20 30 DDEDLN Cc1ccc(C#N)c(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000374253349 267375541 /nfs/dbraw/zinc/37/55/41/267375541.db2.gz HSTJXGAIQCGMLS-HNNXBMFYSA-N 0 2 313.449 1.866 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCOC[C@@H]2C2CC2)cc1C#N ZINC000089978018 281031187 /nfs/dbraw/zinc/03/11/87/281031187.db2.gz ODGAVEPOMYGQJQ-GFCCVEGCSA-N 0 2 319.386 1.632 20 30 DDEDLN N#C[C@@]1(NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)CCOC1 ZINC000358438550 303165630 /nfs/dbraw/zinc/16/56/30/303165630.db2.gz AZTCJKJCEPJVOV-HNNXBMFYSA-N 0 2 316.292 1.129 20 30 DDEDLN N#Cc1cccc([N+](=O)[O-])c1N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000425263523 303205506 /nfs/dbraw/zinc/20/55/06/303205506.db2.gz UVPZJVPLUWFMSZ-UHFFFAOYSA-N 0 2 314.305 1.674 20 30 DDEDLN CCCn1c(C)cc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)c1C ZINC000581070997 308651728 /nfs/dbraw/zinc/65/17/28/308651728.db2.gz FKHCEERRSWZVRF-UHFFFAOYSA-N 0 2 314.345 1.120 20 30 DDEDLN C=C(C)[C@@H](NC(=O)c1n[nH]c(=O)[nH]c1=O)c1ccc(F)c(F)c1 ZINC000681358885 486412591 /nfs/dbraw/zinc/41/25/91/486412591.db2.gz QBRRLMRBRRTHIE-SNVBAGLBSA-N 0 2 322.271 1.608 20 30 DDEDLN CC(=O)NCC[N@H+](CC#Cc1ccc(Cl)cc1)[C@@H](C)C(=O)[O-] ZINC000819770255 597677274 /nfs/dbraw/zinc/67/72/74/597677274.db2.gz LYUAVKZJLJMBBQ-LBPRGKRZSA-N 0 2 322.792 1.603 20 30 DDEDLN CC(=O)NCC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H](C)C(=O)[O-] ZINC000819770255 597677277 /nfs/dbraw/zinc/67/72/77/597677277.db2.gz LYUAVKZJLJMBBQ-LBPRGKRZSA-N 0 2 322.792 1.603 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000739587375 601982167 /nfs/dbraw/zinc/98/21/67/601982167.db2.gz WMPGPRHRKULVKX-AWEZNQCLSA-N 0 2 316.361 1.571 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000739587375 601982170 /nfs/dbraw/zinc/98/21/70/601982170.db2.gz WMPGPRHRKULVKX-AWEZNQCLSA-N 0 2 316.361 1.571 20 30 DDEDLN C=CCN(CC(F)(F)F)C(=O)C[NH+]1CCC(NC(=O)[O-])CC1 ZINC000823501246 605673439 /nfs/dbraw/zinc/67/34/39/605673439.db2.gz SJHVLYVGFCMZKB-UHFFFAOYSA-N 0 2 323.315 1.295 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cn1ccc2ccccc21 ZINC000122899231 696726727 /nfs/dbraw/zinc/72/67/27/696726727.db2.gz CLKNCMRACVKECA-ZDUSSCGKSA-N 0 2 306.325 1.967 20 30 DDEDLN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)COC[C@@H]1CCCO1 ZINC000113650841 696658101 /nfs/dbraw/zinc/65/81/01/696658101.db2.gz NAWSSGHZZHMVAR-STQMWFEESA-N 0 2 313.357 1.945 20 30 DDEDLN O=C(C[C@H]1SC(=Nc2cccc(F)c2)NC1=O)NC1CC1 ZINC000748283465 700109050 /nfs/dbraw/zinc/10/90/50/700109050.db2.gz GMKDTGDHJLKCNX-LLVKDONJSA-N 0 2 307.350 1.714 20 30 DDEDLN O=C(C/N=C/c1cc([N+](=O)[O-])ccc1O)Nc1cccnc1 ZINC000131215855 696805003 /nfs/dbraw/zinc/80/50/03/696805003.db2.gz XGQPWFRRLHTFSN-FRKPEAEDSA-N 0 2 300.274 1.753 20 30 DDEDLN C#CCOC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000155932045 696955621 /nfs/dbraw/zinc/95/56/21/696955621.db2.gz DYVDFUKDRVXDII-UHFFFAOYSA-N 0 2 322.367 1.734 20 30 DDEDLN C#CCOc1cc(F)ccc1NC(=O)CC1SC(=N)NC1=O ZINC000742708684 699887544 /nfs/dbraw/zinc/88/75/44/699887544.db2.gz WVAKPOUERPBGKK-NSHDSACASA-N 0 2 321.333 1.333 20 30 DDEDLN CCNC(=O)N1CC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1 ZINC000760212259 700797425 /nfs/dbraw/zinc/79/74/25/700797425.db2.gz JTADPJDUWGHGMS-OUZNOSRWSA-N 0 2 306.322 1.523 20 30 DDEDLN C[C@@H]1CC(=[NH+]C([O-])=C2CCCN(c3ccccc3)C2=O)NO1 ZINC000815885562 701957948 /nfs/dbraw/zinc/95/79/48/701957948.db2.gz RVAOHYSANJCWSA-DGCLKSJQSA-N 0 2 301.346 1.668 20 30 DDEDLN N#CC(C(=O)CN1CCCCC1=O)c1cnc2ccccc2n1 ZINC000816045684 701999771 /nfs/dbraw/zinc/99/97/71/701999771.db2.gz TYVXUXLNOFTNHF-GFCCVEGCSA-N 0 2 308.341 1.819 20 30 DDEDLN C=CCN(Cc1ccc(F)c(F)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000876629662 705792272 /nfs/dbraw/zinc/79/22/72/705792272.db2.gz LLBBTXHCILVASV-LLVKDONJSA-N 0 2 317.357 1.846 20 30 DDEDLN C[C@@H]1C[C@@H]1/N=C1/NC(=O)[C@@H](CC(=O)NCC(F)(F)F)S1 ZINC000864344554 706143016 /nfs/dbraw/zinc/14/30/16/706143016.db2.gz BAPXTGYJZVLEOG-DSYKOEDSSA-N 0 2 309.313 1.051 20 30 DDEDLN C[C@@H](c1cccc(C#N)c1)n1cc(CNC(=O)C(F)(F)F)nn1 ZINC000881341100 707203653 /nfs/dbraw/zinc/20/36/53/707203653.db2.gz ZKWDJNAQFZXQCQ-VIFPVBQESA-N 0 2 323.278 1.938 20 30 DDEDLN C=CCC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C(=O)[O-] ZINC000909718494 709595176 /nfs/dbraw/zinc/59/51/76/709595176.db2.gz PCNPCNYCKOHSHM-CABCVRRESA-N 0 2 317.389 1.582 20 30 DDEDLN C=CCC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)C(=O)[O-] ZINC000909718494 709595178 /nfs/dbraw/zinc/59/51/78/709595178.db2.gz PCNPCNYCKOHSHM-CABCVRRESA-N 0 2 317.389 1.582 20 30 DDEDLN C[C@H]1CC[N@H+](C[C@H](O)CC#N)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000930489977 713847669 /nfs/dbraw/zinc/84/76/69/713847669.db2.gz XXLZZMKGZQMCFK-MMWGEVLESA-N 0 2 307.316 1.038 20 30 DDEDLN C[C@H]1CC[N@@H+](C[C@H](O)CC#N)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000930489977 713847672 /nfs/dbraw/zinc/84/76/72/713847672.db2.gz XXLZZMKGZQMCFK-MMWGEVLESA-N 0 2 307.316 1.038 20 30 DDEDLN N#Cc1c(C(F)(F)F)cc(=O)[nH]c1SCC(=O)OCCO ZINC000925048877 714737217 /nfs/dbraw/zinc/73/72/17/714737217.db2.gz CUCNFELWUKQNQN-UHFFFAOYSA-N 0 2 322.264 1.305 20 30 DDEDLN Cc1cc(/C=N/[S@](=O)C(C)(C)C)cc(N[C@@H]2CO[N-]C2=O)[nH+]1 ZINC001167514267 734651485 /nfs/dbraw/zinc/65/14/85/734651485.db2.gz VVORMSAUWYNOGA-IMUZJDFISA-N 0 2 324.406 1.113 20 30 DDEDLN C=CCO[C@H]1CCN(c2nnc(-c3c[nH]n(CC)c3=O)n2C)C1 ZINC001121423789 782502973 /nfs/dbraw/zinc/50/29/73/782502973.db2.gz ASBNDWLGPKWJMW-NSHDSACASA-N 0 2 318.381 1.185 20 30 DDEDLN C=CCOCC(=O)NCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001075920987 741990697 /nfs/dbraw/zinc/99/06/97/741990697.db2.gz CRWSLXPHKJCEPE-WCBMZHEXSA-N 0 2 314.279 1.100 20 30 DDEDLN C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001075920987 741990700 /nfs/dbraw/zinc/99/07/00/741990700.db2.gz CRWSLXPHKJCEPE-WCBMZHEXSA-N 0 2 314.279 1.100 20 30 DDEDLN N#Cc1c(N)nn(C(=O)c2cc(-c3ccccc3F)n[nH]2)c1N ZINC001188016755 744651329 /nfs/dbraw/zinc/65/13/29/744651329.db2.gz ONSFLANVDXBNPH-UHFFFAOYSA-N 0 2 311.280 1.137 20 30 DDEDLN Cn1cnc(NS(=O)(=O)CCc2ccc(Cl)cc2)c1C#N ZINC001189075092 744822747 /nfs/dbraw/zinc/82/27/47/744822747.db2.gz DNALVNSJHLLCBA-UHFFFAOYSA-N 0 2 324.793 1.930 20 30 DDEDLN C=C[C@H]1C[C@]1(NC(=O)c1ccc(F)c(F)c1O)C(=O)OCC ZINC001192810955 745901516 /nfs/dbraw/zinc/90/15/16/745901516.db2.gz MURRIZGMXZVOFA-VXJOIVPMSA-N 0 2 311.284 1.908 20 30 DDEDLN COC(=O)c1cc(F)c(NS(=O)(=O)[C@@H](C)C#N)cc1F ZINC001193161220 746002845 /nfs/dbraw/zinc/00/28/45/746002845.db2.gz NNQLGAZZPQQIDR-LURJTMIESA-N 0 2 304.274 1.405 20 30 DDEDLN COc1nc(NC(=O)c2cccc(C#N)c2O)c(C)c(OC)n1 ZINC001193642473 746159502 /nfs/dbraw/zinc/15/95/02/746159502.db2.gz GFUQNDGZKSMGGD-UHFFFAOYSA-N 0 2 314.301 1.632 20 30 DDEDLN C#CCCCC(=O)NCC1(NC(=O)C(F)C(F)(F)F)CCC1 ZINC001062862791 753768878 /nfs/dbraw/zinc/76/88/78/753768878.db2.gz KNPVLMULRHCBKH-NSHDSACASA-N 0 2 322.302 1.845 20 30 DDEDLN C#CCCCC(=O)NCC1(NC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001062862791 753768884 /nfs/dbraw/zinc/76/88/84/753768884.db2.gz KNPVLMULRHCBKH-NSHDSACASA-N 0 2 322.302 1.845 20 30 DDEDLN C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC001084975781 758114907 /nfs/dbraw/zinc/11/49/07/758114907.db2.gz SVQLDXPIRLENCA-OAGGEKHMSA-N 0 2 314.433 1.554 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ncccc1C#N ZINC001098327714 764299496 /nfs/dbraw/zinc/29/94/96/764299496.db2.gz NGFPMEWLTVIRNY-VXNVDRBHSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ncccc1C#N ZINC001098327714 764299506 /nfs/dbraw/zinc/29/95/06/764299506.db2.gz NGFPMEWLTVIRNY-VXNVDRBHSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nc1 ZINC001098328608 768291938 /nfs/dbraw/zinc/29/19/38/768291938.db2.gz ZEVJSVUEOAAVJW-GMSGAONNSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ccc(C#N)nc1 ZINC001098328608 768291941 /nfs/dbraw/zinc/29/19/41/768291941.db2.gz ZEVJSVUEOAAVJW-GMSGAONNSA-N 0 2 304.247 1.770 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132217830 768690050 /nfs/dbraw/zinc/69/00/50/768690050.db2.gz HNNZSSDTPDBVFY-MNOVXSKESA-N 0 2 307.398 1.192 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132217830 768690055 /nfs/dbraw/zinc/69/00/55/768690055.db2.gz HNNZSSDTPDBVFY-MNOVXSKESA-N 0 2 307.398 1.192 20 30 DDEDLN C#CCCCC(=O)N[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001070840893 768751865 /nfs/dbraw/zinc/75/18/65/768751865.db2.gz KZZMRAXJOUMISM-ZYHUDNBSSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001070840893 768751868 /nfs/dbraw/zinc/75/18/68/768751868.db2.gz KZZMRAXJOUMISM-ZYHUDNBSSA-N 0 2 322.302 1.798 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1cncc(C#N)n1 ZINC001100748179 776496236 /nfs/dbraw/zinc/49/62/36/776496236.db2.gz SCTSBEDMCUKWLK-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN CCN(CCNC(=O)[C@@H](F)C(F)(F)F)c1cncc(C#N)n1 ZINC001100748179 776496243 /nfs/dbraw/zinc/49/62/43/776496243.db2.gz SCTSBEDMCUKWLK-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN N#Cc1cncc(NCCCNC(=O)C(F)C(F)(F)F)n1 ZINC001094846180 776499183 /nfs/dbraw/zinc/49/91/83/776499183.db2.gz NOBDNBSBOMBFOG-SECBINFHSA-N 0 2 305.235 1.167 20 30 DDEDLN N#Cc1cncc(NCCCNC(=O)[C@@H](F)C(F)(F)F)n1 ZINC001094846180 776499186 /nfs/dbraw/zinc/49/91/86/776499186.db2.gz NOBDNBSBOMBFOG-SECBINFHSA-N 0 2 305.235 1.167 20 30 DDEDLN C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]c3c1CCCC3)C2 ZINC001095771907 855336491 /nfs/dbraw/zinc/33/64/91/855336491.db2.gz DSGNJEMNPZAPST-KMFMINBZSA-N 0 2 314.433 1.669 20 30 DDEDLN N#CC(C(=O)NC1CC1)=C([O-])c1cccc(Cn2cc[nH+]c2)c1 ZINC001122542418 858875401 /nfs/dbraw/zinc/87/54/01/858875401.db2.gz OJYVLXAZOCGBPA-HNNXBMFYSA-N 0 2 308.341 1.532 20 30 DDEDLN N#C[C@H](C(=O)[C@H]1COCCN1CC(F)F)c1cccc(F)n1 ZINC001122722868 858948599 /nfs/dbraw/zinc/94/85/99/858948599.db2.gz JVUYQLASPUQGQI-GXSJLCMTSA-N 0 2 313.279 1.363 20 30 DDEDLN O=C(C=CNC(=O)c1c[nH]c2cccnc2c1=O)C(F)(F)F ZINC001153861412 864172171 /nfs/dbraw/zinc/17/21/71/864172171.db2.gz BKRPUFHCUUASAN-HWKANZROSA-N 0 2 311.219 1.298 20 30 DDEDLN C=CCCn1cc(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)nn1 ZINC001331932076 865443011 /nfs/dbraw/zinc/44/30/11/865443011.db2.gz MJAYCLHQYFBWPZ-GHMZBOCLSA-N 0 2 318.299 1.549 20 30 DDEDLN C=CCCn1cc(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)nn1 ZINC001331932076 865443015 /nfs/dbraw/zinc/44/30/15/865443015.db2.gz MJAYCLHQYFBWPZ-GHMZBOCLSA-N 0 2 318.299 1.549 20 30 DDEDLN C=CCOC[C@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)C(=O)[O-] ZINC001331962190 865464181 /nfs/dbraw/zinc/46/41/81/865464181.db2.gz CKNRKTUIMVIJJB-AWEZNQCLSA-N 0 2 301.346 1.822 20 30 DDEDLN CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001332111447 865585460 /nfs/dbraw/zinc/58/54/60/865585460.db2.gz NALOBQZADILDAF-LZLYRXPVSA-N 0 2 314.433 1.971 20 30 DDEDLN CC#CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC001321273273 867452936 /nfs/dbraw/zinc/45/29/36/867452936.db2.gz LHHLJFDUJULBRG-UHFFFAOYSA-N 0 2 322.371 1.301 20 30 DDEDLN N#Cc1cccc(Oc2ccnc(NCc3n[nH]c(=O)[nH]3)n2)c1 ZINC001162718464 867760771 /nfs/dbraw/zinc/76/07/71/867760771.db2.gz YKPWATNNWUOPFO-UHFFFAOYSA-N 0 2 309.289 1.576 20 30 DDEDLN CCOC(=O)C1=C(O)CCN(Cc2cccc(C#N)c2)CC1 ZINC001203760819 870743658 /nfs/dbraw/zinc/74/36/58/870743658.db2.gz ORDJNOYPROJDQZ-OAHLLOKOSA-N 0 2 300.358 1.902 20 30 DDEDLN C#CC[C@@H]1CCCN(c2nnc(-c3c[nH]n(CC)c3=O)n2C)C1 ZINC001340104080 870895522 /nfs/dbraw/zinc/89/55/22/870895522.db2.gz JQPFRUFJRJPESI-GFCCVEGCSA-N 0 2 314.393 1.644 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC(CO)CC1 ZINC001340592950 871216874 /nfs/dbraw/zinc/21/68/74/871216874.db2.gz FQENKKUMNYUAAC-UHFFFAOYSA-N 0 2 323.788 1.111 20 30 DDEDLN C#CCCCC(=O)N1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC001350856457 875929038 /nfs/dbraw/zinc/92/90/38/875929038.db2.gz NYFVCNLTUHPQIF-LBPRGKRZSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)N1CCC(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001350856457 875929039 /nfs/dbraw/zinc/92/90/39/875929039.db2.gz NYFVCNLTUHPQIF-LBPRGKRZSA-N 0 2 322.302 1.798 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@](F)(C#N)C1 ZINC001356152419 878892624 /nfs/dbraw/zinc/89/26/24/878892624.db2.gz DCROGIZTNBZJEI-LBPRGKRZSA-N 0 2 322.735 1.345 20 30 DDEDLN CC[C@@H](CNC(=O)C(F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001356895249 879555054 /nfs/dbraw/zinc/55/50/54/879555054.db2.gz WKTOMKNPEGRQMR-GXSJLCMTSA-N 0 2 324.318 1.947 20 30 DDEDLN CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001356895249 879555056 /nfs/dbraw/zinc/55/50/56/879555056.db2.gz WKTOMKNPEGRQMR-GXSJLCMTSA-N 0 2 324.318 1.947 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC001362964432 885101884 /nfs/dbraw/zinc/10/18/84/885101884.db2.gz RIKMBOFTNSWUIC-UHFFFAOYSA-N 0 2 309.281 1.890 20 30 DDEDLN C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001384550051 887664647 /nfs/dbraw/zinc/66/46/47/887664647.db2.gz ZENSTFALOAWXIU-HXFLIBJXSA-N 0 2 309.263 1.057 20 30 DDEDLN C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001384550051 887664649 /nfs/dbraw/zinc/66/46/49/887664649.db2.gz ZENSTFALOAWXIU-HXFLIBJXSA-N 0 2 309.263 1.057 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CCC1=O ZINC001254917935 896657914 /nfs/dbraw/zinc/65/79/14/896657914.db2.gz YAUSAERNFNMXFH-MRVPVSSYSA-N 0 2 316.741 1.582 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2ccc(C(N)=O)c(O)c2)c1 ZINC001259125560 898482358 /nfs/dbraw/zinc/48/23/58/898482358.db2.gz ITDVABDFOVGVEN-UHFFFAOYSA-N 0 2 317.326 1.164 20 30 DDEDLN C[C@H](CN(C)C(=O)C(F)C(F)(F)F)NC(=O)C#CC1CC1 ZINC001281013558 904318203 /nfs/dbraw/zinc/31/82/03/904318203.db2.gz WXWUBFKUKNTSMJ-LDYMZIIASA-N 0 2 308.275 1.263 20 30 DDEDLN C[C@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)NC(=O)C#CC1CC1 ZINC001281013558 904318219 /nfs/dbraw/zinc/31/82/19/904318219.db2.gz WXWUBFKUKNTSMJ-LDYMZIIASA-N 0 2 308.275 1.263 20 30 DDEDLN CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001281767055 905206357 /nfs/dbraw/zinc/20/63/57/905206357.db2.gz ZOZKIEFHZNEXGE-FOGDFJRCSA-N 0 2 322.302 1.509 20 30 DDEDLN CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001281767055 905206377 /nfs/dbraw/zinc/20/63/77/905206377.db2.gz ZOZKIEFHZNEXGE-FOGDFJRCSA-N 0 2 322.302 1.509 20 30 DDEDLN CC(C)C#CC(=O)N1CC[C@@H](N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001283377667 907252274 /nfs/dbraw/zinc/25/22/74/907252274.db2.gz NCHPNZQWEXICAV-ZYHUDNBSSA-N 0 2 322.302 1.606 20 30 DDEDLN CC(C)C#CC(=O)N1CC[C@@H](N(C)C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001283377667 907252285 /nfs/dbraw/zinc/25/22/85/907252285.db2.gz NCHPNZQWEXICAV-ZYHUDNBSSA-N 0 2 322.302 1.606 20 30 DDEDLN CC#CCCCC(=O)N[C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001284256879 908737365 /nfs/dbraw/zinc/73/73/65/908737365.db2.gz QOKUDQHAQJCHEK-GXSJLCMTSA-N 0 2 310.291 1.701 20 30 DDEDLN CC#CCCCC(=O)N[C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001284256879 908737377 /nfs/dbraw/zinc/73/73/77/908737377.db2.gz QOKUDQHAQJCHEK-GXSJLCMTSA-N 0 2 310.291 1.701 20 30 DDEDLN CN(C(=O)C#CC(C)(C)C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001286010896 911563548 /nfs/dbraw/zinc/56/35/48/911563548.db2.gz HHKMXLDODZQLBE-NSHDSACASA-N 0 2 322.302 1.606 20 30 DDEDLN CN(C(=O)C#CC(C)(C)C)C1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001286010896 911563565 /nfs/dbraw/zinc/56/35/65/911563565.db2.gz HHKMXLDODZQLBE-NSHDSACASA-N 0 2 322.302 1.606 20 30 DDEDLN Cc1c(C(=O)NN2C(=O)c3ccccc3C2=O)cnn1CCC#N ZINC001296099683 916234606 /nfs/dbraw/zinc/23/46/06/916234606.db2.gz WSYJJXHWJRYLAW-UHFFFAOYSA-N 0 2 323.312 1.046 20 30 DDEDLN C=C[C@](C)(O)CC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000278729211 214359055 /nfs/dbraw/zinc/35/90/55/214359055.db2.gz UCAPADWCEDMWSM-AWEZNQCLSA-N 0 2 307.375 1.682 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1C#N ZINC000408251229 295688110 /nfs/dbraw/zinc/68/81/10/295688110.db2.gz XUPGWWSFCUHNLX-NWDGAFQWSA-N 0 2 319.386 1.774 20 30 DDEDLN CCOCc1nnc(NS(=O)(=O)c2ccc(C#N)c(C)c2)o1 ZINC000278403503 186484008 /nfs/dbraw/zinc/48/40/08/186484008.db2.gz OQKLZMPFRFPZSJ-UHFFFAOYSA-N 0 2 322.346 1.587 20 30 DDEDLN CC/N=C1\NC(=O)C(CC(=O)Nc2ccccc2OC)S1 ZINC000003592376 352111544 /nfs/dbraw/zinc/11/15/44/352111544.db2.gz ZUTLRYRWPUOHBW-LLVKDONJSA-N 0 2 307.375 1.631 20 30 DDEDLN CC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2OC)S1 ZINC000003592376 352111551 /nfs/dbraw/zinc/11/15/51/352111551.db2.gz ZUTLRYRWPUOHBW-LLVKDONJSA-N 0 2 307.375 1.631 20 30 DDEDLN CCn1nc(C)c(NS(=O)(=O)c2ccc(C#N)nc2)c1C ZINC000172903713 198165317 /nfs/dbraw/zinc/16/53/17/198165317.db2.gz YTYFQFFICJQNBI-UHFFFAOYSA-N 0 2 305.363 1.587 20 30 DDEDLN O=C(NC1=NC(=O)CN1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000050223311 352565154 /nfs/dbraw/zinc/56/51/54/352565154.db2.gz GVGLZWXDIQMQKG-UHFFFAOYSA-N 0 2 309.329 1.151 20 30 DDEDLN C=CC[C@H]1CCCN(C(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000617785169 363307341 /nfs/dbraw/zinc/30/73/41/363307341.db2.gz FJJSIQGVSCHNCS-JTQLQIEISA-N 0 2 314.345 1.864 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)c1c(C)n[nH]c1C ZINC000127025618 354060070 /nfs/dbraw/zinc/06/00/70/354060070.db2.gz QUNSXFREIMLCMU-UHFFFAOYSA-N 0 2 306.347 1.708 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)NC[C@@H](C)C#N)=N2)cc1 ZINC000180769104 354265884 /nfs/dbraw/zinc/26/58/84/354265884.db2.gz JAXRBPUDUXRFSL-JTQLQIEISA-N 0 2 300.318 1.476 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)C[C@@H](OC)C(C)C ZINC000592352902 355565134 /nfs/dbraw/zinc/56/51/34/355565134.db2.gz JEHCOQIMWIIKCM-CQSZACIVSA-N 0 2 312.391 1.980 20 30 DDEDLN CC1=NN(c2nc3ccccc3c(=O)n2C)C(=O)[C@H]1CCC#N ZINC000603923789 359704487 /nfs/dbraw/zinc/70/44/87/359704487.db2.gz PAZRXIDDNUKFEL-NSHDSACASA-N 0 2 309.329 1.576 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccc[nH]c2=O)cc1C#N ZINC000608783730 360242326 /nfs/dbraw/zinc/24/23/26/360242326.db2.gz UVXPNYKQLLMQFB-UHFFFAOYSA-N 0 2 302.315 1.734 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cnn4ccncc34)nc21 ZINC000338676657 223261030 /nfs/dbraw/zinc/26/10/30/223261030.db2.gz CBLMLXJPGNXOII-SNVBAGLBSA-N 0 2 317.312 1.799 20 30 DDEDLN CCCN(CCC)C(=O)CCC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000104843839 194046557 /nfs/dbraw/zinc/04/65/57/194046557.db2.gz APBGFDMTCSZEAL-UHFFFAOYSA-N 0 2 316.365 1.520 20 30 DDEDLN Cn1cc(S(=O)(=O)NC(=O)C=Cc2cccc(F)c2)cn1 ZINC000048646512 407103114 /nfs/dbraw/zinc/10/31/14/407103114.db2.gz QOTBGIYUYKLRBC-AATRIKPKSA-N 0 2 309.322 1.918 20 30 DDEDLN C=C[C@@H](CC(=O)NCCCc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000089505728 407137868 /nfs/dbraw/zinc/13/78/68/407137868.db2.gz QQGMZHFXSMUFPI-LBPRGKRZSA-N 0 2 300.362 1.507 20 30 DDEDLN CC1=NN(c2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2)CC1 ZINC000052557126 407152790 /nfs/dbraw/zinc/15/27/90/407152790.db2.gz UXNSPRSFCORYQP-UHFFFAOYSA-N 0 2 319.328 1.991 20 30 DDEDLN Cc1[nH]ncc1CNS(=O)(=O)c1ccc(C#N)cc1Cl ZINC000126555796 407416217 /nfs/dbraw/zinc/41/62/17/407416217.db2.gz NTAGBRUQDDKHAL-UHFFFAOYSA-N 0 2 310.766 1.722 20 30 DDEDLN COC[C@](C)(C#N)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000272648187 408003573 /nfs/dbraw/zinc/00/35/73/408003573.db2.gz MLRMBJWVLXTBAS-HNNXBMFYSA-N 0 2 318.308 1.375 20 30 DDEDLN Cn1cc(CNC(=O)[C@@H](F)C(F)(F)F)c(C(F)(F)F)n1 ZINC000291366122 408865223 /nfs/dbraw/zinc/86/52/23/408865223.db2.gz UJTPNTUIKGFVFM-RXMQYKEDSA-N 0 2 307.169 1.956 20 30 DDEDLN Cn1cc(CNC(=O)C(F)C(F)(F)F)c(C(F)(F)F)n1 ZINC000291366122 408865227 /nfs/dbraw/zinc/86/52/27/408865227.db2.gz UJTPNTUIKGFVFM-RXMQYKEDSA-N 0 2 307.169 1.956 20 30 DDEDLN C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1S(N)(=O)=O ZINC000353882034 409534598 /nfs/dbraw/zinc/53/45/98/409534598.db2.gz OUBBXRXAJBHWFG-UHFFFAOYSA-N 0 2 315.398 1.838 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cnc(-c3ccccn3)s2)c1C#N ZINC000357251152 409952982 /nfs/dbraw/zinc/95/29/82/409952982.db2.gz ZNGLQOBNXHIDCU-UHFFFAOYSA-N 0 2 310.342 2.361 20 30 DDEDLN CCOc1ccc([N+](=O)[O-])c(C(=O)N=c2[nH][nH]c(C)c2C#N)c1 ZINC000357246999 409953920 /nfs/dbraw/zinc/95/39/20/409953920.db2.gz AOEBTSAGSKKADI-UHFFFAOYSA-N 0 2 315.289 2.149 20 30 DDEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)CCC(=O)OC ZINC000299167759 410553924 /nfs/dbraw/zinc/55/39/24/410553924.db2.gz VGYOIFFFCCXCQR-UHFFFAOYSA-N 0 2 312.347 1.262 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)CC(C)C)cc1C#N ZINC000359651421 410795235 /nfs/dbraw/zinc/79/52/35/410795235.db2.gz ZIMIWYKFOSMVRW-SNVBAGLBSA-N 0 2 309.391 1.518 20 30 DDEDLN Cc1cc(C(=O)N(C)[C@H](C)CC#N)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000353776294 411127977 /nfs/dbraw/zinc/12/79/77/411127977.db2.gz HYZUSPOGJOTCQM-MRVPVSSYSA-N 0 2 301.306 1.119 20 30 DDEDLN C=CCNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117211 418562063 /nfs/dbraw/zinc/56/20/63/418562063.db2.gz MJNUNDUBGUWLDK-OAHLLOKOSA-N 0 2 316.449 1.669 20 30 DDEDLN Cn1cc(NS(=O)(=O)c2ccc(C#N)nc2)c(C2CC2)n1 ZINC000291093124 222132303 /nfs/dbraw/zinc/13/23/03/222132303.db2.gz KXXFJSCEOVBQAE-UHFFFAOYSA-N 0 2 303.347 1.365 20 30 DDEDLN CCn1cc(-c2n[nH]cc2C(=O)C(C#N)c2ccncn2)cn1 ZINC000426911751 419566832 /nfs/dbraw/zinc/56/68/32/419566832.db2.gz NAPCSSFSQGVTHC-LLVKDONJSA-N 0 2 307.317 1.573 20 30 DDEDLN CCn1cc(-c2n[nH]cc2C(=O)[C@H](C#N)c2ccncn2)cn1 ZINC000426911751 419566845 /nfs/dbraw/zinc/56/68/45/419566845.db2.gz NAPCSSFSQGVTHC-LLVKDONJSA-N 0 2 307.317 1.573 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cccc(N(C)C)n2)cc1C#N ZINC000427771670 419731618 /nfs/dbraw/zinc/73/16/18/419731618.db2.gz RHWFHMNFCZVZIL-UHFFFAOYSA-N 0 2 317.374 1.524 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2ccc(N(C)C)cn2)cc1C#N ZINC000427803520 419738766 /nfs/dbraw/zinc/73/87/66/419738766.db2.gz WSHIDACYSJZVSX-UHFFFAOYSA-N 0 2 317.374 1.524 20 30 DDEDLN C=CCc1cc(C[NH2+]C[C@@H]2C[NH2+]CCN2C)cc(OC)c1O ZINC000414971600 419899422 /nfs/dbraw/zinc/89/94/22/419899422.db2.gz WQDVGSBIPKRQRZ-HNNXBMFYSA-N 0 2 305.422 1.123 20 30 DDEDLN N#CC(C(=O)N1CCCC1)=C([O-])c1[nH+]cc2c(F)cccn21 ZINC000528914642 421524592 /nfs/dbraw/zinc/52/45/92/421524592.db2.gz LRNSQECLVJPYKA-JTQLQIEISA-N 0 2 300.293 1.418 20 30 DDEDLN Cc1nc([C@H]2CCC[N@H+](Cc3cnc4c(C#N)cnn4c3)C2)n[nH]1 ZINC000582003923 422085780 /nfs/dbraw/zinc/08/57/80/422085780.db2.gz QCVQWMSZQUPAPO-ZDUSSCGKSA-N 0 2 322.376 1.407 20 30 DDEDLN Cc1nc([C@H]2CCC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)n[nH]1 ZINC000582003923 422085785 /nfs/dbraw/zinc/08/57/85/422085785.db2.gz QCVQWMSZQUPAPO-ZDUSSCGKSA-N 0 2 322.376 1.407 20 30 DDEDLN C=C(C)C[C@@H](NC(C)=O)C(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000628540537 422214117 /nfs/dbraw/zinc/21/41/17/422214117.db2.gz GHCCCZKDJRTHHZ-SNVBAGLBSA-N 0 2 308.407 1.421 20 30 DDEDLN CCN(C[C@H](C)OC)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000361068961 266134339 /nfs/dbraw/zinc/13/43/39/266134339.db2.gz WZBUQOREJLDTLO-VIFPVBQESA-N 0 2 309.391 1.878 20 30 DDEDLN N#Cc1ccc(N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1[N+](=O)[O-] ZINC000357541974 268115650 /nfs/dbraw/zinc/11/56/50/268115650.db2.gz ZBUUPKAHYMGXIR-JTQLQIEISA-N 0 2 314.305 1.674 20 30 DDEDLN N#Cc1nc(NC(=O)COc2ccsc2Cl)[nH]c1C#N ZINC000351252369 268324223 /nfs/dbraw/zinc/32/42/23/268324223.db2.gz MTWRVXPGJXSTBP-UHFFFAOYSA-N 0 2 307.722 1.885 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2C(C)(C)O)cc1C#N ZINC000345444611 272252111 /nfs/dbraw/zinc/25/21/11/272252111.db2.gz JAJLPHRRHLQYAD-LLVKDONJSA-N 0 2 321.402 1.756 20 30 DDEDLN COc1ccccc1SCC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000135559712 281597114 /nfs/dbraw/zinc/59/71/14/281597114.db2.gz NNQZWCXKLSWNLV-UHFFFAOYSA-N 0 2 313.342 1.892 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)s1 ZINC000576229907 308299115 /nfs/dbraw/zinc/29/91/15/308299115.db2.gz HDDZECVOARZENW-QMMMGPOBSA-N 0 2 303.347 1.463 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2cnn(C(C)C)c2)n(CCC#N)n1 ZINC000525740188 333209887 /nfs/dbraw/zinc/20/98/87/333209887.db2.gz HPKYMCATFVOHNM-UHFFFAOYSA-N 0 2 322.394 1.683 20 30 DDEDLN COC(=O)c1cncc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)c1 ZINC000546863392 341184000 /nfs/dbraw/zinc/18/40/00/341184000.db2.gz DJRLXNVWLQZNAF-CYBMUJFWSA-N 0 2 310.313 1.765 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N(CCC#N)CC2CC2)c1 ZINC000424637068 533807184 /nfs/dbraw/zinc/80/71/84/533807184.db2.gz BULXSWSFMFANPV-QFIPXVFZSA-N 0 2 320.414 1.955 20 30 DDEDLN C#CCNC(=O)c1ccccc1NS(=O)(=O)N1CC[C@@H](C)C1 ZINC000490915979 527043338 /nfs/dbraw/zinc/04/33/38/527043338.db2.gz QYXIJDZTZVFBOW-GFCCVEGCSA-N 0 2 321.402 1.048 20 30 DDEDLN CCN(C)C(=O)[C@@H](C)NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000331041056 527736165 /nfs/dbraw/zinc/73/61/65/527736165.db2.gz QIVCJIUAEWAMQX-MRVPVSSYSA-N 0 2 313.427 1.450 20 30 DDEDLN C[C@]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)(C(=O)[O-])C1CC1 ZINC000827740784 601040160 /nfs/dbraw/zinc/04/01/60/601040160.db2.gz BYXVCWPIGIATBV-MRXNPFEDSA-N 0 2 312.329 1.951 20 30 DDEDLN CN(C[C@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1)C(=O)[O-] ZINC000739660456 602533250 /nfs/dbraw/zinc/53/32/50/602533250.db2.gz IEGVIWYBRRYXSC-SNVBAGLBSA-N 0 2 322.390 1.490 20 30 DDEDLN CN(C[C@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1)C(=O)[O-] ZINC000739660456 602533253 /nfs/dbraw/zinc/53/32/53/602533253.db2.gz IEGVIWYBRRYXSC-SNVBAGLBSA-N 0 2 322.390 1.490 20 30 DDEDLN C=CCOc1ccc(C[N@@H+]2CCO[C@H](C(=O)[O-])C2)cc1OC ZINC000819720447 604629648 /nfs/dbraw/zinc/62/96/48/604629648.db2.gz ZEUMKJRQQGPSKL-HNNXBMFYSA-N 0 2 307.346 1.545 20 30 DDEDLN C=CCOc1ccc(C[N@H+]2CCO[C@H](C(=O)[O-])C2)cc1OC ZINC000819720447 604629651 /nfs/dbraw/zinc/62/96/51/604629651.db2.gz ZEUMKJRQQGPSKL-HNNXBMFYSA-N 0 2 307.346 1.545 20 30 DDEDLN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738614913 605927856 /nfs/dbraw/zinc/92/78/56/605927856.db2.gz CTKPYVKSUONPQJ-RYUDHWBXSA-N 0 2 308.382 1.059 20 30 DDEDLN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738614913 605927858 /nfs/dbraw/zinc/92/78/58/605927858.db2.gz CTKPYVKSUONPQJ-RYUDHWBXSA-N 0 2 308.382 1.059 20 30 DDEDLN CCc1nc(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cs1 ZINC000122765161 696724933 /nfs/dbraw/zinc/72/49/33/696724933.db2.gz FHSFMTYDGIZSEM-JTQLQIEISA-N 0 2 302.359 1.573 20 30 DDEDLN COc1cc(C)nc(N=NCc2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000747632115 700078553 /nfs/dbraw/zinc/07/85/53/700078553.db2.gz HVKGMVUUXZAJNN-UHFFFAOYSA-N 0 2 303.278 1.853 20 30 DDEDLN CS(=O)(=O)[N-]C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000091810627 696591272 /nfs/dbraw/zinc/59/12/72/696591272.db2.gz VRWQQEBVXFFEMV-GFCCVEGCSA-N 0 2 300.355 1.706 20 30 DDEDLN CS(=O)(=O)[N-]C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000091810627 696591274 /nfs/dbraw/zinc/59/12/74/696591274.db2.gz VRWQQEBVXFFEMV-GFCCVEGCSA-N 0 2 300.355 1.706 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000799527925 700148661 /nfs/dbraw/zinc/14/86/61/700148661.db2.gz QMXUJPJWODITKU-UHFFFAOYSA-N 0 2 307.291 1.116 20 30 DDEDLN C[C@@H](OC(=O)c1cc(F)c(O)c(F)c1)C(=O)NC1(C#N)CCC1 ZINC000787722771 699234903 /nfs/dbraw/zinc/23/49/03/699234903.db2.gz AJMIJVMKGXYAOH-MRVPVSSYSA-N 0 2 324.283 1.778 20 30 DDEDLN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000790408699 699457737 /nfs/dbraw/zinc/45/77/37/699457737.db2.gz HHSWSJDLWOXEEQ-UHFFFAOYSA-N 0 2 319.342 1.858 20 30 DDEDLN CC[C@H](C)/N=C1/NC(=O)C(CC(=O)Nc2cnccn2)S1 ZINC000730816413 699516524 /nfs/dbraw/zinc/51/65/24/699516524.db2.gz ULLOJTMONDNFBR-IUCAKERBSA-N 0 2 307.379 1.191 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)C[C@@H]2CCOC2)n1 ZINC000740539798 699794993 /nfs/dbraw/zinc/79/49/93/699794993.db2.gz UQCUXTNHUYDPIG-VHSXEESVSA-N 0 2 308.359 1.923 20 30 DDEDLN C#CCOCCNC(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000753225167 700415789 /nfs/dbraw/zinc/41/57/89/700415789.db2.gz DEXDNOLNBBVESA-UHFFFAOYSA-N 0 2 317.320 1.405 20 30 DDEDLN Cc1cc(C)nc(NN=C2c3ccc(N(C)C)cc3N(C)C2=O)n1 ZINC000761724503 700868139 /nfs/dbraw/zinc/86/81/39/700868139.db2.gz WYXWBPZAOWDTTD-UHFFFAOYSA-N 0 2 324.388 1.952 20 30 DDEDLN O=c1cn[nH]c(=S)n1N=Cc1cc(Cl)cc(F)c1O ZINC000766478706 701053387 /nfs/dbraw/zinc/05/33/87/701053387.db2.gz TWLUVYRZMKYGAZ-UHFFFAOYSA-N 0 2 300.702 1.307 20 30 DDEDLN Cc1noc(C)c1CCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770865192 701298317 /nfs/dbraw/zinc/29/83/17/701298317.db2.gz AWOFSAAILVEKKM-GFCCVEGCSA-N 0 2 300.318 1.549 20 30 DDEDLN C[C@H]1CC(=[NH+]C([O-])=C2CCCN(c3ccccc3)C2=O)NO1 ZINC000815885563 701958108 /nfs/dbraw/zinc/95/81/08/701958108.db2.gz RVAOHYSANJCWSA-WCQYABFASA-N 0 2 301.346 1.668 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CN3CCCCC3=O)nc21 ZINC000815962598 701977697 /nfs/dbraw/zinc/97/76/97/701977697.db2.gz VLKUCCZPELOADI-NSHDSACASA-N 0 2 311.345 1.455 20 30 DDEDLN C#CCCCS(=O)(=O)Nc1scc(C)c1C(=O)OC ZINC000840950688 702290659 /nfs/dbraw/zinc/29/06/59/702290659.db2.gz QTAREDXLYZSDOB-UHFFFAOYSA-N 0 2 301.389 1.998 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1)C(=O)[O-] ZINC000909712986 709592807 /nfs/dbraw/zinc/59/28/07/709592807.db2.gz CMQMZEJRYAPVPV-IHRRRGAJSA-N 0 2 312.410 1.411 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1)C(=O)[O-] ZINC000909712986 709592809 /nfs/dbraw/zinc/59/28/09/709592809.db2.gz CMQMZEJRYAPVPV-IHRRRGAJSA-N 0 2 312.410 1.411 20 30 DDEDLN C=C(Cl)C[C@H]([NH3+])C(=O)[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000901063731 709908686 /nfs/dbraw/zinc/90/86/86/709908686.db2.gz SXJLGDPDAOVDJY-VPOLOUISSA-N 0 2 306.815 1.091 20 30 DDEDLN C[NH+]1CCN(c2ncccc2C[NH2+]CC#Cc2ccccc2)CC1 ZINC000892750773 710492392 /nfs/dbraw/zinc/49/23/92/710492392.db2.gz JXYDRCNDWHARGM-UHFFFAOYSA-N 0 2 320.440 1.975 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCN(C)c2ccccc21 ZINC000892863613 710515171 /nfs/dbraw/zinc/51/51/71/710515171.db2.gz NYEJCEOFNPAVCC-KGLIPLIRSA-N 0 2 322.368 1.935 20 30 DDEDLN C#CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3[nH]nc(C)c3[O-])C2)C1 ZINC000961135097 716827210 /nfs/dbraw/zinc/82/72/10/716827210.db2.gz VDPRLZCWYYMHSX-KGLIPLIRSA-N 0 2 316.405 1.231 20 30 DDEDLN C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3[nH]nc(C)c3[O-])C2)C1 ZINC000961135097 716827218 /nfs/dbraw/zinc/82/72/18/716827218.db2.gz VDPRLZCWYYMHSX-KGLIPLIRSA-N 0 2 316.405 1.231 20 30 DDEDLN C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644159 733397578 /nfs/dbraw/zinc/39/75/78/733397578.db2.gz DWLUDCQGAIMTAE-JKSUJKDBSA-N 0 2 300.406 1.219 20 30 DDEDLN N#Cc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2nnc[nH]2)c1 ZINC001024715488 736036998 /nfs/dbraw/zinc/03/69/98/736036998.db2.gz GKKTZTVIHQGPOX-HNNXBMFYSA-N 0 2 324.388 1.461 20 30 DDEDLN N#Cc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2nnc[nH]2)c1 ZINC001024715488 736037003 /nfs/dbraw/zinc/03/70/03/736037003.db2.gz GKKTZTVIHQGPOX-HNNXBMFYSA-N 0 2 324.388 1.461 20 30 DDEDLN N#CCS(=O)(=O)Nc1cncc(OCc2ccccc2)c1 ZINC001192943520 745930221 /nfs/dbraw/zinc/93/02/21/745930221.db2.gz QJTUQVVWPMVCTG-UHFFFAOYSA-N 0 2 303.343 1.926 20 30 DDEDLN CCOC(=O)C(C)(C)S(=O)(=O)Nc1csc(C#N)c1 ZINC001193029293 745964973 /nfs/dbraw/zinc/96/49/73/745964973.db2.gz OEJYVOLIUNKOML-UHFFFAOYSA-N 0 2 302.377 1.703 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2[nH]c(=O)[nH]c(=O)c2N=O)c(O)c1 ZINC001195740467 746696943 /nfs/dbraw/zinc/69/69/43/746696943.db2.gz GIWUZSNQICBIFF-UHFFFAOYSA-N 0 2 301.218 1.115 20 30 DDEDLN CCOC(=O)CS(=O)(=O)Nc1ccc(C(C)(C)C#N)nc1 ZINC001195939414 746731895 /nfs/dbraw/zinc/73/18/95/746731895.db2.gz WXDUKDNKJQRRME-UHFFFAOYSA-N 0 2 311.363 1.188 20 30 DDEDLN COC(=O)c1cncc(S(=O)(=O)Nc2ccc(C#N)s2)c1 ZINC001201843540 748618065 /nfs/dbraw/zinc/61/80/65/748618065.db2.gz SYDKPLARNKYZOW-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN N#Cc1ccc(NC/C=C/CNC(=O)C(F)C(F)(F)F)nn1 ZINC001107562396 750140453 /nfs/dbraw/zinc/14/04/53/750140453.db2.gz WYTQTGMRQWHUMG-YOLVWIGZSA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1ccc(NC/C=C/CNC(=O)[C@H](F)C(F)(F)F)nn1 ZINC001107562396 750140456 /nfs/dbraw/zinc/14/04/56/750140456.db2.gz WYTQTGMRQWHUMG-YOLVWIGZSA-N 0 2 317.246 1.333 20 30 DDEDLN Cc1cc(N[C@@H](C)CNC(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001098327149 762033884 /nfs/dbraw/zinc/03/38/84/762033884.db2.gz BWLOKDBALYJDHY-KWQFWETISA-N 0 2 318.274 1.501 20 30 DDEDLN Cc1cc(N[C@@H](C)CNC(=O)[C@H](F)C(F)(F)F)c(C#N)cn1 ZINC001098327149 762033894 /nfs/dbraw/zinc/03/38/94/762033894.db2.gz BWLOKDBALYJDHY-KWQFWETISA-N 0 2 318.274 1.501 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=C)Cl ZINC001085229646 759176979 /nfs/dbraw/zinc/17/69/79/759176979.db2.gz CMORKNCDIWRHBF-OAGGEKHMSA-N 0 2 323.868 1.854 20 30 DDEDLN N#Cc1cnccc1N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001056804044 761444112 /nfs/dbraw/zinc/44/41/12/761444112.db2.gz MKHNYBZJNZPCPL-KOLCDFICSA-N 0 2 316.258 1.288 20 30 DDEDLN N#Cc1cnccc1N[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001056804044 761444115 /nfs/dbraw/zinc/44/41/15/761444115.db2.gz MKHNYBZJNZPCPL-KOLCDFICSA-N 0 2 316.258 1.288 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001108739597 762897066 /nfs/dbraw/zinc/89/70/66/762897066.db2.gz JMHNZAQNKMTQFN-XVKPBYJWSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)cn1)NC(=O)[C@H](F)C(F)(F)F ZINC001108739597 762897071 /nfs/dbraw/zinc/89/70/71/762897071.db2.gz JMHNZAQNKMTQFN-XVKPBYJWSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNc1cncc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001108739991 762897880 /nfs/dbraw/zinc/89/78/80/762897880.db2.gz XNQXCKXHFQQBAU-RCOVLWMOSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNc1cncc(C#N)n1)NC(=O)[C@H](F)C(F)(F)F ZINC001108739991 762897887 /nfs/dbraw/zinc/89/78/87/762897887.db2.gz XNQXCKXHFQQBAU-RCOVLWMOSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ncc(C#N)cc1F ZINC001098327301 762944484 /nfs/dbraw/zinc/94/44/84/762944484.db2.gz GIGTXBUNGDYKHR-MUWHJKNJSA-N 0 2 322.237 1.909 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ncc(C#N)cc1F ZINC001098327301 762944489 /nfs/dbraw/zinc/94/44/89/762944489.db2.gz GIGTXBUNGDYKHR-MUWHJKNJSA-N 0 2 322.237 1.909 20 30 DDEDLN N#Cc1cccnc1N[C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001097106130 771626023 /nfs/dbraw/zinc/62/60/23/771626023.db2.gz ISAYSRZAFPKSNW-OPRDCNLKSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1cccnc1N[C@H]1C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001097106130 771626025 /nfs/dbraw/zinc/62/60/25/771626025.db2.gz ISAYSRZAFPKSNW-OPRDCNLKSA-N 0 2 316.258 1.913 20 30 DDEDLN Cc1cc(C#N)nc(NCCN(C)C(=O)C(F)C(F)(F)F)n1 ZINC001102003469 777786904 /nfs/dbraw/zinc/78/69/04/777786904.db2.gz ZLAOPIRCZWNZOZ-SECBINFHSA-N 0 2 319.262 1.427 20 30 DDEDLN Cc1cc(C#N)nc(NCCN(C)C(=O)[C@@H](F)C(F)(F)F)n1 ZINC001102003469 777786906 /nfs/dbraw/zinc/78/69/06/777786906.db2.gz ZLAOPIRCZWNZOZ-SECBINFHSA-N 0 2 319.262 1.427 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCCCC[C@H]1CNC(=O)c1[nH]ncc1F ZINC001005516098 848038018 /nfs/dbraw/zinc/03/80/18/848038018.db2.gz APGROCUVXBXCJY-QWRGUYRKSA-N 0 2 321.356 1.209 20 30 DDEDLN N#C[C@@H](C(=O)[C@H]1COCCN1CC(F)F)c1cccc(F)n1 ZINC001122722872 858948909 /nfs/dbraw/zinc/94/89/09/858948909.db2.gz JVUYQLASPUQGQI-MWLCHTKSSA-N 0 2 313.279 1.363 20 30 DDEDLN Cn1c(CC#N)nnc1SCc1nc(=O)c2sccc2[nH]1 ZINC001322446447 868173513 /nfs/dbraw/zinc/17/35/13/868173513.db2.gz RDQVHEVJBYELGU-UHFFFAOYSA-N 0 2 318.387 1.884 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N(C)[C@H](C)CC#N ZINC001339486000 870520998 /nfs/dbraw/zinc/52/09/98/870520998.db2.gz ZTZFWJZEKAGZSI-LLVKDONJSA-N 0 2 315.381 1.791 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC001340592589 871218478 /nfs/dbraw/zinc/21/84/78/871218478.db2.gz ADQFYMDSNALIPS-DTORHVGOSA-N 0 2 321.772 1.270 20 30 DDEDLN Cn1ccnc1[C@@H](C#N)C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001342926332 872437653 /nfs/dbraw/zinc/43/76/53/872437653.db2.gz YDHPOQDDDCCIHU-BLLLJJGKSA-N 0 2 300.362 1.293 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001344059630 872846979 /nfs/dbraw/zinc/84/69/79/872846979.db2.gz VEXAOZODZDQVEZ-DBIOUOCHSA-N 0 2 307.300 1.993 20 30 DDEDLN C[C@H](C#C[Si](C)(C)C)Oc1[nH]c(=O)nnc1Br ZINC001227066363 882807884 /nfs/dbraw/zinc/80/78/84/882807884.db2.gz JGWPFGWMCZQBOD-SSDOTTSWSA-N 0 2 316.231 1.988 20 30 DDEDLN COc1ccc(OC)c(/C(=N/O)O[C@@H]2C(=O)OCC2(C)C)c1 ZINC001223892109 881135175 /nfs/dbraw/zinc/13/51/75/881135175.db2.gz BWWBNLYPGKRFQZ-CZWGUHTPSA-N 0 2 309.318 1.808 20 30 DDEDLN CN(c1[nH]c(=O)n(C)c(=O)c1C#N)C1CCC(C(C)(C)C)CC1 ZINC001363134314 885549902 /nfs/dbraw/zinc/54/99/02/885549902.db2.gz DZISKZFMNXTHDY-UHFFFAOYSA-N 0 2 318.421 1.986 20 30 DDEDLN COc1nnc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)s1 ZINC001363414505 886274624 /nfs/dbraw/zinc/27/46/24/886274624.db2.gz QXHUUORGVYBIOV-UHFFFAOYSA-N 0 2 323.359 1.493 20 30 DDEDLN O=C(CC(F)(F)F)N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001385312495 888858299 /nfs/dbraw/zinc/85/82/99/888858299.db2.gz HTQUJZMZFHVRMT-VDTYLAMSSA-N 0 2 324.196 1.556 20 30 DDEDLN O=C(CC(F)(F)F)N[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001385312495 888858308 /nfs/dbraw/zinc/85/83/08/888858308.db2.gz HTQUJZMZFHVRMT-VDTYLAMSSA-N 0 2 324.196 1.556 20 30 DDEDLN N#Cc1ccn2ncc(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)c2c1 ZINC001249086999 893813637 /nfs/dbraw/zinc/81/36/37/893813637.db2.gz UQXATWBKIMMBIK-OAHLLOKOSA-N 0 2 310.382 1.980 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CCC1=O ZINC001256037063 897232423 /nfs/dbraw/zinc/23/24/23/897232423.db2.gz UOXAKQKKPDYISW-QMMMGPOBSA-N 0 2 300.286 1.068 20 30 DDEDLN CC(C)[C@@H]1C[C@H](C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CCO1 ZINC001263414110 900605449 /nfs/dbraw/zinc/60/54/49/900605449.db2.gz QSDJLFRLVHYWGA-AGIUHOORSA-N 0 2 303.362 1.763 20 30 DDEDLN C#C[C@@H](C)N(C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC1CC1 ZINC001263672588 900666199 /nfs/dbraw/zinc/66/61/99/900666199.db2.gz UZZBWTADPGPNIG-LLVKDONJSA-N 0 2 314.393 1.735 20 30 DDEDLN C=CC(C)(C)CC(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001284913037 909720446 /nfs/dbraw/zinc/72/04/46/909720446.db2.gz FGJWCHXZAAQEBA-SNVBAGLBSA-N 0 2 310.291 1.816 20 30 DDEDLN C=CC(C)(C)CC(=O)N1CC(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001284913037 909720449 /nfs/dbraw/zinc/72/04/49/909720449.db2.gz FGJWCHXZAAQEBA-SNVBAGLBSA-N 0 2 310.291 1.816 20 30 DDEDLN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NC2=NC(=O)CN2)c1 ZINC000050222959 352565047 /nfs/dbraw/zinc/56/50/47/352565047.db2.gz SKEUACQSAPOKRR-GZMMTYOYSA-N 0 2 300.318 1.072 20 30 DDEDLN N#Cc1nc(NC(=O)COc2cccc(Cl)c2)[nH]c1C#N ZINC000076906180 353442704 /nfs/dbraw/zinc/44/27/04/353442704.db2.gz WOIDPWVKGCAWBQ-UHFFFAOYSA-N 0 2 301.693 1.824 20 30 DDEDLN Cc1cccc2c1[nH]cc(C(=O)N1CC[C@@](O)(CC#N)C1)c2=O ZINC000592950216 355749012 /nfs/dbraw/zinc/74/90/12/355749012.db2.gz QXRPVABUYWJMAB-KRWDZBQOSA-N 0 2 311.341 1.327 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@H]3COC[C@@]3(C)C2)cc1C#N ZINC000598232288 357502361 /nfs/dbraw/zinc/50/23/61/357502361.db2.gz OZGDMIINIXZKND-ZUZCIYMTSA-N 0 2 319.386 1.489 20 30 DDEDLN C[C@@H]1CN(Cc2nc(=O)c3sccc3[nH]2)C[C@@H](C)N1CC#N ZINC000602866205 359249913 /nfs/dbraw/zinc/24/99/13/359249913.db2.gz VGYMVJYQWLVIAD-GHMZBOCLSA-N 0 2 317.418 1.815 20 30 DDEDLN C=CCCOCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000609135823 360264100 /nfs/dbraw/zinc/26/41/00/360264100.db2.gz WQQBCJDNIABMFE-UHFFFAOYSA-N 0 2 317.305 1.911 20 30 DDEDLN N#C[C@@]1(NC(=O)c2cc(F)c(F)c(O)c2F)CCSC1 ZINC000612534483 361055475 /nfs/dbraw/zinc/05/54/75/361055475.db2.gz LTHCGSIQKZPIKG-LBPRGKRZSA-N 0 2 302.277 1.939 20 30 DDEDLN O=C(CC1S/C(=N\C2CC2)NC1=O)Nc1ccc(F)cc1 ZINC000007126271 406750200 /nfs/dbraw/zinc/75/02/00/406750200.db2.gz GKBJSPFIKPLPHF-LLVKDONJSA-N 0 2 307.350 1.904 20 30 DDEDLN O=C(C[C@H]1S/C(=N\C2CC2)NC1=O)Nc1ccc(F)cc1 ZINC000007126271 406750208 /nfs/dbraw/zinc/75/02/08/406750208.db2.gz GKBJSPFIKPLPHF-LLVKDONJSA-N 0 2 307.350 1.904 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000074070694 406901663 /nfs/dbraw/zinc/90/16/63/406901663.db2.gz DVJYQTORUPBIPH-DTORHVGOSA-N 0 2 307.375 1.630 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccnc(OCC(F)F)c2)[nH]c1C#N ZINC000089485623 407136735 /nfs/dbraw/zinc/13/67/35/407136735.db2.gz UYEDXULBHOIJOB-UHFFFAOYSA-N 0 2 318.243 1.444 20 30 DDEDLN N#Cc1nc(NC(=O)c2cnn(-c3ccccc3F)c2)[nH]c1C#N ZINC000059005627 407224997 /nfs/dbraw/zinc/22/49/97/407224997.db2.gz LHAYWWSQCBKJDN-UHFFFAOYSA-N 0 2 321.275 1.730 20 30 DDEDLN CCC/N=C1/NC(=O)C(CC(=O)Nc2ccc(C#N)cc2)S1 ZINC000102936346 407328994 /nfs/dbraw/zinc/32/89/94/407328994.db2.gz GCZVZWGOPIJGRI-GFCCVEGCSA-N 0 2 316.386 1.884 20 30 DDEDLN CCC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(C#N)cc2)S1 ZINC000102936346 407328996 /nfs/dbraw/zinc/32/89/96/407328996.db2.gz GCZVZWGOPIJGRI-GFCCVEGCSA-N 0 2 316.386 1.884 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2cnc(C)s2)cc1C#N ZINC000107347521 407373055 /nfs/dbraw/zinc/37/30/55/407373055.db2.gz ZYBWXIWJRZGSRT-UHFFFAOYSA-N 0 2 320.399 1.663 20 30 DDEDLN N#Cc1cccnc1N1CCN(c2cccc(C(=O)[O-])[nH+]2)CC1 ZINC000263489856 408154345 /nfs/dbraw/zinc/15/43/45/408154345.db2.gz IFJDGBSRBOPFCP-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN Cn1cc(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000130338299 161989006 /nfs/dbraw/zinc/98/90/06/161989006.db2.gz NEJFIPSCOFTOBT-UHFFFAOYSA-N 0 2 307.291 1.001 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H](C)C[C@@H](C)O)cc1C#N ZINC000349756994 409909193 /nfs/dbraw/zinc/90/91/93/409909193.db2.gz IYYVKFYTVUNYTA-RKDXNWHRSA-N 0 2 309.391 1.518 20 30 DDEDLN N#C[C@@H](C(=O)c1ccnc(N2CCCCC2)n1)c1ccncn1 ZINC000354472468 409879605 /nfs/dbraw/zinc/87/96/05/409879605.db2.gz UMFACVAONJMSEN-GFCCVEGCSA-N 0 2 308.345 1.747 20 30 DDEDLN COc1ncc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1Cl ZINC000351251466 410050898 /nfs/dbraw/zinc/05/08/98/410050898.db2.gz LWUMYVLUKQJNBH-UHFFFAOYSA-N 0 2 302.681 1.462 20 30 DDEDLN COCCN(C(=O)c1cc(C#N)c(SC)[nH]c1=O)C1CC1 ZINC000357857160 410301326 /nfs/dbraw/zinc/30/13/26/410301326.db2.gz VHXZRAVQXZIRDF-UHFFFAOYSA-N 0 2 307.375 1.632 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cnn(-c2cccnc2)c1 ZINC000359718878 410835122 /nfs/dbraw/zinc/83/51/22/410835122.db2.gz RMQDTWAKRHMIJK-UHFFFAOYSA-N 0 2 319.328 1.992 20 30 DDEDLN C=C[C@@H](C)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000353305564 410912238 /nfs/dbraw/zinc/91/22/38/410912238.db2.gz NHZVEYBXHXFZCE-LLVKDONJSA-N 0 2 301.350 1.757 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](C)[C@H]2CO)cc1C#N ZINC000331262419 411048100 /nfs/dbraw/zinc/04/81/00/411048100.db2.gz DIHXNFNBXIRTRK-LDYMZIIASA-N 0 2 307.375 1.224 20 30 DDEDLN CCN(CCC#N)C(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000272550321 222461823 /nfs/dbraw/zinc/46/18/23/222461823.db2.gz YWUYCYSRRYOFPK-UHFFFAOYSA-N 0 2 314.345 1.962 20 30 DDEDLN N#Cc1nc(NC(=O)C(=O)c2ccc(Cl)s2)[nH]c1C#N ZINC000430439672 420121757 /nfs/dbraw/zinc/12/17/57/420121757.db2.gz KJGHZVZKQZOXEH-UHFFFAOYSA-N 0 2 305.706 1.689 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1C#N ZINC000424976561 420324136 /nfs/dbraw/zinc/32/41/36/420324136.db2.gz KPAASWGLULJEJZ-WCBMZHEXSA-N 0 2 302.359 1.803 20 30 DDEDLN CO[C@@H](C)c1nc(C)c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)s1 ZINC000488938598 421126982 /nfs/dbraw/zinc/12/69/82/421126982.db2.gz HIBGSQUXKAUIQT-ZETCQYMHSA-N 0 2 316.346 1.878 20 30 DDEDLN C=CCOCCNS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632194348 422152690 /nfs/dbraw/zinc/15/26/90/422152690.db2.gz MREMBOMDLZOHRO-UHFFFAOYSA-N 0 2 306.771 1.686 20 30 DDEDLN C=CC[C@H]1CCN(C(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000628485021 422194109 /nfs/dbraw/zinc/19/41/09/422194109.db2.gz ALKDHWMVEHFNAA-VIFPVBQESA-N 0 2 300.318 1.474 20 30 DDEDLN Cc1cc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)c(C)c(C)c1C ZINC000577729227 422417720 /nfs/dbraw/zinc/41/77/20/422417720.db2.gz HINOUGQQOCGMTQ-UHFFFAOYSA-N 0 2 311.341 1.525 20 30 DDEDLN Cc1cc2c(cc1S(=O)(=O)Nc1ncc(C#N)s1)OCO2 ZINC000619507195 422530486 /nfs/dbraw/zinc/53/04/86/422530486.db2.gz ODHQMVKPACOBBQ-UHFFFAOYSA-N 0 2 323.355 1.853 20 30 DDEDLN CC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000102467552 278077872 /nfs/dbraw/zinc/07/78/72/278077872.db2.gz YJKAZVJOWPOJEB-AWEZNQCLSA-N 0 2 320.312 1.069 20 30 DDEDLN CC[C@@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)[C@H]1CCCO1 ZINC000152536318 281747779 /nfs/dbraw/zinc/74/77/79/281747779.db2.gz DJMIACJUCMMXTL-VXGBXAGGSA-N 0 2 321.402 1.656 20 30 DDEDLN COCC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000565170465 308022911 /nfs/dbraw/zinc/02/29/11/308022911.db2.gz LARMQYOPDLAXQV-WMLDXEAASA-N 0 2 305.422 1.490 20 30 DDEDLN N#Cc1c(F)cccc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000583324542 337316160 /nfs/dbraw/zinc/31/61/60/337316160.db2.gz ZJDYPOSBLNRXLL-VIFPVBQESA-N 0 2 315.308 1.541 20 30 DDEDLN Cc1c(C#N)cccc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000412325288 533716212 /nfs/dbraw/zinc/71/62/12/533716212.db2.gz UMRRQDSMKFKQKM-GFCCVEGCSA-N 0 2 311.345 1.710 20 30 DDEDLN C#CCN(CC#C)C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000081837879 341308150 /nfs/dbraw/zinc/30/81/50/341308150.db2.gz HUFFIHHYJMHSGK-UHFFFAOYSA-N 0 2 311.316 1.734 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1nc2ccccn2n1 ZINC000163326888 526011704 /nfs/dbraw/zinc/01/17/04/526011704.db2.gz UNNGTQWMNAUFSV-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN COc1ccc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1OC ZINC000026273162 536827105 /nfs/dbraw/zinc/82/71/05/536827105.db2.gz QIDYTFPCGJRSJI-UHFFFAOYSA-N 0 2 311.301 1.351 20 30 DDEDLN COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000818500534 597078598 /nfs/dbraw/zinc/07/85/98/597078598.db2.gz PRAOZWTTYZZCII-BBRMVZONSA-N 0 2 316.357 1.959 20 30 DDEDLN COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC(=O)[O-])C1 ZINC000818500534 597078602 /nfs/dbraw/zinc/07/86/02/597078602.db2.gz PRAOZWTTYZZCII-BBRMVZONSA-N 0 2 316.357 1.959 20 30 DDEDLN C[C@H](CNC(=O)[O-])[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000824966299 603559027 /nfs/dbraw/zinc/55/90/27/603559027.db2.gz CWFAZNQRLQCJFZ-SNVBAGLBSA-N 0 2 315.333 1.696 20 30 DDEDLN C[C@H](CNC(=O)[O-])[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000824966299 603559029 /nfs/dbraw/zinc/55/90/29/603559029.db2.gz CWFAZNQRLQCJFZ-SNVBAGLBSA-N 0 2 315.333 1.696 20 30 DDEDLN C=CCc1cc(C[NH+]2CCN(C(=O)[O-])CC2)cc(OC)c1O ZINC000833379753 604591826 /nfs/dbraw/zinc/59/18/26/604591826.db2.gz LUDRXFWFVYCDIY-UHFFFAOYSA-N 0 2 306.362 1.925 20 30 DDEDLN N#CCCCS(=O)(=O)[N-]C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181267719 697456786 /nfs/dbraw/zinc/45/67/86/697456786.db2.gz LJPQVZGJCGNPMW-UHFFFAOYSA-N 0 2 318.358 1.236 20 30 DDEDLN CCC(=O)c1cccc(S(=O)(=O)Nc2cnn(CC#N)c2)c1 ZINC000772857699 697684950 /nfs/dbraw/zinc/68/49/50/697684950.db2.gz UYIWHYVDGXXGRM-UHFFFAOYSA-N 0 2 318.358 1.800 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2ccc3ncsc3c2)cn1 ZINC000775275903 697977824 /nfs/dbraw/zinc/97/78/24/697977824.db2.gz MTRJHOPQLQCZMB-UHFFFAOYSA-N 0 2 319.371 1.817 20 30 DDEDLN O=C(C/N=C\c1cc([N+](=O)[O-])ccc1O)NCC(F)(F)F ZINC000255213307 698414619 /nfs/dbraw/zinc/41/46/19/698414619.db2.gz MXIMVZJWYWSOBS-TVPGTPATSA-N 0 2 305.212 1.398 20 30 DDEDLN Cn1c(Cl)ncc1S(=O)(=O)Nc1ccc(F)c(C#N)c1 ZINC000759712982 700767669 /nfs/dbraw/zinc/76/76/69/700767669.db2.gz FOGUVVMKRAQBEB-UHFFFAOYSA-N 0 2 314.729 1.885 20 30 DDEDLN C#Cc1cncc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)c1 ZINC000803410297 701112057 /nfs/dbraw/zinc/11/20/57/701112057.db2.gz DUVRWOLGOUZNTE-UHFFFAOYSA-N 0 2 305.297 1.806 20 30 DDEDLN C=CCOc1ccc(CNC(=O)C[C@H]2SC(=N)NC2=O)cc1 ZINC000804140330 701167015 /nfs/dbraw/zinc/16/70/15/701167015.db2.gz FHRHVRCDMZUOBM-GFCCVEGCSA-N 0 2 319.386 1.424 20 30 DDEDLN Cc1cccc2[nH]c([C@@H](C#N)C(=O)COCc3nncn3C)nc21 ZINC000815955147 701975432 /nfs/dbraw/zinc/97/54/32/701975432.db2.gz SPIVOGJRKWMTEA-NSHDSACASA-N 0 2 324.344 1.393 20 30 DDEDLN Cc1cccc2nc([C@@H](C#N)C(=O)COCc3nncn3C)[nH]c21 ZINC000815955147 701975437 /nfs/dbraw/zinc/97/54/37/701975437.db2.gz SPIVOGJRKWMTEA-NSHDSACASA-N 0 2 324.344 1.393 20 30 DDEDLN N#Cc1sc(N2CC(CNC(=O)C(F)(F)F)C2)nc1Cl ZINC000866294713 706667471 /nfs/dbraw/zinc/66/74/71/706667471.db2.gz VEEDCPPXNXLWIW-UHFFFAOYSA-N 0 2 324.715 1.783 20 30 DDEDLN O=C([O-])COc1cccc(C=NNCCCn2cc[nH+]c2)c1 ZINC000848419129 703548404 /nfs/dbraw/zinc/54/84/04/703548404.db2.gz ZGMHMHXZCCFSFD-UHFFFAOYSA-N 0 2 302.334 1.360 20 30 DDEDLN CCOC(=O)C[C@H](NC(=O)C(F)C(F)(F)F)C(F)(F)F ZINC000855516768 704490182 /nfs/dbraw/zinc/49/01/82/704490182.db2.gz CWEGJJNOECYQTA-UJURSFKZSA-N 0 2 313.169 1.887 20 30 DDEDLN C#C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C1CCOCC1 ZINC000856106237 704514063 /nfs/dbraw/zinc/51/40/63/704514063.db2.gz ODFAMHIXNIRYDZ-ZDUSSCGKSA-N 0 2 304.302 1.459 20 30 DDEDLN C[C@H](C#N)CNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000859314863 704861290 /nfs/dbraw/zinc/86/12/90/704861290.db2.gz ATPWCSHVKUMVHB-SSDOTTSWSA-N 0 2 303.240 1.348 20 30 DDEDLN N#CCCCNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000860745908 705270729 /nfs/dbraw/zinc/27/07/29/705270729.db2.gz WIPRXGWSBZPPDG-UHFFFAOYSA-N 0 2 303.240 1.492 20 30 DDEDLN C#CC[N@H+](C)CCCNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000836266752 707427756 /nfs/dbraw/zinc/42/77/56/707427756.db2.gz OGFUTPRLMAKVRW-UHFFFAOYSA-N 0 2 318.421 1.461 20 30 DDEDLN C=C(Cl)C[C@@H]([NH3+])C(=O)[N-]S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000901063732 709908577 /nfs/dbraw/zinc/90/85/77/709908577.db2.gz SXJLGDPDAOVDJY-YTWAJWBKSA-N 0 2 306.815 1.091 20 30 DDEDLN CC(C)(C)C#CC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC000913558990 713260251 /nfs/dbraw/zinc/26/02/51/713260251.db2.gz BZHMNFVAGBRUEA-ZDUSSCGKSA-N 0 2 312.373 1.960 20 30 DDEDLN Cn1ncc2c1nc[nH+]c2[N-]N=Cc1cc([N+](=O)[O-])ccc1O ZINC000915963760 713436655 /nfs/dbraw/zinc/43/66/55/713436655.db2.gz CZRKLYBJXFHJOF-UHFFFAOYSA-N 0 2 313.277 1.423 20 30 DDEDLN CC#CC[NH+]1CC([C@H](C)NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000970736494 720915420 /nfs/dbraw/zinc/91/54/20/720915420.db2.gz COWTWPUCPMKDQG-JTQLQIEISA-N 0 2 314.345 1.002 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)CNc1nccnc1C#N ZINC001104236735 732734537 /nfs/dbraw/zinc/73/45/37/732734537.db2.gz IFBJNCOKAKQDRT-IONNQARKSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)CNc1nccnc1C#N ZINC001104236735 732734540 /nfs/dbraw/zinc/73/45/40/732734540.db2.gz IFBJNCOKAKQDRT-IONNQARKSA-N 0 2 319.262 1.413 20 30 DDEDLN CC#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C(C)(C)[C@@H]21 ZINC001087306832 736012339 /nfs/dbraw/zinc/01/23/39/736012339.db2.gz OYXGBRIMCHAADR-DJIMGWMZSA-N 0 2 314.433 1.581 20 30 DDEDLN C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001028715301 739946160 /nfs/dbraw/zinc/94/61/60/739946160.db2.gz BITWLSSTBXBVIA-HNNXBMFYSA-N 0 2 308.385 1.557 20 30 DDEDLN C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1CC ZINC001087630509 740683651 /nfs/dbraw/zinc/68/36/51/740683651.db2.gz MPXZRFZPJOVEQZ-QLFBSQMISA-N 0 2 302.422 1.601 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)c(F)c2)CCC1=O ZINC001189297873 744861682 /nfs/dbraw/zinc/86/16/82/744861682.db2.gz XCNGHVMLWFCRNC-SNVBAGLBSA-N 0 2 314.313 1.209 20 30 DDEDLN COC(=O)c1cc(C#N)ccc1NS(=O)(=O)c1ccncc1 ZINC001190896198 745371108 /nfs/dbraw/zinc/37/11/08/745371108.db2.gz FUTASHSHQDGUKU-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN C[C@@H](C#N)S(=O)(=O)Nc1ccc(S(=O)(=O)C2CC2)cc1 ZINC001193160488 746002717 /nfs/dbraw/zinc/00/27/17/746002717.db2.gz DHODWLOSDGHYRX-VIFPVBQESA-N 0 2 314.388 1.276 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2nc(Cl)nc3[nH]cnc32)c1O ZINC001193634560 746156418 /nfs/dbraw/zinc/15/64/18/746156418.db2.gz FOWRYVIKSFIXQU-UHFFFAOYSA-N 0 2 314.692 1.836 20 30 DDEDLN C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnc(-c2ccccc2)[nH]1 ZINC001032654246 752607509 /nfs/dbraw/zinc/60/75/09/752607509.db2.gz UCCLECHSPSLUAN-HOTGVXAUSA-N 0 2 320.396 1.999 20 30 DDEDLN C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001079700779 755536708 /nfs/dbraw/zinc/53/67/08/755536708.db2.gz KYQQNXRVJJCIOW-BPLDGKMQSA-N 0 2 302.422 1.842 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)C(F)C(F)(F)F)C2)cn1 ZINC001097258547 757025782 /nfs/dbraw/zinc/02/57/82/757025782.db2.gz RDTWMCRVNFUFRU-OUAUKWLOSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2)cn1 ZINC001097258547 757025786 /nfs/dbraw/zinc/02/57/86/757025786.db2.gz RDTWMCRVNFUFRU-OUAUKWLOSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)C(F)C(F)(F)F)C2)nn1 ZINC001097258386 757026302 /nfs/dbraw/zinc/02/63/02/757026302.db2.gz JQFKXBSQUTXZQF-KHQFGBGNSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2)nn1 ZINC001097258386 757026309 /nfs/dbraw/zinc/02/63/09/757026309.db2.gz JQFKXBSQUTXZQF-KHQFGBGNSA-N 0 2 317.246 1.308 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccncc1C#N ZINC001113934852 766425917 /nfs/dbraw/zinc/42/59/17/766425917.db2.gz RPTOFNWFSYAJTQ-LDYMZIIASA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1ccncc1C#N ZINC001113934852 766425922 /nfs/dbraw/zinc/42/59/22/766425922.db2.gz RPTOFNWFSYAJTQ-LDYMZIIASA-N 0 2 318.274 1.795 20 30 DDEDLN CC[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001103340394 778800297 /nfs/dbraw/zinc/80/02/97/778800297.db2.gz CBBXQSUXKDZTQX-IONNQARKSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001103340394 778800302 /nfs/dbraw/zinc/80/03/02/778800302.db2.gz CBBXQSUXKDZTQX-IONNQARKSA-N 0 2 319.262 1.555 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CC1(C#N)CCOCC1 ZINC001122655505 858929929 /nfs/dbraw/zinc/92/99/29/858929929.db2.gz NPKOLBBHRKNIPZ-LLVKDONJSA-N 0 2 300.318 1.022 20 30 DDEDLN C=CCn1cc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)nn1 ZINC001160639788 865986631 /nfs/dbraw/zinc/98/66/31/865986631.db2.gz OZHFFZRBMPWTMW-UHFFFAOYSA-N 0 2 313.296 1.641 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CCSCC1 ZINC001340207971 870960079 /nfs/dbraw/zinc/96/00/79/870960079.db2.gz WFEIBQWGFOYMRQ-UHFFFAOYSA-N 0 2 320.422 1.606 20 30 DDEDLN Cc1nc2sccc2c(=O)n1NC(=O)c1coc(C#N)c1 ZINC001352017451 876558299 /nfs/dbraw/zinc/55/82/99/876558299.db2.gz KKRZBZKGNJRXMD-UHFFFAOYSA-N 0 2 300.299 1.615 20 30 DDEDLN C[C@@H](C(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1)C(F)(F)F ZINC001374664672 913514585 /nfs/dbraw/zinc/51/45/85/913514585.db2.gz FWSRMOULZDIEGI-UJURSFKZSA-N 0 2 324.196 1.412 20 30 DDEDLN C[C@@H](C(=O)N1CC(NC(=O)[C@@H](F)C(F)(F)F)C1)C(F)(F)F ZINC001374664672 913514604 /nfs/dbraw/zinc/51/46/04/913514604.db2.gz FWSRMOULZDIEGI-UJURSFKZSA-N 0 2 324.196 1.412 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cncc(CO)c2)c(Cl)c1 ZINC001259107615 898471893 /nfs/dbraw/zinc/47/18/93/898471893.db2.gz HQOMMWUVODCQET-UHFFFAOYSA-N 0 2 323.761 1.900 20 30 DDEDLN COCCn1nccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC001259118939 898475481 /nfs/dbraw/zinc/47/54/81/898475481.db2.gz YANMMHXEFABTOS-UHFFFAOYSA-N 0 2 306.347 1.202 20 30 DDEDLN N#Cc1cncc(NS(=O)(=O)CCc2ccccc2F)n1 ZINC001259780559 898796711 /nfs/dbraw/zinc/79/67/11/898796711.db2.gz JXEJDKQFMPNGGJ-UHFFFAOYSA-N 0 2 306.322 1.472 20 30 DDEDLN C#CCCCC(=O)N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001293576425 914563013 /nfs/dbraw/zinc/56/30/13/914563013.db2.gz KYEXSKCRHPLEPO-MWLCHTKSSA-N 0 2 308.275 1.407 20 30 DDEDLN C#CCCCC(=O)N[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001293576425 914563022 /nfs/dbraw/zinc/56/30/22/914563022.db2.gz KYEXSKCRHPLEPO-MWLCHTKSSA-N 0 2 308.275 1.407 20 30 DDEDLN C[C@@H](NC(=O)C(F)C(F)(F)F)C1CN(C(=O)C#CC2CC2)C1 ZINC001280635400 903869030 /nfs/dbraw/zinc/86/90/30/903869030.db2.gz HWQPXOZTCLFJOF-PELKAZGASA-N 0 2 320.286 1.263 20 30 DDEDLN C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1CN(C(=O)C#CC2CC2)C1 ZINC001280635400 903869045 /nfs/dbraw/zinc/86/90/45/903869045.db2.gz HWQPXOZTCLFJOF-PELKAZGASA-N 0 2 320.286 1.263 20 30 DDEDLN C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)NC(=O)C#CC1CC1 ZINC001281013555 904318749 /nfs/dbraw/zinc/31/87/49/904318749.db2.gz WXWUBFKUKNTSMJ-GZMMTYOYSA-N 0 2 308.275 1.263 20 30 DDEDLN C[C@@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)NC(=O)C#CC1CC1 ZINC001281013555 904318763 /nfs/dbraw/zinc/31/87/63/904318763.db2.gz WXWUBFKUKNTSMJ-GZMMTYOYSA-N 0 2 308.275 1.263 20 30 DDEDLN O=C(C#CC1CC1)NC[C@@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001285856810 911316103 /nfs/dbraw/zinc/31/61/03/911316103.db2.gz RZKQAKBKTPMBTQ-ONGXEEELSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(C#CC1CC1)NC[C@@H]1CCN1C(=O)[C@H](F)C(F)(F)F ZINC001285856810 911316121 /nfs/dbraw/zinc/31/61/21/911316121.db2.gz RZKQAKBKTPMBTQ-ONGXEEELSA-N 0 2 306.259 1.017 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)c1 ZINC000614298175 361793845 /nfs/dbraw/zinc/79/38/45/361793845.db2.gz GZAWSDXKTWBKBZ-UHFFFAOYSA-N 0 2 322.280 1.859 20 30 DDEDLN C#CCNC(=O)c1ccccc1NS(=O)(=O)N1CCCCC1 ZINC000078238233 353506562 /nfs/dbraw/zinc/50/65/62/353506562.db2.gz UVMKAVJLMAHEDB-UHFFFAOYSA-N 0 2 321.402 1.192 20 30 DDEDLN C[C@@H](C#N)CNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000185642488 354281773 /nfs/dbraw/zinc/28/17/73/354281773.db2.gz AKBVAKDVONCNQA-NSHDSACASA-N 0 2 314.349 1.343 20 30 DDEDLN CO[C@@H](CS(=O)(=O)Nc1ccn(CCC#N)n1)C(C)C ZINC000592350772 355564811 /nfs/dbraw/zinc/56/48/11/355564811.db2.gz GMFNMVCPCVHIKE-NSHDSACASA-N 0 2 300.384 1.209 20 30 DDEDLN N#Cc1ccc(O[C@H]2CCN(c3cc[nH+]c(C(=O)[O-])c3)C2)nc1 ZINC000593329178 355855311 /nfs/dbraw/zinc/85/53/11/355855311.db2.gz YNRCIIXRUSPHFU-ZDUSSCGKSA-N 0 2 310.313 1.704 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](CO)CCC(C)C)cc1C#N ZINC000600305765 358191261 /nfs/dbraw/zinc/19/12/61/358191261.db2.gz AXVPMYHZYIZERA-NSHDSACASA-N 0 2 323.418 1.908 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H](C)O[C@@H]2C)cc1C#N ZINC000601762701 358684199 /nfs/dbraw/zinc/68/41/99/358684199.db2.gz WBFWFHUEDQSUKU-SOCHQFKDSA-N 0 2 307.375 1.676 20 30 DDEDLN Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@@]1(C)CCOC1 ZINC000330201864 223087999 /nfs/dbraw/zinc/08/79/99/223087999.db2.gz YLXQFGUWQPZIBS-GOEBONIOSA-N 0 2 306.410 1.997 20 30 DDEDLN C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[NH+]2CCOCC2)CC1 ZINC000106259433 407358747 /nfs/dbraw/zinc/35/87/47/407358747.db2.gz DBDKLGFDWZHUQT-HNNXBMFYSA-N 0 2 324.469 1.047 20 30 DDEDLN COc1cccc([C@H]2C[C@@H]2C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000106905158 407365867 /nfs/dbraw/zinc/36/58/67/407365867.db2.gz KEHIZDHJSVMFJY-NEPJUHHUSA-N 0 2 307.313 1.904 20 30 DDEDLN Cc1cc(C(=O)Nc2cccc(C#N)c2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000151473478 407443459 /nfs/dbraw/zinc/44/34/59/407443459.db2.gz GOHZUPNWDZKMQH-UHFFFAOYSA-N 0 2 321.296 1.456 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCCS2)cc1C#N ZINC000155058226 408122430 /nfs/dbraw/zinc/12/24/30/408122430.db2.gz ILNREXRISLFLGZ-VIFPVBQESA-N 0 2 309.416 1.594 20 30 DDEDLN N#Cc1cccc(N2CCN(c3cccc(C(=O)[O-])[nH+]3)CC2)n1 ZINC000263412807 408133552 /nfs/dbraw/zinc/13/35/52/408133552.db2.gz MVHWWGPKAKJASK-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN COCCn1ccc(NS(=O)(=O)c2cc(C#N)ccc2C)n1 ZINC000265193460 408574756 /nfs/dbraw/zinc/57/47/56/408574756.db2.gz COYVWGBPWHAWRO-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN C=CCNC(=O)c1ccccc1NS(=O)(=O)N1CCC[C@H]1C ZINC000185173011 408774841 /nfs/dbraw/zinc/77/48/41/408774841.db2.gz CRHOGVGNIGGWMD-GFCCVEGCSA-N 0 2 323.418 1.743 20 30 DDEDLN C=CC[C@@H](CC)NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000281559690 408891122 /nfs/dbraw/zinc/89/11/22/408891122.db2.gz ZOYNGSDLKFYZCM-SECBINFHSA-N 0 2 302.334 1.829 20 30 DDEDLN CN(C)c1noc(Cn2[nH]c(C(C)(C)C)c(CCC#N)c2=O)n1 ZINC000289412779 409266310 /nfs/dbraw/zinc/26/63/10/409266310.db2.gz PNNMHUYCDYIZQE-UHFFFAOYSA-N 0 2 318.381 1.840 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)cc1C#N ZINC000314190564 164013275 /nfs/dbraw/zinc/01/32/75/164013275.db2.gz REEJNSYSQDKTBQ-UHFFFAOYSA-N 0 2 305.363 1.909 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000408505910 164353826 /nfs/dbraw/zinc/35/38/26/164353826.db2.gz YXYYWAJLFSOCNL-TUAOUCFPSA-N 0 2 305.359 1.194 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@H](c2ccccc2)n2cccn2)c1C#N ZINC000357230041 409948901 /nfs/dbraw/zinc/94/89/01/409948901.db2.gz JSQUDYJHBBXEFV-AWEZNQCLSA-N 0 2 306.329 2.014 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2ccccc2Oc2cnn(C)c2)c1C#N ZINC000357240983 409949109 /nfs/dbraw/zinc/94/91/09/409949109.db2.gz JJOJIFOJLCTHOG-UHFFFAOYSA-N 0 2 322.328 2.368 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCc2cscn2)cc1C#N ZINC000347103267 410347132 /nfs/dbraw/zinc/34/71/32/410347132.db2.gz IXWMFYYUDIZWFQ-UHFFFAOYSA-N 0 2 320.399 1.810 20 30 DDEDLN CC/N=C1/NC(=O)C(CC(=O)Nc2ccc(N(C)C)cc2)S1 ZINC000298794627 410402137 /nfs/dbraw/zinc/40/21/37/410402137.db2.gz BNKIKSDAGCMVSA-LBPRGKRZSA-N 0 2 320.418 1.689 20 30 DDEDLN CC/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(N(C)C)cc2)S1 ZINC000298794627 410402147 /nfs/dbraw/zinc/40/21/47/410402147.db2.gz BNKIKSDAGCMVSA-LBPRGKRZSA-N 0 2 320.418 1.689 20 30 DDEDLN Cc1nc2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2n1C ZINC000359210350 410579734 /nfs/dbraw/zinc/57/97/34/410579734.db2.gz BWDMJSAHDFINSI-UHFFFAOYSA-N 0 2 305.301 1.600 20 30 DDEDLN COCc1nc(C)c(C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)s1 ZINC000359716912 410831256 /nfs/dbraw/zinc/83/12/56/410831256.db2.gz NDMAFRDTWKTIJB-UHFFFAOYSA-N 0 2 317.374 2.322 20 30 DDEDLN CN(C)c1cc(NS(=O)(=O)c2cccc(C#N)c2)ncn1 ZINC000430063378 420075582 /nfs/dbraw/zinc/07/55/82/420075582.db2.gz YRNBDTRWHYTKGH-UHFFFAOYSA-N 0 2 303.347 1.215 20 30 DDEDLN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000437502258 420408371 /nfs/dbraw/zinc/40/83/71/420408371.db2.gz UZLOHBLGGDPMQL-IINYFYTJSA-N 0 2 316.361 1.385 20 30 DDEDLN COCCn1ccc(C(=O)[C@@H](C#N)c2nc3c(nccc3C)[nH]2)n1 ZINC000527132130 421360079 /nfs/dbraw/zinc/36/00/79/421360079.db2.gz BWEXKSHQNVNCDK-LLVKDONJSA-N 0 2 324.344 1.599 20 30 DDEDLN COCCCn1cc(C(=O)[C@H](C#N)c2cc(C)nc(C)n2)cn1 ZINC000528918081 421524313 /nfs/dbraw/zinc/52/43/13/421524313.db2.gz NXMFEZMGQNQPMH-CQSZACIVSA-N 0 2 313.361 1.817 20 30 DDEDLN C[C@@H]1[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)[C@@H]1C1CC1 ZINC000529021322 421526235 /nfs/dbraw/zinc/52/62/35/421526235.db2.gz NEEKHOFAOHIHQF-AQUOVQTQSA-N 0 2 305.359 1.050 20 30 DDEDLN CCc1onc(C)c1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427296079 267249789 /nfs/dbraw/zinc/24/97/89/267249789.db2.gz MNCDVPIIEAENRG-UHFFFAOYSA-N 0 2 306.347 1.921 20 30 DDEDLN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000367368447 268019190 /nfs/dbraw/zinc/01/91/90/268019190.db2.gz TUZGWUOPNHOGMT-SECBINFHSA-N 0 2 314.305 1.674 20 30 DDEDLN N#C[C@H]1CN(C(=O)c2cc(F)cc(Cl)c2O)CCN1C1CC1 ZINC000370688496 303169119 /nfs/dbraw/zinc/16/91/19/303169119.db2.gz GMHSYQAQIFJLFH-NSHDSACASA-N 0 2 323.755 1.997 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1O ZINC000571526420 308197347 /nfs/dbraw/zinc/19/73/47/308197347.db2.gz SUXARLNLHUYYDP-UHFFFAOYSA-N 0 2 313.317 1.107 20 30 DDEDLN C=C(C)CN(CC)C(=O)CS(=O)(=O)c1nc2ccccc2[nH]1 ZINC000047939967 334735308 /nfs/dbraw/zinc/73/53/08/334735308.db2.gz JNOCTYBVLFEMQT-UHFFFAOYSA-N 0 2 321.402 1.761 20 30 DDEDLN C=CCNC(=O)c1ccccc1NS(=O)(=O)N(C)CC1CC1 ZINC000348777627 526662683 /nfs/dbraw/zinc/66/26/83/526662683.db2.gz VLYVTURUVZDKQQ-UHFFFAOYSA-N 0 2 323.418 1.601 20 30 DDEDLN C=CC[C@@H](CO)CNC(=O)C1=NN(c2ccccc2)CC1=O ZINC000342161306 527077682 /nfs/dbraw/zinc/07/76/82/527077682.db2.gz LNGGURRJRHGWHV-GFCCVEGCSA-N 0 2 301.346 1.492 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1cc(OC)c(OC)cc1OC ZINC000416952091 529271286 /nfs/dbraw/zinc/27/12/86/529271286.db2.gz IZWUTWZWFXGBIJ-VIFPVBQESA-N 0 2 314.363 1.756 20 30 DDEDLN C[C@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001120845931 782180969 /nfs/dbraw/zinc/18/09/69/782180969.db2.gz SYCBSPFARDAULP-GMSGAONNSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001120845931 782180977 /nfs/dbraw/zinc/18/09/77/782180977.db2.gz SYCBSPFARDAULP-GMSGAONNSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001120845934 782181508 /nfs/dbraw/zinc/18/15/08/782181508.db2.gz SYCBSPFARDAULP-XCBNKYQSSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CN(C)C(=O)[C@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001120845934 782181513 /nfs/dbraw/zinc/18/15/13/782181513.db2.gz SYCBSPFARDAULP-XCBNKYQSSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@](C#N)(CC(=O)[O-])C(=O)OCc1ccc(-n2cc[nH+]c2)cc1 ZINC000819875433 597617101 /nfs/dbraw/zinc/61/71/01/597617101.db2.gz WTRIXOUGPPTPTG-MRXNPFEDSA-N 0 2 313.313 1.920 20 30 DDEDLN CC(C)(C/N=C/c1cc([N+](=O)[O-])ccc1O)NS(C)(=O)=O ZINC000109195361 696637047 /nfs/dbraw/zinc/63/70/47/696637047.db2.gz CEAOPDNOQYZROJ-NTUHNPAUSA-N 0 2 315.351 1.047 20 30 DDEDLN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cnc[nH]2)C1=O ZINC000725878782 699336812 /nfs/dbraw/zinc/33/68/12/699336812.db2.gz PMZRQZHMMZTFSQ-HNNXBMFYSA-N 0 2 321.381 1.726 20 30 DDEDLN CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2c[nH+]c[nH]2)C1=O ZINC000725878782 699336816 /nfs/dbraw/zinc/33/68/16/699336816.db2.gz PMZRQZHMMZTFSQ-HNNXBMFYSA-N 0 2 321.381 1.726 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000789401040 699384188 /nfs/dbraw/zinc/38/41/88/699384188.db2.gz XDDQVWBLRQMSLO-QWHCGFSZSA-N 0 2 307.309 1.682 20 30 DDEDLN CCOCCCNC(=O)C(C#N)=C([O-])c1cn2ccccc2[nH+]1 ZINC000729067445 699465736 /nfs/dbraw/zinc/46/57/36/699465736.db2.gz GVNVQFJFPNNZEK-LBPRGKRZSA-N 0 2 314.345 1.200 20 30 DDEDLN O=C(CC1S/C(=N/C2CC2)NC1=O)Nc1cccc(O)c1 ZINC000731357689 699527557 /nfs/dbraw/zinc/52/75/57/699527557.db2.gz NKUWWSDZKJDWQX-NSHDSACASA-N 0 2 305.359 1.471 20 30 DDEDLN C=CCOCCCOC(=O)Cc1c(C)nc2cc[nH]n2c1=O ZINC000795510763 699872579 /nfs/dbraw/zinc/87/25/79/699872579.db2.gz RPLIGFNNLTUKEY-UHFFFAOYSA-N 0 2 305.334 1.009 20 30 DDEDLN C#Cc1cccc(N(CC)C(=O)CC2SC(=N)NC2=O)c1 ZINC000742634384 699884280 /nfs/dbraw/zinc/88/42/80/699884280.db2.gz OBNRRWUMPZKJEL-LBPRGKRZSA-N 0 2 301.371 1.577 20 30 DDEDLN C#CCOCCNC(=O)C1=NN(c2ccccc2CC)CC1=O ZINC000753524254 700441032 /nfs/dbraw/zinc/44/10/32/700441032.db2.gz ZRABIIKFFHBQPO-UHFFFAOYSA-N 0 2 313.357 1.520 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H](C)CC(=O)OC)n1 ZINC000758514964 700709706 /nfs/dbraw/zinc/70/97/06/700709706.db2.gz DILHRUWDTLMWHQ-DTWKUNHWSA-N 0 2 324.358 1.695 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H](C)CC(=O)OC)n1 ZINC000758514964 700709707 /nfs/dbraw/zinc/70/97/07/700709707.db2.gz DILHRUWDTLMWHQ-DTWKUNHWSA-N 0 2 324.358 1.695 20 30 DDEDLN N#C[C@@H](C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccncn1 ZINC000760352233 700804319 /nfs/dbraw/zinc/80/43/19/700804319.db2.gz JBMPCGVUMIFRMH-NWDGAFQWSA-N 0 2 310.288 1.918 20 30 DDEDLN CC(C)c1csc([C@H](C#N)C(=O)CCn2ncn(C)c2=O)n1 ZINC000815970615 701979245 /nfs/dbraw/zinc/97/92/45/701979245.db2.gz DYLATPQWRCPAKV-SNVBAGLBSA-N 0 2 319.390 1.428 20 30 DDEDLN C#CCCCS(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000840945237 702288934 /nfs/dbraw/zinc/28/89/34/702288934.db2.gz FTRCECOBABULEV-UHFFFAOYSA-N 0 2 308.319 1.626 20 30 DDEDLN Cc1cc(C(C#N)C(=O)COCC(=O)OC(C)(C)C)nc(C)n1 ZINC000842683753 702756077 /nfs/dbraw/zinc/75/60/77/702756077.db2.gz BZUKDXAYPAMQGC-LBPRGKRZSA-N 0 2 319.361 1.628 20 30 DDEDLN N#CCC(=O)N1CCN(C(=O)c2c(Cl)[nH]nc2C2CC2)CC1 ZINC000866655607 706754074 /nfs/dbraw/zinc/75/40/74/706754074.db2.gz CXZAAKUQEPHBKX-UHFFFAOYSA-N 0 2 321.768 1.139 20 30 DDEDLN N#CC(C(=O)NC1CCCCC1)=C([O-])c1[nH+]cc2n1CCCC2 ZINC000870139841 703926447 /nfs/dbraw/zinc/92/64/47/703926447.db2.gz YDGLQFVVKQJFHW-CQSZACIVSA-N 0 2 314.389 1.991 20 30 DDEDLN CC(C)N1CC[C@@H]([NH2+][C@H](C(=O)[O-])c2cccc(C#N)c2)C1=O ZINC000826965983 705902014 /nfs/dbraw/zinc/90/20/14/705902014.db2.gz HRKGVQKJAXZDGS-KGLIPLIRSA-N 0 2 301.346 1.283 20 30 DDEDLN Cn1ncc2c1nc(N=NC(C1CCC1)[C@@H]1CCCO1)[nH]c2=O ZINC000872352126 707387628 /nfs/dbraw/zinc/38/76/28/707387628.db2.gz DVEOUSFWGBDFSZ-NSHDSACASA-N 0 2 316.365 1.816 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1csc(C2CC2)n1 ZINC000873512556 707881019 /nfs/dbraw/zinc/88/10/19/707881019.db2.gz YAOFETVSVQRFHJ-NSHDSACASA-N 0 2 314.370 1.888 20 30 DDEDLN C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001027979626 738901523 /nfs/dbraw/zinc/90/15/23/738901523.db2.gz FTIVYLYEXDYZOD-LSDHHAIUSA-N 0 2 302.422 1.602 20 30 DDEDLN C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001035361651 751446566 /nfs/dbraw/zinc/44/65/66/751446566.db2.gz OEJGPKJHPFFOPO-JKSUJKDBSA-N 0 2 309.454 1.252 20 30 DDEDLN CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001088050851 740969072 /nfs/dbraw/zinc/96/90/72/740969072.db2.gz YILUEBHSMXDDMT-CVEARBPZSA-N 0 2 314.433 1.156 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)Cc2cc(F)cc(F)c2)CCC1=O ZINC001185107926 744161596 /nfs/dbraw/zinc/16/15/96/744161596.db2.gz XCURCLSWPAPUNR-SNVBAGLBSA-N 0 2 314.313 1.209 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)Cc2cc(F)cc(F)c2)CCC1=O ZINC001185107925 744161720 /nfs/dbraw/zinc/16/17/20/744161720.db2.gz XCURCLSWPAPUNR-JTQLQIEISA-N 0 2 314.313 1.209 20 30 DDEDLN Cn1c(=O)[nH]c(NCCc2cccc3[nH]ccc32)c(C#N)c1=O ZINC001186248613 744363499 /nfs/dbraw/zinc/36/34/99/744363499.db2.gz LWZDHEBHMARLGF-UHFFFAOYSA-N 0 2 309.329 1.081 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)Cc2cccc(F)c2F)CCC1=O ZINC001189438436 744898792 /nfs/dbraw/zinc/89/87/92/744898792.db2.gz DHWJWFIZWIGFSE-SNVBAGLBSA-N 0 2 314.313 1.209 20 30 DDEDLN C=C[C@@H]1C[C@]1(NC(=O)c1ccc(F)c(F)c1O)C(=O)OCC ZINC001192810949 745901353 /nfs/dbraw/zinc/90/13/53/745901353.db2.gz MURRIZGMXZVOFA-ANRSDYALSA-N 0 2 311.284 1.908 20 30 DDEDLN COC(=O)C1(C#N)CCN(C(=O)c2cc(F)c(O)cc2F)CC1 ZINC001192871116 745909341 /nfs/dbraw/zinc/90/93/41/745909341.db2.gz BJNYAPFLKPIYKA-UHFFFAOYSA-N 0 2 324.283 1.589 20 30 DDEDLN N#CCS(=O)(=O)Nc1c(F)cccc1OC1CCOCC1 ZINC001192986365 745942385 /nfs/dbraw/zinc/94/23/85/745942385.db2.gz ZMSZPTDACLRSMM-UHFFFAOYSA-N 0 2 314.338 1.649 20 30 DDEDLN CC(C)S(=O)(=O)c1ccc(NS(=O)(=O)[C@@H](C)C#N)cc1 ZINC001193140489 745994412 /nfs/dbraw/zinc/99/44/12/745994412.db2.gz ZUNDXRTXGBKKDK-JTQLQIEISA-N 0 2 316.404 1.522 20 30 DDEDLN COc1ccc(F)c(S(=O)(=O)Nc2ccnc(C#N)c2)c1 ZINC001196722435 746944524 /nfs/dbraw/zinc/94/45/24/746944524.db2.gz HCRPXIOEZPUYLV-UHFFFAOYSA-N 0 2 307.306 1.324 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1(NC(=O)C(F)C(F)(F)F)CCC1 ZINC001064310150 754606829 /nfs/dbraw/zinc/60/68/29/754606829.db2.gz FYEZHUOTUMUMQC-JGVFFNPUSA-N 0 2 309.263 1.202 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001064310150 754606832 /nfs/dbraw/zinc/60/68/32/754606832.db2.gz FYEZHUOTUMUMQC-JGVFFNPUSA-N 0 2 309.263 1.202 20 30 DDEDLN N#Cc1ccc(N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)nn1 ZINC001056804156 761444147 /nfs/dbraw/zinc/44/41/47/761444147.db2.gz QUMATONCOICVFH-SCZZXKLOSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)nn1 ZINC001056804156 761444150 /nfs/dbraw/zinc/44/41/50/761444150.db2.gz QUMATONCOICVFH-SCZZXKLOSA-N 0 2 317.246 1.261 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nc1 ZINC001098328612 768291600 /nfs/dbraw/zinc/29/16/00/768291600.db2.gz ZEVJSVUEOAAVJW-OIBJUYFYSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ccc(C#N)nc1 ZINC001098328612 768291606 /nfs/dbraw/zinc/29/16/06/768291606.db2.gz ZEVJSVUEOAAVJW-OIBJUYFYSA-N 0 2 304.247 1.770 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N(C)C[C@H](C)C#N ZINC001121615195 782594415 /nfs/dbraw/zinc/59/44/15/782594415.db2.gz HADRDEVQTNMRPO-MRVPVSSYSA-N 0 2 306.761 1.498 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)cn1 ZINC001098328112 767510550 /nfs/dbraw/zinc/51/05/50/767510550.db2.gz UBETUZXIRAKZBG-XCBNKYQSSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ccc(C#N)cn1 ZINC001098328112 767510557 /nfs/dbraw/zinc/51/05/57/767510557.db2.gz UBETUZXIRAKZBG-XCBNKYQSSA-N 0 2 304.247 1.770 20 30 DDEDLN N#Cc1ccc(N2CC[C@H](NC(=O)C(F)C(F)(F)F)C2)cn1 ZINC001096492091 770471819 /nfs/dbraw/zinc/47/18/19/770471819.db2.gz SAHMFTXBQPHBJY-GXSJLCMTSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1ccc(N2CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2)cn1 ZINC001096492091 770471826 /nfs/dbraw/zinc/47/18/26/770471826.db2.gz SAHMFTXBQPHBJY-GXSJLCMTSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1cnc(NCCCNC(=O)C(F)C(F)(F)F)cn1 ZINC001094846025 776467671 /nfs/dbraw/zinc/46/76/71/776467671.db2.gz KHWAONRNCLIQTL-SECBINFHSA-N 0 2 305.235 1.167 20 30 DDEDLN N#Cc1cnc(NCCCNC(=O)[C@@H](F)C(F)(F)F)cn1 ZINC001094846025 776467679 /nfs/dbraw/zinc/46/76/79/776467679.db2.gz KHWAONRNCLIQTL-SECBINFHSA-N 0 2 305.235 1.167 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1cnc(C#N)cn1 ZINC001100748232 776496706 /nfs/dbraw/zinc/49/67/06/776496706.db2.gz TYXUQOMZAOBQEJ-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN CCN(CCNC(=O)[C@@H](F)C(F)(F)F)c1cnc(C#N)cn1 ZINC001100748232 776496707 /nfs/dbraw/zinc/49/67/07/776496707.db2.gz TYXUQOMZAOBQEJ-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN N#Cc1cncc(NCCCNC(=O)C(F)C(F)(F)F)n1 ZINC001094846181 776499271 /nfs/dbraw/zinc/49/92/71/776499271.db2.gz NOBDNBSBOMBFOG-VIFPVBQESA-N 0 2 305.235 1.167 20 30 DDEDLN N#Cc1cncc(NCCCNC(=O)[C@H](F)C(F)(F)F)n1 ZINC001094846181 776499276 /nfs/dbraw/zinc/49/92/76/776499276.db2.gz NOBDNBSBOMBFOG-VIFPVBQESA-N 0 2 305.235 1.167 20 30 DDEDLN N#Cc1nccnc1NCCCNC(=O)C(F)C(F)(F)F ZINC001094846136 776499300 /nfs/dbraw/zinc/49/93/00/776499300.db2.gz MRURXQKWQVDIQM-QMMMGPOBSA-N 0 2 305.235 1.167 20 30 DDEDLN N#Cc1nccnc1NCCCNC(=O)[C@H](F)C(F)(F)F ZINC001094846136 776499304 /nfs/dbraw/zinc/49/93/04/776499304.db2.gz MRURXQKWQVDIQM-QMMMGPOBSA-N 0 2 305.235 1.167 20 30 DDEDLN C=CCCC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001326655687 861514218 /nfs/dbraw/zinc/51/42/18/861514218.db2.gz PEBOVJIZIOWCAO-JKSUJKDBSA-N 0 2 309.454 1.111 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2cc(CO)ccn2)cc1C#N ZINC001412260942 854386254 /nfs/dbraw/zinc/38/62/54/854386254.db2.gz NZJXPUFIKCEFCD-UHFFFAOYSA-N 0 2 316.342 1.520 20 30 DDEDLN Cn1c(=O)[nH]c(N2CC[C@@H](CC(C)(C)C)C2(C)C)c(C#N)c1=O ZINC001412895619 855766222 /nfs/dbraw/zinc/76/62/22/855766222.db2.gz FOOWMAIGVZENDJ-NSHDSACASA-N 0 2 318.421 1.986 20 30 DDEDLN Cc1[nH]ncc1CNS(=O)(=O)Cc1ccc(F)cc1C#N ZINC001413280978 856608610 /nfs/dbraw/zinc/60/86/10/856608610.db2.gz NHBRHDWLGSPTBR-UHFFFAOYSA-N 0 2 308.338 1.349 20 30 DDEDLN COc1ccc(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c(C)c1 ZINC001122813593 858977232 /nfs/dbraw/zinc/97/72/32/858977232.db2.gz LDSKXETYASIIEE-CQSZACIVSA-N 0 2 311.341 1.871 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccc(C#N)cn2)cc1C#N ZINC001361339386 881469169 /nfs/dbraw/zinc/46/91/69/881469169.db2.gz MZSMJSBNXXNYTH-UHFFFAOYSA-N 0 2 311.326 1.900 20 30 DDEDLN Cn1cc(N2CC[C@@H](/N=C/c3cc([N+](=O)[O-])ccc3O)C2)cn1 ZINC001322956217 866215747 /nfs/dbraw/zinc/21/57/47/866215747.db2.gz ZLENISFSHYOYDY-DYPRAHPUSA-N 0 2 315.333 1.732 20 30 DDEDLN C=C[C@@H]1O[C@@H](Oc2nc(C)[nH]c(=O)c2F)[C@H]2OC(C)(C)O[C@@H]12 ZINC001226422838 882417011 /nfs/dbraw/zinc/41/70/11/882417011.db2.gz ABNYXFSQKWPUFD-PYSAPBNWSA-N 0 2 312.297 1.440 20 30 DDEDLN C=C[C@@H]1O[C@H](Oc2nc(C)[nH]c(=O)c2F)[C@H]2OC(C)(C)O[C@@H]12 ZINC001226422837 882417474 /nfs/dbraw/zinc/41/74/74/882417474.db2.gz ABNYXFSQKWPUFD-OEINEHKASA-N 0 2 312.297 1.440 20 30 DDEDLN C=C[C@H](CO)NC(=O)c1cc(Br)cc(F)c1O ZINC001301292648 870984186 /nfs/dbraw/zinc/98/41/86/870984186.db2.gz DTQCLNAURHLLJL-SSDOTTSWSA-N 0 2 304.115 1.571 20 30 DDEDLN C=CC(C)(C)C(=O)N(C)C1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001316933623 871851357 /nfs/dbraw/zinc/85/13/57/871851357.db2.gz NTIVWPBWZBGINY-UHFFFAOYSA-N 0 2 307.398 1.145 20 30 DDEDLN COCCCNC(=O)C(C#N)=C([O-])c1c[nH+]c2n1CCCCC2 ZINC001341849787 871854407 /nfs/dbraw/zinc/85/44/07/871854407.db2.gz KCTYUSLXGIFUEC-LBPRGKRZSA-N 0 2 318.377 1.085 20 30 DDEDLN C[NH+](C)CCN1CCC12C[NH+](Cc1ccc(C#N)cc1[O-])C2 ZINC001276494495 872613768 /nfs/dbraw/zinc/61/37/68/872613768.db2.gz UORVQWWSXPBXDL-UHFFFAOYSA-N 0 2 300.406 1.086 20 30 DDEDLN C#CCCCC(=O)N1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001352852834 876969086 /nfs/dbraw/zinc/96/90/86/876969086.db2.gz DNDRUCRVKZMLMA-MWLCHTKSSA-N 0 2 308.275 1.407 20 30 DDEDLN C#CCCCC(=O)N1CC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001352852834 876969095 /nfs/dbraw/zinc/96/90/95/876969095.db2.gz DNDRUCRVKZMLMA-MWLCHTKSSA-N 0 2 308.275 1.407 20 30 DDEDLN CC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1c(C)noc1C ZINC001413881788 880580669 /nfs/dbraw/zinc/58/06/69/880580669.db2.gz HWDWQTXCMLHNJW-JTQLQIEISA-N 0 2 303.322 1.113 20 30 DDEDLN CC[N@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)C(C)(C)C(=O)OC ZINC001363329083 886037407 /nfs/dbraw/zinc/03/74/07/886037407.db2.gz PTORVHJQPOUXQH-UHFFFAOYSA-N 0 2 317.349 1.080 20 30 DDEDLN CC[N@@H+](Cc1cc(=O)n2[n-]cc(C#N)c2n1)C(C)(C)C(=O)OC ZINC001363329083 886037422 /nfs/dbraw/zinc/03/74/22/886037422.db2.gz PTORVHJQPOUXQH-UHFFFAOYSA-N 0 2 317.349 1.080 20 30 DDEDLN CCCN(CC1CCCCC1)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001363724175 887073508 /nfs/dbraw/zinc/07/35/08/887073508.db2.gz UNMOMIBAXVYFEV-UHFFFAOYSA-N 0 2 304.394 1.742 20 30 DDEDLN C[C@@]1(C2CC2)COCC[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001363861953 887417749 /nfs/dbraw/zinc/41/77/49/887417749.db2.gz YCICQHVUMGAJCM-INIZCTEOSA-N 0 2 313.361 1.307 20 30 DDEDLN C[C@@]1(C2CC2)COCC[N@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001363861953 887417753 /nfs/dbraw/zinc/41/77/53/887417753.db2.gz YCICQHVUMGAJCM-INIZCTEOSA-N 0 2 313.361 1.307 20 30 DDEDLN COc1ccc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)cc1SC ZINC001364564209 888933844 /nfs/dbraw/zinc/93/38/44/888933844.db2.gz SIOKICADOOBRRQ-UHFFFAOYSA-N 0 2 318.358 1.419 20 30 DDEDLN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)C(F)C(F)(F)F ZINC001386732852 891589601 /nfs/dbraw/zinc/58/96/01/891589601.db2.gz XCGXZCMVRUGKMB-IMTBSYHQSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@H](F)C(F)(F)F ZINC001386732852 891589607 /nfs/dbraw/zinc/58/96/07/891589607.db2.gz XCGXZCMVRUGKMB-IMTBSYHQSA-N 0 2 320.246 1.021 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2cccc3ccccc32)CCC1=O ZINC001250602449 894338471 /nfs/dbraw/zinc/33/84/71/894338471.db2.gz KQUMTVJLCMCOGW-ZDUSSCGKSA-N 0 2 314.366 1.943 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1cccc2ccccc21 ZINC001250625070 894342721 /nfs/dbraw/zinc/34/27/21/894342721.db2.gz ZFQGRUOXKQIDJO-ZDUSSCGKSA-N 0 2 318.354 1.573 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1cc(F)c(OC)cc1OC ZINC000416963474 529588646 /nfs/dbraw/zinc/58/86/46/529588646.db2.gz UZROPONXRKGFRF-MRVPVSSYSA-N 0 2 302.327 1.887 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@H]3CCC[C@@H]3C2)cc1C#N ZINC000155170830 290687274 /nfs/dbraw/zinc/68/72/74/290687274.db2.gz QYPQPPSKEWSHFP-NXEZZACHSA-N 0 2 303.387 1.841 20 30 DDEDLN CN(C)c1ncc(NS(=O)(=O)c2ccc(C#N)s2)cn1 ZINC000435491098 529812334 /nfs/dbraw/zinc/81/23/34/529812334.db2.gz KFCLYRLMIUKDLH-UHFFFAOYSA-N 0 2 309.376 1.277 20 30 DDEDLN CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)s2)c1 ZINC000435496299 529950454 /nfs/dbraw/zinc/95/04/54/529950454.db2.gz KCXWVCCWHQCIAV-UHFFFAOYSA-N 0 2 321.383 1.780 20 30 DDEDLN C#CCNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000044905962 352397070 /nfs/dbraw/zinc/39/70/70/352397070.db2.gz LXJZVQBMRYGVQO-UHFFFAOYSA-N 0 2 320.395 1.912 20 30 DDEDLN C[C@H](C#N)CN(C)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000084385079 353720898 /nfs/dbraw/zinc/72/08/98/353720898.db2.gz CMXIBZFJTJHKCV-SNVBAGLBSA-N 0 2 302.309 1.949 20 30 DDEDLN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC1N=NC(=O)O1 ZINC000588849686 354942506 /nfs/dbraw/zinc/94/25/06/354942506.db2.gz ZYXHIVAXFRVKOT-VIFPVBQESA-N 0 2 302.290 1.073 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)nc1 ZINC000589975564 355036038 /nfs/dbraw/zinc/03/60/38/355036038.db2.gz VTVZYAPXHPMAKS-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@@H](O)CC[C@@H]2C)cc1C#N ZINC000592935955 355745106 /nfs/dbraw/zinc/74/51/06/355745106.db2.gz ZJJPFWVZJMHEJW-WPRPVWTQSA-N 0 2 307.375 1.366 20 30 DDEDLN CC[C@@H](C#N)C(=O)N[C@H](C#N)c1cc(OC)c(OC)c(OC)c1 ZINC000593443830 355886603 /nfs/dbraw/zinc/88/66/03/355886603.db2.gz ISTKPKRIEOEIJT-CMPLNLGQSA-N 0 2 317.345 1.943 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1cc(C)sc1C(=O)OC ZINC000594697097 356288337 /nfs/dbraw/zinc/28/83/37/356288337.db2.gz NXLZYYNWNWQZFT-QMMMGPOBSA-N 0 2 302.377 1.887 20 30 DDEDLN N#C[C@@H]1CSCCN1C(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000597480406 357191712 /nfs/dbraw/zinc/19/17/12/357191712.db2.gz YOGCVTBGRZFPQR-LLVKDONJSA-N 0 2 316.342 1.111 20 30 DDEDLN CC[C@@H]1CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C[C@@H]1O ZINC000340822860 251229468 /nfs/dbraw/zinc/22/94/68/251229468.db2.gz PCOGUWCOQIFSTC-KCJUWKMLSA-N 0 2 307.375 1.224 20 30 DDEDLN CC(C)[C@@H]1C[C@@H](CC(=O)Nc2nc(C#N)c(C#N)[nH]2)CCO1 ZINC000272916936 210302782 /nfs/dbraw/zinc/30/27/82/210302782.db2.gz SLDXQOZUGLIYBM-GWCFXTLKSA-N 0 2 301.350 1.933 20 30 DDEDLN CC[C@@H]1CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C[C@@H](C)O1 ZINC000111644541 407413643 /nfs/dbraw/zinc/41/36/43/407413643.db2.gz UEMFKZIRJRTXGB-MWLCHTKSSA-N 0 2 321.402 1.608 20 30 DDEDLN N#CCCn1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000186658827 407732985 /nfs/dbraw/zinc/73/29/85/407732985.db2.gz KULKUMXQZNPEBA-UHFFFAOYSA-N 0 2 301.262 1.663 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cnn(CC3CC3)c2)cn1 ZINC000174769517 407988924 /nfs/dbraw/zinc/98/89/24/407988924.db2.gz GXWWAFGHLCMJLB-UHFFFAOYSA-N 0 2 303.347 1.361 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1cnn(CC2CC2)c1 ZINC000174768545 407989200 /nfs/dbraw/zinc/98/92/00/407989200.db2.gz REQWKSGGFQXZMF-UHFFFAOYSA-N 0 2 302.359 1.966 20 30 DDEDLN N#Cc1cc(CN2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)ccc1F ZINC000289372694 409255846 /nfs/dbraw/zinc/25/58/46/409255846.db2.gz PHXXMPYKMFASFX-CYBMUJFWSA-N 0 2 301.325 1.836 20 30 DDEDLN CCC(=O)N1CCC[C@@H](C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)C1 ZINC000331483621 409559721 /nfs/dbraw/zinc/55/97/21/409559721.db2.gz JTLLGWSVVCDSJN-LLVKDONJSA-N 0 2 315.377 1.746 20 30 DDEDLN COc1cc(O)cc(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000357086317 409862503 /nfs/dbraw/zinc/86/25/03/409862503.db2.gz UYCLUPHPCICRFF-UHFFFAOYSA-N 0 2 305.315 1.468 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2c[nH]nc2-c2ccccc2F)c1C#N ZINC000357256015 409952745 /nfs/dbraw/zinc/95/27/45/409952745.db2.gz KAEFLXAQWHDPDR-UHFFFAOYSA-N 0 2 310.292 2.371 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(C)n(C)n2)n1 ZINC000354688665 410022047 /nfs/dbraw/zinc/02/20/47/410022047.db2.gz VIKLBXCNKWJQKY-VIFPVBQESA-N 0 2 318.358 1.852 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cc(C)n(C)n2)n1 ZINC000354688665 410022050 /nfs/dbraw/zinc/02/20/50/410022050.db2.gz VIKLBXCNKWJQKY-VIFPVBQESA-N 0 2 318.358 1.852 20 30 DDEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccnn1C ZINC000340088772 410669969 /nfs/dbraw/zinc/66/99/69/410669969.db2.gz DCDWDKSUUTUDNG-UHFFFAOYSA-N 0 2 306.347 1.491 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C)[C@@H]2CO)cc1C#N ZINC000331262418 411047293 /nfs/dbraw/zinc/04/72/93/411047293.db2.gz DIHXNFNBXIRTRK-KWQFWETISA-N 0 2 307.375 1.224 20 30 DDEDLN CCCCCCCS(=O)(=O)Nc1ncc(C(N)=O)s1 ZINC000194788126 222183419 /nfs/dbraw/zinc/18/34/19/222183419.db2.gz YUEKHTDHXNINMV-UHFFFAOYSA-N 0 2 305.425 1.954 20 30 DDEDLN C#CCn1ccc(CN(CCOC)c2cccc(C(=O)[O-])[nH+]2)n1 ZINC000263429190 222308345 /nfs/dbraw/zinc/30/83/45/222308345.db2.gz SCMLJROTYMINMM-UHFFFAOYSA-N 0 2 314.345 1.263 20 30 DDEDLN C[S@@](=O)c1ccc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000438234234 420446886 /nfs/dbraw/zinc/44/68/86/420446886.db2.gz LAYXSXYJTKPIQF-JOCHJYFZSA-N 0 2 313.342 1.072 20 30 DDEDLN N#Cc1cccc(C=CC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000492820283 420676089 /nfs/dbraw/zinc/67/60/89/420676089.db2.gz AWNAXUMTUFNZCL-UZYOAWRESA-N 0 2 323.356 1.801 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CCCOC2)cc1C#N ZINC000517603735 421620793 /nfs/dbraw/zinc/62/07/93/421620793.db2.gz YMHXFZKFTNZLQY-SNVBAGLBSA-N 0 2 307.375 1.632 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCc3ccncc32)cc1C#N ZINC000543565359 421838568 /nfs/dbraw/zinc/83/85/68/421838568.db2.gz BAQBEOQMBXZOPI-UHFFFAOYSA-N 0 2 312.354 1.979 20 30 DDEDLN N#Cc1c[nH]c(C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000185969567 263395551 /nfs/dbraw/zinc/39/55/51/263395551.db2.gz BIBYRCOUKOYVJD-UHFFFAOYSA-N 0 2 322.328 1.513 20 30 DDEDLN CC[C@@](C)(CCO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000351646488 266390035 /nfs/dbraw/zinc/39/00/35/266390035.db2.gz FLHKBNFLUJHNKE-AWEZNQCLSA-N 0 2 309.391 1.662 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCOCC2)cc1C#N ZINC000345649420 272294961 /nfs/dbraw/zinc/29/49/61/272294961.db2.gz VHBYXNUTCYLIIR-SNVBAGLBSA-N 0 2 307.375 1.680 20 30 DDEDLN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1n[nH]c(=O)[nH]1 ZINC000338398288 301285775 /nfs/dbraw/zinc/28/57/75/301285775.db2.gz JIAKMBHJTMRTEZ-UHFFFAOYSA-N 0 2 315.720 1.707 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H]2COC3(CCOCC3)O2)c1 ZINC000271981844 304803601 /nfs/dbraw/zinc/80/36/01/304803601.db2.gz ZCJGKKOYOZBLEB-WJHGTXIHSA-N 0 2 322.317 1.641 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC[C@H]2CCOC2)cc1C#N ZINC000541527226 325800355 /nfs/dbraw/zinc/80/03/55/325800355.db2.gz ROYVDTUCMAWUOU-VIFPVBQESA-N 0 2 307.375 1.537 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cn4c(n3)CCC4)nc21 ZINC000572120028 337591664 /nfs/dbraw/zinc/59/16/64/337591664.db2.gz FHUDKDPKEDXHPP-JTQLQIEISA-N 0 2 306.329 1.899 20 30 DDEDLN C=C(C)[C@@H](CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1)OCC ZINC000412324942 526743779 /nfs/dbraw/zinc/74/37/79/526743779.db2.gz RJGBQXBTRRIIDL-VXGBXAGGSA-N 0 2 308.382 1.588 20 30 DDEDLN C[C@@](C#N)(CC(=O)[O-])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000819821810 598221237 /nfs/dbraw/zinc/22/12/37/598221237.db2.gz JVFMIEBYGPVWDS-KRWDZBQOSA-N 0 2 315.373 1.335 20 30 DDEDLN N#Cc1ccc(CNC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000739119203 599782108 /nfs/dbraw/zinc/78/21/08/599782108.db2.gz ZSPJCEIXKJQWOM-QGZVFWFLSA-N 0 2 323.352 1.590 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CSc1ccncc1 ZINC000122722936 696724654 /nfs/dbraw/zinc/72/46/54/696724654.db2.gz LPULBDXXFCTDCK-LLVKDONJSA-N 0 2 300.343 1.499 20 30 DDEDLN Cc1csc([C@H](C#N)C(=O)CC2(CS(C)(=O)=O)CC2)n1 ZINC000747105153 700055397 /nfs/dbraw/zinc/05/53/97/700055397.db2.gz NWRDTPRPBXSKTN-SNVBAGLBSA-N 0 2 312.416 1.843 20 30 DDEDLN O=C1NC(=O)C(=NNc2cc(Cl)cc(Cl)c2)C(=O)N1 ZINC000058899940 696307722 /nfs/dbraw/zinc/30/77/22/696307722.db2.gz UEEBVFYIRLPHTN-UHFFFAOYSA-N 0 2 301.089 1.968 20 30 DDEDLN Cc1cc(C#N)ccc1C(=O)Nc1nc(C2=S=CC=C2)n[nH]1 ZINC000747855413 700090146 /nfs/dbraw/zinc/09/01/46/700090146.db2.gz MSTYBNMMXQJIKX-UHFFFAOYSA-N 0 2 309.354 1.863 20 30 DDEDLN C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)C[C@H]1CCCO1 ZINC000183128331 697483766 /nfs/dbraw/zinc/48/37/66/697483766.db2.gz YREQQFYOPCAGJN-NWDGAFQWSA-N 0 2 310.375 1.898 20 30 DDEDLN N#Cc1cc(F)c(C(=O)NCCc2n[nH]c(=S)o2)c(F)c1 ZINC000773106333 697713837 /nfs/dbraw/zinc/71/38/37/697713837.db2.gz NJXCMTRKPCWANV-UHFFFAOYSA-N 0 2 310.285 1.481 20 30 DDEDLN C#CCn1cc(CNC(=O)c2c[nH]c3nc(C)ccc3c2=O)cn1 ZINC000788219447 699292374 /nfs/dbraw/zinc/29/23/74/699292374.db2.gz VIMUIUULOTVXNS-UHFFFAOYSA-N 0 2 321.340 1.404 20 30 DDEDLN N#C[C@@H](C(=O)[C@H]1CCCN(C(N)=O)C1)c1cnc2ccccc2n1 ZINC000792114677 699676382 /nfs/dbraw/zinc/67/63/82/699676382.db2.gz LCOGPPKMEVSKFC-NWDGAFQWSA-N 0 2 323.356 1.597 20 30 DDEDLN CC(C)N1CC[C@H]([NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O ZINC000736473411 699726343 /nfs/dbraw/zinc/72/63/43/699726343.db2.gz DXQOMTQLRJRLRF-UONOGXRCSA-N 0 2 301.346 1.283 20 30 DDEDLN C#CCOc1cc(F)ccc1NS(=O)(=O)c1c(C)cnn1C ZINC000795327751 699858903 /nfs/dbraw/zinc/85/89/03/699858903.db2.gz CGTQOIYOHYGLQM-UHFFFAOYSA-N 0 2 323.349 1.680 20 30 DDEDLN Cc1nn(C)c(C)c1OCC(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000758508606 700709490 /nfs/dbraw/zinc/70/94/90/700709490.db2.gz OAVZOKWTXOQSOQ-CYBMUJFWSA-N 0 2 313.361 1.699 20 30 DDEDLN CN1C(=O)CN(N=Cc2cc(Cl)cc(Cl)c2O)C1=O ZINC000768382901 701173260 /nfs/dbraw/zinc/17/32/60/701173260.db2.gz YOUCJZGLNMFJNI-UHFFFAOYSA-N 0 2 302.117 1.927 20 30 DDEDLN O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000811224285 701939166 /nfs/dbraw/zinc/93/91/66/701939166.db2.gz FTKLHJSNXWCITI-PHDIDXHHSA-N 0 2 324.196 1.414 20 30 DDEDLN O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000811224285 701939172 /nfs/dbraw/zinc/93/91/72/701939172.db2.gz FTKLHJSNXWCITI-PHDIDXHHSA-N 0 2 324.196 1.414 20 30 DDEDLN N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)CCc1nc[nH]n1 ZINC000845841007 703208237 /nfs/dbraw/zinc/20/82/37/703208237.db2.gz ISIXEZPXWZWXRG-CYBMUJFWSA-N 0 2 308.341 1.747 20 30 DDEDLN C=C[C@@H](C)ONC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000846541612 703293958 /nfs/dbraw/zinc/29/39/58/703293958.db2.gz JAIPGJCDKOYTDJ-SCZZXKLOSA-N 0 2 313.379 1.666 20 30 DDEDLN COCCN(C[C@H](O)C(F)(F)F)C(=O)C(F)C(F)(F)F ZINC000848261634 703533387 /nfs/dbraw/zinc/53/33/87/703533387.db2.gz NPSRDCCSVKPHGO-WDSKDSINSA-N 0 2 315.185 1.285 20 30 DDEDLN COCCN(C[C@H](O)C(F)(F)F)C(=O)[C@H](F)C(F)(F)F ZINC000848261634 703533388 /nfs/dbraw/zinc/53/33/88/703533388.db2.gz NPSRDCCSVKPHGO-WDSKDSINSA-N 0 2 315.185 1.285 20 30 DDEDLN C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000819835670 704177123 /nfs/dbraw/zinc/17/71/23/704177123.db2.gz WSNABMBADRYZHM-INIZCTEOSA-N 0 2 316.361 1.171 20 30 DDEDLN CCc1noc(NS(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000820801658 704332784 /nfs/dbraw/zinc/33/27/84/704332784.db2.gz YDYJXKCOWPRRSV-UHFFFAOYSA-N 0 2 312.738 1.958 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000873644379 704815124 /nfs/dbraw/zinc/81/51/24/704815124.db2.gz WXKOQFFIEBNHJX-UGFHNGPFSA-N 0 2 316.357 1.815 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000873644379 704815127 /nfs/dbraw/zinc/81/51/27/704815127.db2.gz WXKOQFFIEBNHJX-UGFHNGPFSA-N 0 2 316.357 1.815 20 30 DDEDLN CC(C)(C#N)CNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000860709516 705260496 /nfs/dbraw/zinc/26/04/96/705260496.db2.gz QEXJBRIRNBHGKU-UHFFFAOYSA-N 0 2 317.267 1.738 20 30 DDEDLN CCc1nn(C)cc1S(=O)(=O)Nc1cccc(CC#N)c1 ZINC000882737323 707767489 /nfs/dbraw/zinc/76/74/89/707767489.db2.gz IHIDVTOIVSZYBZ-UHFFFAOYSA-N 0 2 304.375 1.849 20 30 DDEDLN O=C(C[C@@H]1S/C(=N/CC2CC2)NC1=O)NCc1ccccc1 ZINC000887268129 709002922 /nfs/dbraw/zinc/00/29/22/709002922.db2.gz CMBIZYJRELBAIP-ZDUSSCGKSA-N 0 2 317.414 1.691 20 30 DDEDLN C[C@@]1(CS(=O)(=O)Nc2ccncc2C#N)CC1(Cl)Cl ZINC000903150622 711049197 /nfs/dbraw/zinc/04/91/97/711049197.db2.gz VMPPJMYAWRLZQD-JTQLQIEISA-N 0 2 320.201 1.701 20 30 DDEDLN N#C[C@]1(C(=O)NCCc2n[nH]c(=S)o2)CC2CCC1CC2 ZINC000907462568 712578258 /nfs/dbraw/zinc/57/82/58/712578258.db2.gz VSTWBZAHNISQBG-RPFQZYLTSA-N 0 2 306.391 1.737 20 30 DDEDLN C#CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000947333481 719125258 /nfs/dbraw/zinc/12/52/58/719125258.db2.gz FNXFQBQELPAINS-LSDHHAIUSA-N 0 2 314.433 1.364 20 30 DDEDLN C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000968925503 719875297 /nfs/dbraw/zinc/87/52/97/719875297.db2.gz FPWDPPLHBXCLGM-HZPDHXFCSA-N 0 2 316.449 1.992 20 30 DDEDLN C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001027469408 738323515 /nfs/dbraw/zinc/32/35/15/738323515.db2.gz ZRKICYPKNIKCCM-CABCVRRESA-N 0 2 300.406 1.002 20 30 DDEDLN Cc1[nH+]c[nH]c1CC(=O)NC1CN(Cc2ccc(C#N)s2)C1 ZINC001031313316 746527334 /nfs/dbraw/zinc/52/73/34/746527334.db2.gz IXHXOBRITDYYGD-UHFFFAOYSA-N 0 2 315.402 1.194 20 30 DDEDLN N#Cc1ccc(NC/C=C\CNC(=O)C(F)C(F)(F)F)cn1 ZINC001107560900 750139665 /nfs/dbraw/zinc/13/96/65/750139665.db2.gz DTJFHEPBGBGDTA-RFMOXSJOSA-N 0 2 316.258 1.938 20 30 DDEDLN N#Cc1ccc(NC/C=C\CNC(=O)[C@@H](F)C(F)(F)F)cn1 ZINC001107560900 750139667 /nfs/dbraw/zinc/13/96/67/750139667.db2.gz DTJFHEPBGBGDTA-RFMOXSJOSA-N 0 2 316.258 1.938 20 30 DDEDLN C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C2CC2)c1Cl ZINC001032499134 751093173 /nfs/dbraw/zinc/09/31/73/751093173.db2.gz NSTSXVOOGRQXOE-RYUDHWBXSA-N 0 2 318.808 1.863 20 30 DDEDLN C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(C2CC2)c1Cl ZINC001032499134 751093179 /nfs/dbraw/zinc/09/31/79/751093179.db2.gz NSTSXVOOGRQXOE-RYUDHWBXSA-N 0 2 318.808 1.863 20 30 DDEDLN C#CCCCC(=O)N(C)CCCN(C)C(=O)C(F)C(F)(F)F ZINC001067289708 761848830 /nfs/dbraw/zinc/84/88/30/761848830.db2.gz XWCPPOVZBXTCPX-GFCCVEGCSA-N 0 2 324.318 1.997 20 30 DDEDLN C#CCCCC(=O)N(C)CCCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001067289708 761848844 /nfs/dbraw/zinc/84/88/44/761848844.db2.gz XWCPPOVZBXTCPX-GFCCVEGCSA-N 0 2 324.318 1.997 20 30 DDEDLN C[C@@H](CNc1cnc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001108739760 762897168 /nfs/dbraw/zinc/89/71/68/762897168.db2.gz QSRMADXCYOSPBF-IMTBSYHQSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001108739760 762897176 /nfs/dbraw/zinc/89/71/76/762897176.db2.gz QSRMADXCYOSPBF-IMTBSYHQSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)nn1)NC(=O)C(F)C(F)(F)F ZINC001108739971 762898127 /nfs/dbraw/zinc/89/81/27/762898127.db2.gz WPVSXLLKRJZLQX-IMTBSYHQSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)nn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001108739971 762898135 /nfs/dbraw/zinc/89/81/35/762898135.db2.gz WPVSXLLKRJZLQX-IMTBSYHQSA-N 0 2 305.235 1.165 20 30 DDEDLN Cc1nc(NCCNC(=O)C(F)C(F)(F)F)ccc1C#N ZINC001094183041 775547257 /nfs/dbraw/zinc/54/72/57/775547257.db2.gz XMOFLHZHNZCTSG-SNVBAGLBSA-N 0 2 304.247 1.690 20 30 DDEDLN Cc1nc(NCCNC(=O)[C@@H](F)C(F)(F)F)ccc1C#N ZINC001094183041 775547267 /nfs/dbraw/zinc/54/72/67/775547267.db2.gz XMOFLHZHNZCTSG-SNVBAGLBSA-N 0 2 304.247 1.690 20 30 DDEDLN CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H](C#N)Cc1cccs1 ZINC001177908174 778779768 /nfs/dbraw/zinc/77/97/68/778779768.db2.gz JKATYFKWGISRQX-HSMVNMDESA-N 0 2 318.398 1.984 20 30 DDEDLN C=CC[N@@H+](CCc1ccccc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001118315950 781090762 /nfs/dbraw/zinc/09/07/62/781090762.db2.gz KXWRDJNLZJVKEQ-AWEZNQCLSA-N 0 2 323.414 1.602 20 30 DDEDLN C=CC[N@H+](CCc1ccccc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC001118315950 781090768 /nfs/dbraw/zinc/09/07/68/781090768.db2.gz KXWRDJNLZJVKEQ-AWEZNQCLSA-N 0 2 323.414 1.602 20 30 DDEDLN N#CC1CC(Oc2nc(I)cc(=O)[nH]2)C1 ZINC001228951278 844411516 /nfs/dbraw/zinc/41/15/16/844411516.db2.gz VFCMDWHEEZGNOC-UHFFFAOYSA-N 0 2 317.086 1.468 20 30 DDEDLN C=C(C)CCC(=O)N(CC[N@H+](C)Cc1n[nH]c(=O)[n-]1)C(C)C ZINC001284537728 841744863 /nfs/dbraw/zinc/74/48/63/841744863.db2.gz RHTDWTXOGLUJPL-UHFFFAOYSA-N 0 2 309.414 1.535 20 30 DDEDLN C=C(C)CCC(=O)N(CC[N@@H+](C)Cc1n[nH]c(=O)[n-]1)C(C)C ZINC001284537728 841744868 /nfs/dbraw/zinc/74/48/68/841744868.db2.gz RHTDWTXOGLUJPL-UHFFFAOYSA-N 0 2 309.414 1.535 20 30 DDEDLN C[C@@H](CNC(=O)CC(F)(F)F)NC(=O)C(F)C(F)(F)F ZINC001410385762 849179175 /nfs/dbraw/zinc/17/91/75/849179175.db2.gz MRXVEQNNJRWSFR-NJGYIYPDSA-N 0 2 312.185 1.460 20 30 DDEDLN C[C@@H](CNC(=O)CC(F)(F)F)NC(=O)[C@H](F)C(F)(F)F ZINC001410385762 849179178 /nfs/dbraw/zinc/17/91/78/849179178.db2.gz MRXVEQNNJRWSFR-NJGYIYPDSA-N 0 2 312.185 1.460 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)C(F)C(F)(F)F)CC1 ZINC001412288571 854408894 /nfs/dbraw/zinc/40/88/94/854408894.db2.gz NBWCNKOZVQSSLX-PSASIEDQSA-N 0 2 323.290 1.496 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001412288571 854408897 /nfs/dbraw/zinc/40/88/97/854408897.db2.gz NBWCNKOZVQSSLX-PSASIEDQSA-N 0 2 323.290 1.496 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1C[C@@H]2[C@H](C1)C2(C)C ZINC001121716192 858580699 /nfs/dbraw/zinc/58/06/99/858580699.db2.gz CELVHIHXIDVTEG-DTORHVGOSA-N 0 2 319.800 1.995 20 30 DDEDLN CCOC(=O)[C@@H](C#N)Nc1nc(-c2ccncc2)ccc1C#N ZINC001159326915 865228833 /nfs/dbraw/zinc/22/88/33/865228833.db2.gz QYXUOSXCYFIBBP-CQSZACIVSA-N 0 2 307.313 1.882 20 30 DDEDLN C=CCn1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)nn1 ZINC001162479809 867564907 /nfs/dbraw/zinc/56/49/07/867564907.db2.gz ABIMSWLXVUYXBQ-UHFFFAOYSA-N 0 2 303.278 1.008 20 30 DDEDLN N#Cc1ccnc(N2CCC(NC(=O)C(F)(F)F)CC2)c1F ZINC001166894323 870348254 /nfs/dbraw/zinc/34/82/54/870348254.db2.gz NYTMFQNFSGWNNI-UHFFFAOYSA-N 0 2 316.258 1.740 20 30 DDEDLN C#CCN(C(C)=O)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001358754373 880871293 /nfs/dbraw/zinc/87/12/93/880871293.db2.gz ZSQAUBSNUPOLCG-NSHDSACASA-N 0 2 308.275 1.360 20 30 DDEDLN C#CCN(C(C)=O)C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001358754373 880871307 /nfs/dbraw/zinc/87/13/07/880871307.db2.gz ZSQAUBSNUPOLCG-NSHDSACASA-N 0 2 308.275 1.360 20 30 DDEDLN C=CC(C)(C)C(=O)N(C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001358743689 880843022 /nfs/dbraw/zinc/84/30/22/880843022.db2.gz MIKMAALWAFZPEI-VIFPVBQESA-N 0 2 310.291 1.768 20 30 DDEDLN C=CC(C)(C)C(=O)N(C)C1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001358743689 880843030 /nfs/dbraw/zinc/84/30/30/880843030.db2.gz MIKMAALWAFZPEI-VIFPVBQESA-N 0 2 310.291 1.768 20 30 DDEDLN COC(=O)c1[nH]c(C)cc1NC(=O)c1[nH]c(=O)c(C#N)cc1C ZINC001362243427 883392691 /nfs/dbraw/zinc/39/26/91/883392691.db2.gz MYQXGJZCFIJDPI-UHFFFAOYSA-N 0 2 314.301 1.643 20 30 DDEDLN C#CC(C#C)Oc1[nH]c(=O)nc2nc3cc(C)c(C)cc3nc21 ZINC001228685323 883618676 /nfs/dbraw/zinc/61/86/76/883618676.db2.gz FFFVZHVPTKPTHT-UHFFFAOYSA-N 0 2 304.309 1.909 20 30 DDEDLN N#Cc1cc(Cl)c(C(=O)NCc2n[nH]c(=O)[nH]2)c(Cl)c1 ZINC001362425556 883781538 /nfs/dbraw/zinc/78/15/38/883781538.db2.gz MDBXLKHUBMLZDS-UHFFFAOYSA-N 0 2 312.116 1.619 20 30 DDEDLN Cn1c(=O)[nH]c(NCC(F)(F)c2ccccc2)c(C#N)c1=O ZINC001364560644 888928023 /nfs/dbraw/zinc/92/80/23/888928023.db2.gz KSTOWVHTMQSHAT-UHFFFAOYSA-N 0 2 306.272 1.149 20 30 DDEDLN N#Cc1cccc(NC(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)c1 ZINC001290034560 913352410 /nfs/dbraw/zinc/35/24/10/913352410.db2.gz HYGFWKMVWXCPTG-UHFFFAOYSA-N 0 2 321.296 1.390 20 30 DDEDLN COc1ccc(CO)c(NS(=O)(=O)c2ccccc2C#N)c1 ZINC001258283434 898128235 /nfs/dbraw/zinc/12/82/35/898128235.db2.gz VVCWEBJDCJXCFH-UHFFFAOYSA-N 0 2 318.354 1.860 20 30 DDEDLN COC(=O)CS(=O)(=O)Nc1cc(C#N)cc(C(F)(F)F)c1 ZINC001259026363 898425135 /nfs/dbraw/zinc/42/51/35/898425135.db2.gz QUPGMYYJQZJCHK-UHFFFAOYSA-N 0 2 322.264 1.492 20 30 DDEDLN CN(C)c1cccnc1NS(=O)(=O)c1cccc(C#N)c1 ZINC001259118355 898475529 /nfs/dbraw/zinc/47/55/29/898475529.db2.gz FXDCZFMWQNKLMR-UHFFFAOYSA-N 0 2 302.359 1.820 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2ccnn2C2COC2)c1 ZINC001259118658 898476065 /nfs/dbraw/zinc/47/60/65/898476065.db2.gz VLMXRPLTUFFTIA-UHFFFAOYSA-N 0 2 304.331 1.127 20 30 DDEDLN N#Cc1ccc(CN2CC(NC(=O)C(F)C(F)(F)F)C2)cc1 ZINC001391420683 901708605 /nfs/dbraw/zinc/70/86/05/901708605.db2.gz JXQXZKNTGAHXRE-LBPRGKRZSA-N 0 2 315.270 1.759 20 30 DDEDLN N#Cc1ccc(CN2CC(NC(=O)[C@H](F)C(F)(F)F)C2)cc1 ZINC001391420683 901708618 /nfs/dbraw/zinc/70/86/18/901708618.db2.gz JXQXZKNTGAHXRE-LBPRGKRZSA-N 0 2 315.270 1.759 20 30 DDEDLN C=CC(C)(C)C(=O)NCC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001297248002 916832114 /nfs/dbraw/zinc/83/21/14/916832114.db2.gz TXBKQAYQRQDYGG-VIFPVBQESA-N 0 2 310.291 1.674 20 30 DDEDLN C=CC(C)(C)C(=O)NCC1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001297248002 916832126 /nfs/dbraw/zinc/83/21/26/916832126.db2.gz TXBKQAYQRQDYGG-VIFPVBQESA-N 0 2 310.291 1.674 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)cc1C#N ZINC000332415843 295688912 /nfs/dbraw/zinc/68/89/12/295688912.db2.gz BTTMWSHKANULEP-NXEZZACHSA-N 0 2 307.375 1.270 20 30 DDEDLN CC[C@@]1(C)NC(=O)N(NC(=O)c2cc(C#N)ccc2Cl)C1=O ZINC000287215303 219385230 /nfs/dbraw/zinc/38/52/30/219385230.db2.gz RHUYQLUEIDTMSY-CQSZACIVSA-N 0 2 320.736 1.577 20 30 DDEDLN Cc1ccc(-c2nc(C)c(C(=O)NC3=NC(=O)CN3)s2)o1 ZINC000050222978 352564946 /nfs/dbraw/zinc/56/49/46/352564946.db2.gz PGRBMTWICKLHAD-UHFFFAOYSA-N 0 2 304.331 1.810 20 30 DDEDLN Cc1[nH]nc(C(=O)N2CCN(c3ccsc3C#N)CC2)c1O ZINC000597937513 357390114 /nfs/dbraw/zinc/39/01/14/357390114.db2.gz VNDUZFYZHPBFAI-UHFFFAOYSA-N 0 2 317.374 1.319 20 30 DDEDLN CCc1nn(C)cc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000619463608 364023656 /nfs/dbraw/zinc/02/36/56/364023656.db2.gz APRLWMSUJUPANT-UHFFFAOYSA-N 0 2 304.375 1.849 20 30 DDEDLN C=CCn1cc(CNc2cc(C(C)(C)C)[nH+]c(C(=O)[O-])n2)nn1 ZINC000563813896 335025080 /nfs/dbraw/zinc/02/50/80/335025080.db2.gz QQWGJSXNDARVIU-UHFFFAOYSA-N 0 2 316.365 1.284 20 30 DDEDLN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000026274437 248183095 /nfs/dbraw/zinc/18/30/95/248183095.db2.gz XIRWVBUTRYOZAI-SECBINFHSA-N 0 2 306.285 1.431 20 30 DDEDLN CC[C@H]1CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C[C@H]1O ZINC000340822858 251229375 /nfs/dbraw/zinc/22/93/75/251229375.db2.gz PCOGUWCOQIFSTC-GZMMTYOYSA-N 0 2 307.375 1.224 20 30 DDEDLN C=CCCOCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000129611101 407619142 /nfs/dbraw/zinc/61/91/42/407619142.db2.gz GEJUTJYXHJPTGT-UHFFFAOYSA-N 0 2 307.375 1.291 20 30 DDEDLN C#Cc1cccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 ZINC000131787471 407753130 /nfs/dbraw/zinc/75/31/30/407753130.db2.gz HQLARDBKJPPPPD-CQSZACIVSA-N 0 2 317.370 1.627 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)cc1 ZINC000117741020 407853852 /nfs/dbraw/zinc/85/38/52/407853852.db2.gz FTMLWKNMBIDJRE-UHFFFAOYSA-N 0 2 306.347 1.606 20 30 DDEDLN CN(C)c1cccc(NS(=O)(=O)c2ccc(C#N)nc2)n1 ZINC000181099566 407955608 /nfs/dbraw/zinc/95/56/08/407955608.db2.gz WKVRGPQVFWFVJQ-UHFFFAOYSA-N 0 2 303.347 1.215 20 30 DDEDLN C=CCNc1ncc(C(=O)NCC[NH+]2CCSCC2)s1 ZINC000269505009 408333208 /nfs/dbraw/zinc/33/32/08/408333208.db2.gz GJZBNOJTWANCCD-UHFFFAOYSA-N 0 2 312.464 1.520 20 30 DDEDLN COCCn1ccc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000158814518 408363327 /nfs/dbraw/zinc/36/33/27/408363327.db2.gz ZFRJHYGIKNKGIQ-UHFFFAOYSA-N 0 2 306.347 1.202 20 30 DDEDLN C=C[C@H](CO)NC(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000290646921 409474233 /nfs/dbraw/zinc/47/42/33/409474233.db2.gz QQXKUXRKXYTNNE-CYBMUJFWSA-N 0 2 315.373 1.978 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)c2cncnc2C)n1 ZINC000354692311 410021964 /nfs/dbraw/zinc/02/19/64/410021964.db2.gz ZUKJNVDGGYCZPJ-SECBINFHSA-N 0 2 316.342 1.908 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cncnc2C)n1 ZINC000354692311 410021970 /nfs/dbraw/zinc/02/19/70/410021970.db2.gz ZUKJNVDGGYCZPJ-SECBINFHSA-N 0 2 316.342 1.908 20 30 DDEDLN COCCn1cc(S(=O)(=O)Nc2ccc(C#N)c(F)c2)cn1 ZINC000357461520 410053682 /nfs/dbraw/zinc/05/36/82/410053682.db2.gz CSONCJZOFJNVIY-UHFFFAOYSA-N 0 2 324.337 1.341 20 30 DDEDLN [O-]/C(Cc1cn2ccsc2n1)=[NH+]/CCC1(O)CCOCC1 ZINC000329133160 410121447 /nfs/dbraw/zinc/12/14/47/410121447.db2.gz YVLPTXDDECNWDF-UHFFFAOYSA-N 0 2 309.391 1.826 20 30 DDEDLN Cc1nsc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)c1C#N ZINC000298598425 410309773 /nfs/dbraw/zinc/30/97/73/410309773.db2.gz JLLONYNUNBIIQV-UHFFFAOYSA-N 0 2 320.296 1.719 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cc(-c2cccnc2)on1 ZINC000359713140 410832732 /nfs/dbraw/zinc/83/27/32/410832732.db2.gz DVEDYRBKPKFOJJ-UHFFFAOYSA-N 0 2 320.312 2.461 20 30 DDEDLN Cc1cc(C(=O)N(C)CC(C)(C)C#N)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000353289950 410903737 /nfs/dbraw/zinc/90/37/37/410903737.db2.gz PRUIEEGYIIAAEK-UHFFFAOYSA-N 0 2 315.333 1.366 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCc2nccs2)cc1C#N ZINC000353425804 410976518 /nfs/dbraw/zinc/97/65/18/410976518.db2.gz UTZPKQVRTORZRF-UHFFFAOYSA-N 0 2 320.399 1.810 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2ncccc2O)cc1C#N ZINC000353545279 411057347 /nfs/dbraw/zinc/05/73/47/411057347.db2.gz LKERGRXLOVDWST-UHFFFAOYSA-N 0 2 302.315 1.734 20 30 DDEDLN N#Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000377552909 418712339 /nfs/dbraw/zinc/71/23/39/418712339.db2.gz KLCLLNMJWIXDLU-QGZVFWFLSA-N 0 2 312.417 1.472 20 30 DDEDLN COc1nn(C)cc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427286669 419630580 /nfs/dbraw/zinc/63/05/80/419630580.db2.gz BGPQDINIOSEIIB-UHFFFAOYSA-N 0 2 310.310 1.240 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc(-c3ccccn3)no2)[nH]c1C#N ZINC000431542724 229039136 /nfs/dbraw/zinc/03/91/36/229039136.db2.gz LFJPMVFCMQUDFL-UHFFFAOYSA-N 0 2 305.257 1.455 20 30 DDEDLN N#Cc1cc(Br)cnc1NCCCc1n[nH]c(=O)[nH]1 ZINC000450361854 421188457 /nfs/dbraw/zinc/18/84/57/421188457.db2.gz GPJYGMGYYKRBGO-UHFFFAOYSA-N 0 2 323.154 1.584 20 30 DDEDLN Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c(C)n1[C@@H]1CCOC1 ZINC000530262615 421590821 /nfs/dbraw/zinc/59/08/21/421590821.db2.gz VPXXQJSXKPZLDU-LLVKDONJSA-N 0 2 324.344 1.785 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cn(C)nc2C2CC2)cc1C#N ZINC000575429722 422297481 /nfs/dbraw/zinc/29/74/81/422297481.db2.gz QIDOGXUCDFZYLO-UHFFFAOYSA-N 0 2 317.374 1.673 20 30 DDEDLN N#Cc1ccc(CNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)cc1 ZINC000348750072 268072942 /nfs/dbraw/zinc/07/29/42/268072942.db2.gz MLKPVUVUTYKKHX-UHFFFAOYSA-N 0 2 320.308 1.832 20 30 DDEDLN N#Cc1ccc(Cl)c(C(=O)NCCCc2n[nH]c(=O)[nH]2)c1 ZINC000354336289 268095143 /nfs/dbraw/zinc/09/51/43/268095143.db2.gz NHHHJLRLCIMGED-UHFFFAOYSA-N 0 2 305.725 1.398 20 30 DDEDLN CC(C)Oc1ccc(NS(=O)(=O)c2cncc(C#N)c2)cn1 ZINC000357126400 269627572 /nfs/dbraw/zinc/62/75/72/269627572.db2.gz XJFZZHBQFOFMPS-UHFFFAOYSA-N 0 2 318.358 1.936 20 30 DDEDLN Cc1nc2n(n1)C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)CC2 ZINC000171252978 302680821 /nfs/dbraw/zinc/68/08/21/302680821.db2.gz OXFRYDAXSBPXSD-BXRZMRDGSA-N 0 2 301.306 1.634 20 30 DDEDLN N#Cc1c[nH]c(=O)n(CC(=O)c2ccc3c(c2)CCCC3)c1=O ZINC000576874373 308346087 /nfs/dbraw/zinc/34/60/87/308346087.db2.gz NPGBRVHHSWZDLI-UHFFFAOYSA-N 0 2 309.325 1.170 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1C[C@@]1(C)Br ZINC000528967585 340741011 /nfs/dbraw/zinc/74/10/11/340741011.db2.gz BQMGHGQPEDWVJZ-DNSOKLHBSA-N 0 2 310.151 1.485 20 30 DDEDLN C#CCn1ccc(CN(CCOC)C(=O)[C@H](F)C(F)(F)F)n1 ZINC000491126817 527189171 /nfs/dbraw/zinc/18/91/71/527189171.db2.gz SMRGSCVMUPGWOH-NSHDSACASA-N 0 2 321.274 1.392 20 30 DDEDLN C#CCn1ccc(CN(CCOC)C(=O)C(F)C(F)(F)F)n1 ZINC000491126817 527189177 /nfs/dbraw/zinc/18/91/77/527189177.db2.gz SMRGSCVMUPGWOH-NSHDSACASA-N 0 2 321.274 1.392 20 30 DDEDLN C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000819821814 598221215 /nfs/dbraw/zinc/22/12/15/598221215.db2.gz JVFMIEBYGPVWDS-QGZVFWFLSA-N 0 2 315.373 1.335 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736079913 600101181 /nfs/dbraw/zinc/10/11/81/600101181.db2.gz OPMIYDISDJWFGV-HNNXBMFYSA-N 0 2 316.357 1.576 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000736079913 600101183 /nfs/dbraw/zinc/10/11/83/600101183.db2.gz OPMIYDISDJWFGV-HNNXBMFYSA-N 0 2 316.357 1.576 20 30 DDEDLN COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000737581382 600561416 /nfs/dbraw/zinc/56/14/16/600561416.db2.gz SMSCDIQJBCQLFD-CQSZACIVSA-N 0 2 302.330 1.569 20 30 DDEDLN N#Cc1ccc([C@@H]([NH2+]CC(=O)NC2CCCCC2)C(=O)[O-])cc1 ZINC000739104969 600597161 /nfs/dbraw/zinc/59/71/61/600597161.db2.gz DYSWXEPWEASFBR-MRXNPFEDSA-N 0 2 315.373 1.722 20 30 DDEDLN Cc1[nH+]c(C(=O)[O-])cn1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000832996630 601639807 /nfs/dbraw/zinc/63/98/07/601639807.db2.gz ZXSHUWSSIXECBR-UHFFFAOYSA-N 0 2 309.285 1.860 20 30 DDEDLN CCN(CCCNc1[nH+]cnc2c1cnn2CCC#N)C(=O)[O-] ZINC000739421439 602483373 /nfs/dbraw/zinc/48/33/73/602483373.db2.gz NEFFIFXKCMDWST-UHFFFAOYSA-N 0 2 317.353 1.542 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000825353823 604600366 /nfs/dbraw/zinc/60/03/66/604600366.db2.gz XXZZFXYWJOTANQ-DOMZBBRYSA-N 0 2 319.361 1.294 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000825353823 604600367 /nfs/dbraw/zinc/60/03/67/604600367.db2.gz XXZZFXYWJOTANQ-DOMZBBRYSA-N 0 2 319.361 1.294 20 30 DDEDLN Clc1cc(-c2nn[nH]n2)cc(NN=Cc2cccnc2)n1 ZINC000826349938 608541307 /nfs/dbraw/zinc/54/13/07/608541307.db2.gz AHHWOKZKYDVGIV-UHFFFAOYSA-N 0 2 300.713 1.756 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cnn(CC#N)c2)cc1F ZINC000747407293 700068607 /nfs/dbraw/zinc/06/86/07/700068607.db2.gz PYYBYMKLXGVYJC-UHFFFAOYSA-N 0 2 310.310 1.355 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cn1ncc2ccccc21 ZINC000123341843 696730790 /nfs/dbraw/zinc/73/07/90/696730790.db2.gz SFWWTRHRQPWKRY-LBPRGKRZSA-N 0 2 307.313 1.362 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000133745392 696829628 /nfs/dbraw/zinc/82/96/28/696829628.db2.gz NMFVHNSQJXEEFX-UHFFFAOYSA-N 0 2 319.298 1.973 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@@H]1CSCCS1 ZINC000156227192 696960080 /nfs/dbraw/zinc/96/00/80/696960080.db2.gz OBOJZVNKBIKFCQ-ZJUUUORDSA-N 0 2 309.416 1.550 20 30 DDEDLN CC[C@H](C#N)OC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000175991429 697399675 /nfs/dbraw/zinc/39/96/75/697399675.db2.gz ULGSZZAHNFCADA-SECBINFHSA-N 0 2 303.343 1.681 20 30 DDEDLN C=CCOc1ccc(C(=O)NCCc2n[nH]c(=S)o2)cc1 ZINC000773089358 697711953 /nfs/dbraw/zinc/71/19/53/697711953.db2.gz XLALUGGRLZFESX-UHFFFAOYSA-N 0 2 305.359 1.896 20 30 DDEDLN N#Cc1ccccc1C=CC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000773649386 697790890 /nfs/dbraw/zinc/79/08/90/697790890.db2.gz KFWLXLCOTMMSJL-WBTMPAOCSA-N 0 2 323.356 1.801 20 30 DDEDLN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)C[C@H]1SC(=N)NC1=O ZINC000787841646 699248325 /nfs/dbraw/zinc/24/83/25/699248325.db2.gz APXVOYXCGHIHLJ-NWDGAFQWSA-N 0 2 314.370 1.218 20 30 DDEDLN C#CCCCS(=O)(=O)Nc1nc(CC(=O)OC)cs1 ZINC000710882723 699255222 /nfs/dbraw/zinc/25/52/22/699255222.db2.gz JMUKNULTKMCORQ-UHFFFAOYSA-N 0 2 302.377 1.014 20 30 DDEDLN Cn1ncc2c1nc(N=NC1CCC3(CCCO3)CC1)[nH]c2=O ZINC000788019960 699267598 /nfs/dbraw/zinc/26/75/98/699267598.db2.gz FXCIDILALSHJEA-UHFFFAOYSA-N 0 2 316.365 1.960 20 30 DDEDLN CO[C@@H]1CCC[C@H](CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000796774026 699952109 /nfs/dbraw/zinc/95/21/09/699952109.db2.gz GJMQQKIJCDXVII-YNEHKIRRSA-N 0 2 303.362 1.907 20 30 DDEDLN CC1CCC(OCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CC1 ZINC000796776135 699952074 /nfs/dbraw/zinc/95/20/74/699952074.db2.gz TUWMAOJIWAIIOG-BPCQOVAHSA-N 0 2 303.362 1.907 20 30 DDEDLN Cn1c(Cl)ncc1S(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000759705459 700767091 /nfs/dbraw/zinc/76/70/91/700767091.db2.gz JESBDGPLZNIHHM-UHFFFAOYSA-N 0 2 310.766 1.940 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2cccc3c2COC3=O)c1 ZINC000811703547 702028232 /nfs/dbraw/zinc/02/82/32/702028232.db2.gz VDKCTQOVVQQTOC-UHFFFAOYSA-N 0 2 315.310 1.424 20 30 DDEDLN C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCc1n[nH]c(=S)o1 ZINC000847752326 703461994 /nfs/dbraw/zinc/46/19/94/703461994.db2.gz ORFNCZJTOHGPEG-SNVBAGLBSA-N 0 2 316.386 1.767 20 30 DDEDLN CO[C@@H](C(=O)OC(C)(C)C)C(=O)C(C#N)c1nc(C)cs1 ZINC000870116691 703919151 /nfs/dbraw/zinc/91/91/51/703919151.db2.gz HNBVGMURTOHBOQ-GXSJLCMTSA-N 0 2 310.375 1.985 20 30 DDEDLN N#CC(C(=O)NC1CCCC1)=C([O-])c1[nH+]cc2n1CCCC2 ZINC000870157970 703937334 /nfs/dbraw/zinc/93/73/34/703937334.db2.gz VRJNGWXNMWXUDD-ZDUSSCGKSA-N 0 2 300.362 1.601 20 30 DDEDLN CCC1(CC)C(=O)NCCC1=NNc1cnnc(O)c1Cl ZINC000819803795 704175509 /nfs/dbraw/zinc/17/55/09/704175509.db2.gz XQSVNNDJGGIFQI-UHFFFAOYSA-N 0 2 311.773 1.930 20 30 DDEDLN O=C(NCC[S@](=O)CC(F)(F)F)C(F)C(F)(F)F ZINC000855267686 704476113 /nfs/dbraw/zinc/47/61/13/704476113.db2.gz DPCKKKLXHWHVDQ-IEBRQLKASA-N 0 2 303.199 1.314 20 30 DDEDLN O=C(NCC[S@](=O)CC(F)(F)F)[C@@H](F)C(F)(F)F ZINC000855267686 704476114 /nfs/dbraw/zinc/47/61/14/704476114.db2.gz DPCKKKLXHWHVDQ-IEBRQLKASA-N 0 2 303.199 1.314 20 30 DDEDLN CC1(C#N)CC[NH+](CC(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000833552101 707009148 /nfs/dbraw/zinc/00/91/48/707009148.db2.gz ZNWSAHSYJBPKJG-UHFFFAOYSA-N 0 2 307.394 1.516 20 30 DDEDLN C#CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC000947333473 719125503 /nfs/dbraw/zinc/12/55/03/719125503.db2.gz FNXFQBQELPAINS-CABCVRRESA-N 0 2 314.433 1.364 20 30 DDEDLN C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001027979763 738900882 /nfs/dbraw/zinc/90/08/82/738900882.db2.gz ABXOOSRZXWZUSU-LSDHHAIUSA-N 0 2 302.422 1.602 20 30 DDEDLN C#CCCCC(=O)NCC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001076297982 742651903 /nfs/dbraw/zinc/65/19/03/742651903.db2.gz SRULYGZZPQECON-LBPRGKRZSA-N 0 2 304.394 1.075 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)Cc2cc(F)cc(F)c2)cn1 ZINC001185085498 744151041 /nfs/dbraw/zinc/15/10/41/744151041.db2.gz ZPLJGQPIRYDLLB-UHFFFAOYSA-N 0 2 310.285 1.568 20 30 DDEDLN Cn1cnc(NS(=O)(=O)Cc2cc(F)cc(F)c2)c1C#N ZINC001185096674 744153455 /nfs/dbraw/zinc/15/34/55/744153455.db2.gz KZGKUXQGFKSIQL-UHFFFAOYSA-N 0 2 312.301 1.512 20 30 DDEDLN C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001120844076 744500278 /nfs/dbraw/zinc/50/02/78/744500278.db2.gz FARKNKJZHZXHJV-XVKPBYJWSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CN(C)C(=O)[C@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001120844076 744500281 /nfs/dbraw/zinc/50/02/81/744500281.db2.gz FARKNKJZHZXHJV-XVKPBYJWSA-N 0 2 319.262 1.507 20 30 DDEDLN C=CCC1(S(=O)(=O)Nc2cnc(C(=O)OCC)cn2)CC1 ZINC001190773315 745326520 /nfs/dbraw/zinc/32/65/20/745326520.db2.gz VNOQNFSOODXPJT-UHFFFAOYSA-N 0 2 311.363 1.504 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H]1C ZINC000993216311 745866873 /nfs/dbraw/zinc/86/68/73/745866873.db2.gz HDZVXKBMSHMGBY-WDEREUQCSA-N 0 2 312.801 1.759 20 30 DDEDLN C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H]1C ZINC000993216311 745866881 /nfs/dbraw/zinc/86/68/81/745866881.db2.gz HDZVXKBMSHMGBY-WDEREUQCSA-N 0 2 312.801 1.759 20 30 DDEDLN COC(=O)c1cc(F)c(NS(=O)(=O)[C@@H](C)C#N)c(C)c1F ZINC001193158044 746001241 /nfs/dbraw/zinc/00/12/41/746001241.db2.gz KXSXURSXAMGPDF-LURJTMIESA-N 0 2 318.301 1.714 20 30 DDEDLN C[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000993545566 746206854 /nfs/dbraw/zinc/20/68/54/746206854.db2.gz VYUBJWQVCCRUEO-DOMZBBRYSA-N 0 2 324.388 1.459 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H]1C ZINC000994270238 746556297 /nfs/dbraw/zinc/55/62/97/746556297.db2.gz QMLJCZWUWAXYJI-HIFRSBDPSA-N 0 2 300.406 1.364 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ncc(C#N)nc2C)c(C)c1 ZINC001198907946 747657964 /nfs/dbraw/zinc/65/79/64/747657964.db2.gz WCSXQGREMPJXMT-UHFFFAOYSA-N 0 2 318.358 1.775 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001108739596 762897482 /nfs/dbraw/zinc/89/74/82/762897482.db2.gz JMHNZAQNKMTQFN-OIBJUYFYSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001108739596 762897489 /nfs/dbraw/zinc/89/74/89/762897489.db2.gz JMHNZAQNKMTQFN-OIBJUYFYSA-N 0 2 304.247 1.770 20 30 DDEDLN CN(CCCNc1nccnc1C#N)C(=O)C(F)C(F)(F)F ZINC001109645712 763907921 /nfs/dbraw/zinc/90/79/21/763907921.db2.gz QJADOHHITOGVKT-SECBINFHSA-N 0 2 319.262 1.509 20 30 DDEDLN CN(CCCNc1nccnc1C#N)C(=O)[C@@H](F)C(F)(F)F ZINC001109645712 763907929 /nfs/dbraw/zinc/90/79/29/763907929.db2.gz QJADOHHITOGVKT-SECBINFHSA-N 0 2 319.262 1.509 20 30 DDEDLN N#Cc1ccc(N2CC[C@H](NC(=O)C(F)C(F)(F)F)C2)nc1 ZINC001096490566 770460345 /nfs/dbraw/zinc/46/03/45/770460345.db2.gz BNAWYCULKTZGJK-ONGXEEELSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1ccc(N2CC[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)nc1 ZINC001096490566 770460349 /nfs/dbraw/zinc/46/03/49/770460349.db2.gz BNAWYCULKTZGJK-ONGXEEELSA-N 0 2 316.258 1.549 20 30 DDEDLN C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001096963103 771532967 /nfs/dbraw/zinc/53/29/67/771532967.db2.gz SGIIJISBXVGKHA-MXWKQRLJSA-N 0 2 310.785 1.511 20 30 DDEDLN C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001096963103 771532968 /nfs/dbraw/zinc/53/29/68/771532968.db2.gz SGIIJISBXVGKHA-MXWKQRLJSA-N 0 2 310.785 1.511 20 30 DDEDLN N#Cc1cnc(N[C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)cn1 ZINC001097106764 771626490 /nfs/dbraw/zinc/62/64/90/771626490.db2.gz YKTDCOOJLXMUMA-BYULHYEWSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1cnc(N[C@H]2C[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)cn1 ZINC001097106764 771626493 /nfs/dbraw/zinc/62/64/93/771626493.db2.gz YKTDCOOJLXMUMA-BYULHYEWSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1cc(C(=O)N[C@@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)co1 ZINC001171154817 772458640 /nfs/dbraw/zinc/45/86/40/772458640.db2.gz USQHSRBCRWAKKT-ZDUSSCGKSA-N 0 2 323.312 1.689 20 30 DDEDLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001099742061 775211759 /nfs/dbraw/zinc/21/17/59/775211759.db2.gz GRIXAZHVKMXYAL-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001099742061 775211763 /nfs/dbraw/zinc/21/17/63/775211763.db2.gz GRIXAZHVKMXYAL-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN CN(CCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)nc1 ZINC001100366847 776059683 /nfs/dbraw/zinc/05/96/83/776059683.db2.gz KFNNVGHMXCSXOK-SNVBAGLBSA-N 0 2 304.247 1.406 20 30 DDEDLN CN(CCNC(=O)[C@@H](F)C(F)(F)F)c1ccc(C#N)nc1 ZINC001100366847 776059691 /nfs/dbraw/zinc/05/96/91/776059691.db2.gz KFNNVGHMXCSXOK-SNVBAGLBSA-N 0 2 304.247 1.406 20 30 DDEDLN C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034401916 848468295 /nfs/dbraw/zinc/46/82/95/848468295.db2.gz WXNRZOYAJNYCKZ-KGLIPLIRSA-N 0 2 302.422 1.986 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2cc(C#N)ccc2F)cn1 ZINC001190608431 851138349 /nfs/dbraw/zinc/13/83/49/851138349.db2.gz QCCQHWZMTDFCGA-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN C[C@@H]1C[C@H]1c1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)o1 ZINC001412875275 855747100 /nfs/dbraw/zinc/74/71/00/855747100.db2.gz SOTXCPJFRWAFFI-PSASIEDQSA-N 0 2 300.318 1.274 20 30 DDEDLN C=CCONC(=O)c1ccc2c(c1)[nH]c(=S)n(CC=C)c2=O ZINC001297985332 870230653 /nfs/dbraw/zinc/23/06/53/870230653.db2.gz PAFXTJUAAKIKRD-UHFFFAOYSA-N 0 2 317.370 1.719 20 30 DDEDLN Cc1ncsc1CCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC001345062336 873242615 /nfs/dbraw/zinc/24/26/15/873242615.db2.gz QTXWSXUONWHLGA-SNVBAGLBSA-N 0 2 302.359 1.709 20 30 DDEDLN O=C(C#CC1CC1)N[C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001353606809 877446046 /nfs/dbraw/zinc/44/60/46/877446046.db2.gz GQLXNHMRNWGUMI-FXPVBKGRSA-N 0 2 306.259 1.064 20 30 DDEDLN O=C(C#CC1CC1)N[C@H]1C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001353606809 877446059 /nfs/dbraw/zinc/44/60/59/877446059.db2.gz GQLXNHMRNWGUMI-FXPVBKGRSA-N 0 2 306.259 1.064 20 30 DDEDLN CC(C)(C)C#CC(=O)N[C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001353613442 877449674 /nfs/dbraw/zinc/44/96/74/877449674.db2.gz APZHDFJUXHBMGF-QXEWZRGKSA-N 0 2 322.302 1.700 20 30 DDEDLN CC(C)(C)C#CC(=O)N[C@H]1C[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001353613442 877449679 /nfs/dbraw/zinc/44/96/79/877449679.db2.gz APZHDFJUXHBMGF-QXEWZRGKSA-N 0 2 322.302 1.700 20 30 DDEDLN C#CCCCCC(=O)NCC1(NC(=O)C(F)C(F)(F)F)CC1 ZINC001358657334 880709051 /nfs/dbraw/zinc/70/90/51/880709051.db2.gz GEZMSCMAGMZQDB-NSHDSACASA-N 0 2 322.302 1.845 20 30 DDEDLN C#CCCCCC(=O)NCC1(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001358657334 880709058 /nfs/dbraw/zinc/70/90/58/880709058.db2.gz GEZMSCMAGMZQDB-NSHDSACASA-N 0 2 322.302 1.845 20 30 DDEDLN COC(=O)c1cc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)cn1C ZINC001362176907 883219788 /nfs/dbraw/zinc/21/97/88/883219788.db2.gz KLTZCCKLNLHUJK-UHFFFAOYSA-N 0 2 314.301 1.345 20 30 DDEDLN C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1nn(C)cc1O ZINC001363665987 886926838 /nfs/dbraw/zinc/92/68/38/886926838.db2.gz MNTXMYDMLVQSSF-SSDOTTSWSA-N 0 2 306.272 1.767 20 30 DDEDLN CCOC(=O)c1nnc([C@@H](C)[NH2+]Cc2csc(C#N)c2)[n-]1 ZINC001365604666 891145131 /nfs/dbraw/zinc/14/51/31/891145131.db2.gz FNPRVJZAOOUKRA-MRVPVSSYSA-N 0 2 305.363 1.765 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC001292716710 913954186 /nfs/dbraw/zinc/95/41/86/913954186.db2.gz ITCDMHJHNPLQDN-UHFFFAOYSA-N 0 2 324.296 1.665 20 30 DDEDLN COCCn1ncc(C)c1NS(=O)(=O)c1ccc(C#N)cc1 ZINC001258053786 898038651 /nfs/dbraw/zinc/03/86/51/898038651.db2.gz PAXVQXOLCFANHE-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN C[C@@H](O)c1ccnc(NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC001259119333 898478477 /nfs/dbraw/zinc/47/84/77/898478477.db2.gz UZPLDEZDIIJQCL-SNVBAGLBSA-N 0 2 303.343 1.807 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CCC1=O ZINC001259498542 898702661 /nfs/dbraw/zinc/70/26/61/898702661.db2.gz HZBYFQSJOUTLKC-ZETCQYMHSA-N 0 2 318.276 1.207 20 30 DDEDLN C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@@H](OC)C1 ZINC001263288129 900557274 /nfs/dbraw/zinc/55/72/74/900557274.db2.gz HEXDZNKETSFDEG-SECBINFHSA-N 0 2 323.788 1.518 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001282744199 906013733 /nfs/dbraw/zinc/01/37/33/906013733.db2.gz MHUOMKTZYSKSBQ-BMIGLBTASA-N 0 2 307.398 1.049 20 30 DDEDLN C=CCCC(=O)NC[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001284366967 908898070 /nfs/dbraw/zinc/89/80/70/908898070.db2.gz VVZZQXMRIYDOKX-MWLCHTKSSA-N 0 2 310.291 1.818 20 30 DDEDLN C=CCCC(=O)NC[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001284366967 908898083 /nfs/dbraw/zinc/89/80/83/908898083.db2.gz VVZZQXMRIYDOKX-MWLCHTKSSA-N 0 2 310.291 1.818 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC[C@H]1CCCNC(=O)c1[nH]ncc1F ZINC001295980340 916163574 /nfs/dbraw/zinc/16/35/74/916163574.db2.gz PDPCYUGYZYRZSG-GHMZBOCLSA-N 0 2 321.356 1.209 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc3c(c2)NC(=O)CS3)[nH]c1C#N ZINC000026276097 352207364 /nfs/dbraw/zinc/20/73/64/352207364.db2.gz IOEIRNYVYJSFFN-UHFFFAOYSA-N 0 2 324.325 1.450 20 30 DDEDLN N#C[C@]1(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC12CCCC2 ZINC000579009656 354714869 /nfs/dbraw/zinc/71/48/69/354714869.db2.gz DSVGYGRQVDRYHT-ZBEGNZNMSA-N 0 2 315.377 1.690 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCC2CSC2)cc1C#N ZINC000597793817 357332339 /nfs/dbraw/zinc/33/23/39/357332339.db2.gz JDXDCTHGAIEYCV-UHFFFAOYSA-N 0 2 309.416 1.864 20 30 DDEDLN C#CCCCCC(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000179811361 199083344 /nfs/dbraw/zinc/08/33/44/199083344.db2.gz FYMCUVKTXZPFPU-UHFFFAOYSA-N 0 2 302.381 1.042 20 30 DDEDLN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cnnn1C ZINC000600648720 358274957 /nfs/dbraw/zinc/27/49/57/358274957.db2.gz ORVMMEKGIHOFMC-UHFFFAOYSA-N 0 2 320.378 1.309 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)nc1 ZINC000610316386 360414735 /nfs/dbraw/zinc/41/47/35/360414735.db2.gz CEIQGSXPGBLOIK-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN C=CCS(=O)(=O)CCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000273849032 211113095 /nfs/dbraw/zinc/11/30/95/211113095.db2.gz KZDPVVDJIPIXPH-UHFFFAOYSA-N 0 2 305.302 1.001 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(N3CCCC3=O)cc2)[nH]c1C#N ZINC000026276230 406903397 /nfs/dbraw/zinc/90/33/97/406903397.db2.gz AYCMXSHMZDZYKR-UHFFFAOYSA-N 0 2 320.312 1.532 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)cc1 ZINC000172315933 162268995 /nfs/dbraw/zinc/26/89/95/162268995.db2.gz JMPLPQBPIMWDJN-UHFFFAOYSA-N 0 2 321.383 1.888 20 30 DDEDLN COCCn1cc(NS(=O)(=O)c2ccc(C#N)s2)cn1 ZINC000230337487 163347539 /nfs/dbraw/zinc/34/75/39/163347539.db2.gz DUHOVVXWIXIJFN-UHFFFAOYSA-N 0 2 312.376 1.263 20 30 DDEDLN Cc1[nH]ncc1CCCNS(=O)(=O)c1ccc(C#N)s1 ZINC000230339110 163347628 /nfs/dbraw/zinc/34/76/28/163347628.db2.gz UKTFDNDJPLVUTN-UHFFFAOYSA-N 0 2 310.404 1.562 20 30 DDEDLN C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000287432724 409036491 /nfs/dbraw/zinc/03/64/91/409036491.db2.gz FLFDQIQANOTWJL-QMMMGPOBSA-N 0 2 318.337 1.252 20 30 DDEDLN CO[C@@]1(C)C[C@@H](NS(=O)(=O)c2cncc(C#N)c2)C1(C)C ZINC000289457009 409276675 /nfs/dbraw/zinc/27/66/75/409276675.db2.gz LOXUZRGBSDYEBV-OCCSQVGLSA-N 0 2 309.391 1.435 20 30 DDEDLN CCc1nnc(CNS(=O)(=O)c2ccc(C#N)cc2C)s1 ZINC000289455262 409277092 /nfs/dbraw/zinc/27/70/92/409277092.db2.gz GJAWCPQYMLBAFH-UHFFFAOYSA-N 0 2 322.415 1.759 20 30 DDEDLN C=CCn1c(CCOc2ccccc2)n[n-]c1=[NH+]c1cnn(C)c1 ZINC000350650903 409977899 /nfs/dbraw/zinc/97/78/99/409977899.db2.gz AQJLVHOUNNIWOD-UHFFFAOYSA-N 0 2 324.388 2.563 20 30 DDEDLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000329081571 410092488 /nfs/dbraw/zinc/09/24/88/410092488.db2.gz DEUDTEYKQWRKDG-VIFPVBQESA-N 0 2 322.346 1.200 20 30 DDEDLN C=CC[NH+](CC=C)[C@H](CNC(=O)NCCn1cc[nH+]c1)C(C)C ZINC000298681794 410343975 /nfs/dbraw/zinc/34/39/75/410343975.db2.gz ZHZQGVFOKYOXNL-MRXNPFEDSA-N 0 2 319.453 1.881 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccncc2C)cc1C#N ZINC000337409777 410762064 /nfs/dbraw/zinc/76/20/64/410762064.db2.gz PVGLZSQQBUGTLQ-UHFFFAOYSA-N 0 2 300.343 1.758 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1 ZINC000131556903 196179263 /nfs/dbraw/zinc/17/92/63/196179263.db2.gz SXBWTKITEGHKFM-ZDUSSCGKSA-N 0 2 318.358 1.517 20 30 DDEDLN COc1cncc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)n1 ZINC000361193349 418601788 /nfs/dbraw/zinc/60/17/88/418601788.db2.gz CTRITIMOBFGEIY-SNVBAGLBSA-N 0 2 307.313 1.862 20 30 DDEDLN N#Cc1ncn(CCNC(=O)c2cc(F)cc(Cl)c2O)n1 ZINC000436721490 420360671 /nfs/dbraw/zinc/36/06/71/420360671.db2.gz ILABUEDKUGWZHB-UHFFFAOYSA-N 0 2 309.688 1.078 20 30 DDEDLN COc1cccc(C(F)(F)CNS(=O)(=O)[C@@H](C)C#N)n1 ZINC000416480898 420387862 /nfs/dbraw/zinc/38/78/62/420387862.db2.gz AZHDRFRDGZIVRO-QMMMGPOBSA-N 0 2 305.306 1.013 20 30 DDEDLN N#Cc1cccc(C=CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000492820281 420676452 /nfs/dbraw/zinc/67/64/52/420676452.db2.gz AWNAXUMTUFNZCL-LMVHVUTASA-N 0 2 323.356 1.801 20 30 DDEDLN N#Cc1nc(NC(=O)c2cnc(-c3cccnc3)s2)[nH]c1C#N ZINC000534183729 421685339 /nfs/dbraw/zinc/68/53/39/421685339.db2.gz JIYPWHDTQMKEJE-UHFFFAOYSA-N 0 2 321.325 1.924 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1ncc(C#N)s1 ZINC000613343980 422489088 /nfs/dbraw/zinc/48/90/88/422489088.db2.gz MQJAYPVRDHLMQZ-UHFFFAOYSA-N 0 2 320.355 1.696 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccnc(NC(=O)C3CC3)c2)[nH]c1C#N ZINC000351262449 269991753 /nfs/dbraw/zinc/99/17/53/269991753.db2.gz XZNGUEHJJPGGHT-UHFFFAOYSA-N 0 2 321.300 1.149 20 30 DDEDLN CCOc1ccc(C#N)cc1NC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000354368008 266334663 /nfs/dbraw/zinc/33/46/63/266334663.db2.gz SUKVNBMDLKMGRR-UHFFFAOYSA-N 0 2 302.294 1.102 20 30 DDEDLN COCCC1(CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000129772555 281357102 /nfs/dbraw/zinc/35/71/02/281357102.db2.gz XVKLLDBLKPKHNH-UHFFFAOYSA-N 0 2 321.402 1.515 20 30 DDEDLN C#C[C@H](NC(=O)CSc1n[nH]c(=O)[nH]1)c1ccc(F)cc1 ZINC000491750256 527382855 /nfs/dbraw/zinc/38/28/55/527382855.db2.gz HXYVVRQVIOOSJZ-JTQLQIEISA-N 0 2 306.322 1.232 20 30 DDEDLN C[C@@](C#N)(CC(=O)[O-])C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000819841578 597639465 /nfs/dbraw/zinc/63/94/65/597639465.db2.gz BIAYFMIQZKUVPX-INIZCTEOSA-N 0 2 301.346 1.123 20 30 DDEDLN c1cc2c(ncnc2N=NCc2ccc(-c3nn[nH]n3)o2)s1 ZINC000819718438 599333530 /nfs/dbraw/zinc/33/35/30/599333530.db2.gz GYIOUWWSJYGJGU-UHFFFAOYSA-N 0 2 312.318 1.910 20 30 DDEDLN CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000737078436 599781497 /nfs/dbraw/zinc/78/14/97/599781497.db2.gz LXGHSTURAOOTRU-SWLSCSKDSA-N 0 2 303.362 1.410 20 30 DDEDLN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000825996274 601441235 /nfs/dbraw/zinc/44/12/35/601441235.db2.gz XIAKWTSRZCBNKT-XHDPSFHLSA-N 0 2 311.357 1.216 20 30 DDEDLN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000825996274 601441236 /nfs/dbraw/zinc/44/12/36/601441236.db2.gz XIAKWTSRZCBNKT-XHDPSFHLSA-N 0 2 311.357 1.216 20 30 DDEDLN CN(C)C(=O)[C@@H]1CC[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)O1 ZINC000091515416 696588741 /nfs/dbraw/zinc/58/87/41/696588741.db2.gz MUFYCOVTPPNINO-UEYUTYSOSA-N 0 2 321.333 1.355 20 30 DDEDLN C=CCN1CC[C@H](N(C)C(=O)c2cccc(Cl)c2O)C1=O ZINC000799026616 700110471 /nfs/dbraw/zinc/11/04/71/700110471.db2.gz NKCVHOZYKWPJHM-LBPRGKRZSA-N 0 2 308.765 1.905 20 30 DDEDLN CC[C@@H](C#N)OC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000175991416 697399724 /nfs/dbraw/zinc/39/97/24/697399724.db2.gz ULGSZZAHNFCADA-VIFPVBQESA-N 0 2 303.343 1.681 20 30 DDEDLN Cc1nc2cc[nH]n2c(=O)c1CC(=O)OCC(C)(C)CCC#N ZINC000195070701 697729637 /nfs/dbraw/zinc/72/96/37/697729637.db2.gz BIENYHAXGRBSQM-UHFFFAOYSA-N 0 2 316.361 1.747 20 30 DDEDLN Cc1ccc(C/N=C/c2cc([N+](=O)[O-])ccc2O)c(=O)n1C ZINC000775230337 697973258 /nfs/dbraw/zinc/97/32/58/697973258.db2.gz FRLIAMGGPWOJOQ-CXUHLZMHSA-N 0 2 301.302 1.927 20 30 DDEDLN C=CCN(CCc1ccco1)C(=O)C[C@H]1SC(=N)NC1=O ZINC000779144209 698398871 /nfs/dbraw/zinc/39/88/71/698398871.db2.gz WBFLSSFUNKJEBO-LLVKDONJSA-N 0 2 307.375 1.393 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2CO[C@@H](C)C2)n1 ZINC000784497181 698942680 /nfs/dbraw/zinc/94/26/80/698942680.db2.gz DKSGPJBZMQYJIK-IVZWLZJFSA-N 0 2 308.359 1.921 20 30 DDEDLN C#CCn1cc(CNC(=O)c2cc(F)cc(Cl)c2O)cn1 ZINC000788228205 699293065 /nfs/dbraw/zinc/29/30/65/699293065.db2.gz XCJWPMPMTYINKQ-UHFFFAOYSA-N 0 2 307.712 1.944 20 30 DDEDLN Cn1cc[nH+]c1NN=Cc1ccc(OC(F)(F)C(=O)[O-])cc1 ZINC000790302665 699452913 /nfs/dbraw/zinc/45/29/13/699452913.db2.gz WOZKHQGVCDOXIV-UHFFFAOYSA-N 0 2 310.260 1.922 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2cc(F)c(F)cc2F)cn1 ZINC000729835950 699489323 /nfs/dbraw/zinc/48/93/23/699489323.db2.gz IXJSELVFEKJAFU-UHFFFAOYSA-N 0 2 316.264 1.625 20 30 DDEDLN C#C[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccc(F)cc1 ZINC000794897285 699834452 /nfs/dbraw/zinc/83/44/52/699834452.db2.gz WRPFOQPAYBOXRL-MNOVXSKESA-N 0 2 305.334 1.173 20 30 DDEDLN C=CCOc1ccccc1CNC(=O)C[C@@H]1SC(=N)NC1=O ZINC000742664931 699885547 /nfs/dbraw/zinc/88/55/47/699885547.db2.gz NISARCNAANQVRC-LBPRGKRZSA-N 0 2 319.386 1.424 20 30 DDEDLN C=CC[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccncc1 ZINC000742677942 699886185 /nfs/dbraw/zinc/88/61/85/699886185.db2.gz UEOMRHDKZVYZPH-MNOVXSKESA-N 0 2 304.375 1.371 20 30 DDEDLN C[C@@H](C#N)OCCOC(=O)c1nn(-c2ccccc2F)cc1O ZINC000801866936 700348368 /nfs/dbraw/zinc/34/83/68/700348368.db2.gz RYOLCDAAULDSQZ-JTQLQIEISA-N 0 2 319.292 1.802 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2cccc3nonc32)c1 ZINC000753021499 700402928 /nfs/dbraw/zinc/40/29/28/700402928.db2.gz WHUNKICTDPLVBW-UHFFFAOYSA-N 0 2 300.299 1.895 20 30 DDEDLN COc1nccnc1N=NC(C)c1cc([N+](=O)[O-])ccc1O ZINC000763413273 700937338 /nfs/dbraw/zinc/93/73/38/700937338.db2.gz SFUOIUBNQRENMC-UHFFFAOYSA-N 0 2 303.278 1.935 20 30 DDEDLN C[C@H](N1CCN(C(=O)C(F)C(F)(F)F)CC1)C(F)(F)F ZINC000764615151 700978866 /nfs/dbraw/zinc/97/88/66/700978866.db2.gz XRUQOHZPPNZOCT-NKWVEPMBSA-N 0 2 310.213 1.982 20 30 DDEDLN C[C@H](N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1)C(F)(F)F ZINC000764615151 700978867 /nfs/dbraw/zinc/97/88/67/700978867.db2.gz XRUQOHZPPNZOCT-NKWVEPMBSA-N 0 2 310.213 1.982 20 30 DDEDLN C[C@@H](NC(=O)OC(C)(C)C)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770863821 701298079 /nfs/dbraw/zinc/29/80/79/701298079.db2.gz VZCQAZSMVRAQTB-ZJUUUORDSA-N 0 2 320.349 1.225 20 30 DDEDLN C#CCCCS(=O)(=O)N[C@H](C1CC1)C(F)(F)C(=O)OCC ZINC000840950014 702290264 /nfs/dbraw/zinc/29/02/64/702290264.db2.gz IFDPSROIAMNQII-LLVKDONJSA-N 0 2 323.361 1.296 20 30 DDEDLN C=CCn1cc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])nn1 ZINC000818345827 702638791 /nfs/dbraw/zinc/63/87/91/702638791.db2.gz GFENAAOBACECGZ-LLVKDONJSA-N 0 2 316.361 1.807 20 30 DDEDLN CC(C)(C)n1nnc(C/N=C/c2cc([N+](=O)[O-])ccc2O)n1 ZINC000846755386 703327075 /nfs/dbraw/zinc/32/70/75/703327075.db2.gz AKXYQXGDWULITR-VGOFMYFVSA-N 0 2 304.310 1.661 20 30 DDEDLN C[C@@H](Oc1cccc(C=NNCCCn2cc[nH+]c2)c1)C(=O)[O-] ZINC000848418617 703548284 /nfs/dbraw/zinc/54/82/84/703548284.db2.gz QYUDHYQQVHJGJP-CYBMUJFWSA-N 0 2 316.361 1.749 20 30 DDEDLN C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000855170372 704472130 /nfs/dbraw/zinc/47/21/30/704472130.db2.gz PXLCNDZYFSTNOI-WCQYABFASA-N 0 2 315.377 1.322 20 30 DDEDLN C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000855170371 704472168 /nfs/dbraw/zinc/47/21/68/704472168.db2.gz PXLCNDZYFSTNOI-DGCLKSJQSA-N 0 2 315.377 1.322 20 30 DDEDLN C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000855170370 704472183 /nfs/dbraw/zinc/47/21/83/704472183.db2.gz PXLCNDZYFSTNOI-AAEUAGOBSA-N 0 2 315.377 1.322 20 30 DDEDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(Cc2nc(C#N)cs2)C1 ZINC000877776031 706206874 /nfs/dbraw/zinc/20/68/74/706206874.db2.gz WOVACAZHDWOWDZ-LLVKDONJSA-N 0 2 318.324 1.658 20 30 DDEDLN C#CC[C@H](COC)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000867569094 707042790 /nfs/dbraw/zinc/04/27/90/707042790.db2.gz UMNPJOYMHIYEGZ-SECBINFHSA-N 0 2 318.782 1.522 20 30 DDEDLN Cc1cc(O)c(C(=O)C=Cc2ccc(-n3cncn3)cc2)c(=O)o1 ZINC000884003430 708098323 /nfs/dbraw/zinc/09/83/23/708098323.db2.gz RZRGITSOQGXABD-HQQUCIOCSA-N 0 2 323.308 1.496 20 30 DDEDLN C#CCSCC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000887872966 709151257 /nfs/dbraw/zinc/15/12/57/709151257.db2.gz AHFBITBQWFQDJD-UHFFFAOYSA-N 0 2 307.400 1.722 20 30 DDEDLN C=CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC000959970686 716374341 /nfs/dbraw/zinc/37/43/41/716374341.db2.gz BZRDVBCBDNDEMW-KOZAUXTDSA-N 0 2 315.421 1.022 20 30 DDEDLN C=CC(C)(C)C(=O)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001011240148 734979599 /nfs/dbraw/zinc/97/95/99/734979599.db2.gz OZCGHGPFPVKERQ-VIFPVBQESA-N 0 2 310.291 1.770 20 30 DDEDLN C=CC(C)(C)C(=O)N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001011240148 734979601 /nfs/dbraw/zinc/97/96/01/734979601.db2.gz OZCGHGPFPVKERQ-VIFPVBQESA-N 0 2 310.291 1.770 20 30 DDEDLN C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001024395618 735801693 /nfs/dbraw/zinc/80/16/93/735801693.db2.gz CMXXWMRGBCNOMF-LLVKDONJSA-N 0 2 312.801 1.761 20 30 DDEDLN C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001024395618 735801699 /nfs/dbraw/zinc/80/16/99/735801699.db2.gz CMXXWMRGBCNOMF-LLVKDONJSA-N 0 2 312.801 1.761 20 30 DDEDLN C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001087312212 736041954 /nfs/dbraw/zinc/04/19/54/736041954.db2.gz AWIGGGWZSYOTFU-OIISXLGYSA-N 0 2 314.433 1.201 20 30 DDEDLN CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001009203327 738136748 /nfs/dbraw/zinc/13/67/48/738136748.db2.gz MIAGHPBATOZJIG-LLVKDONJSA-N 0 2 314.345 1.146 20 30 DDEDLN CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001009203327 738136750 /nfs/dbraw/zinc/13/67/50/738136750.db2.gz MIAGHPBATOZJIG-LLVKDONJSA-N 0 2 314.345 1.146 20 30 DDEDLN Cc1nc(N(C)CCNC(=O)C(F)C(F)(F)F)ccc1C#N ZINC001100366743 739151169 /nfs/dbraw/zinc/15/11/69/739151169.db2.gz GXXFWYBYKBIFSD-NSHDSACASA-N 0 2 318.274 1.715 20 30 DDEDLN Cc1nc(N(C)CCNC(=O)[C@H](F)C(F)(F)F)ccc1C#N ZINC001100366743 739151172 /nfs/dbraw/zinc/15/11/72/739151172.db2.gz GXXFWYBYKBIFSD-NSHDSACASA-N 0 2 318.274 1.715 20 30 DDEDLN CN(CCN(C)c1ccncc1C#N)C(=O)C(F)C(F)(F)F ZINC001105588999 742131468 /nfs/dbraw/zinc/13/14/68/742131468.db2.gz FSAFXTPQDPJFNI-LLVKDONJSA-N 0 2 318.274 1.748 20 30 DDEDLN CN(CCN(C)c1ccncc1C#N)C(=O)[C@@H](F)C(F)(F)F ZINC001105588999 742131470 /nfs/dbraw/zinc/13/14/70/742131470.db2.gz FSAFXTPQDPJFNI-LLVKDONJSA-N 0 2 318.274 1.748 20 30 DDEDLN C[C@H](C#N)C(=O)NC1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC001063306314 754079693 /nfs/dbraw/zinc/07/96/93/754079693.db2.gz WHURFMPSLRLULQ-SFYZADRCSA-N 0 2 309.263 1.202 20 30 DDEDLN C[C@H](C#N)C(=O)NC1(CNC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001063306314 754079697 /nfs/dbraw/zinc/07/96/97/754079697.db2.gz WHURFMPSLRLULQ-SFYZADRCSA-N 0 2 309.263 1.202 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1cc2ccccc2s1 ZINC001185475805 744232519 /nfs/dbraw/zinc/23/25/19/744232519.db2.gz AHMVZZSNBALXKC-JTQLQIEISA-N 0 2 324.383 1.635 20 30 DDEDLN N#C[C@@H]1CN(C(=O)Nc2cccc3nsnc32)CCC1=O ZINC001190292472 745179462 /nfs/dbraw/zinc/17/94/62/745179462.db2.gz APRHEQPTJDMTAF-MRVPVSSYSA-N 0 2 301.331 1.638 20 30 DDEDLN C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001106602716 745830605 /nfs/dbraw/zinc/83/06/05/745830605.db2.gz AOJZQYZQSPYXEA-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001106602716 745830610 /nfs/dbraw/zinc/83/06/10/745830610.db2.gz AOJZQYZQSPYXEA-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ccnc(C#N)c2)c1 ZINC001193641375 746158374 /nfs/dbraw/zinc/15/83/74/746158374.db2.gz YDKVTDKYRACBOR-UHFFFAOYSA-N 0 2 314.326 1.056 20 30 DDEDLN CCOC(=O)c1nc(NC(=O)c2ccc(C#N)cc2O)c[nH]1 ZINC001195741211 746696895 /nfs/dbraw/zinc/69/68/95/746696895.db2.gz QRMGHFQGUPFTKQ-UHFFFAOYSA-N 0 2 300.274 1.416 20 30 DDEDLN C#CC[N@H+]1C[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC[C@H]1C ZINC001071990651 770398662 /nfs/dbraw/zinc/39/86/62/770398662.db2.gz BMUIYDBZOZRXCG-GHMZBOCLSA-N 0 2 314.345 1.144 20 30 DDEDLN C#CC[N@@H+]1C[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC[C@H]1C ZINC001071990651 770398676 /nfs/dbraw/zinc/39/86/76/770398676.db2.gz BMUIYDBZOZRXCG-GHMZBOCLSA-N 0 2 314.345 1.144 20 30 DDEDLN N#CCc1ccccc1CC(=O)NCCc1n[nH]c(=S)o1 ZINC001154901282 861551431 /nfs/dbraw/zinc/55/14/31/861551431.db2.gz XDVYLMVUZZIIHN-UHFFFAOYSA-N 0 2 302.359 1.326 20 30 DDEDLN COC(=O)CN(CCC(F)(F)F)C(=O)C(F)C(F)(F)F ZINC001361465569 881706739 /nfs/dbraw/zinc/70/67/39/881706739.db2.gz RCQWPIBDFVMDDI-LURJTMIESA-N 0 2 313.169 1.841 20 30 DDEDLN COC(=O)CN(CCC(F)(F)F)C(=O)[C@H](F)C(F)(F)F ZINC001361465569 881706748 /nfs/dbraw/zinc/70/67/48/881706748.db2.gz RCQWPIBDFVMDDI-LURJTMIESA-N 0 2 313.169 1.841 20 30 DDEDLN C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001381527139 882079951 /nfs/dbraw/zinc/07/99/51/882079951.db2.gz ADUIRDYVKATTAQ-FNCVBFRFSA-N 0 2 309.263 1.057 20 30 DDEDLN C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001381527139 882079931 /nfs/dbraw/zinc/07/99/31/882079931.db2.gz ADUIRDYVKATTAQ-FNCVBFRFSA-N 0 2 309.263 1.057 20 30 DDEDLN CCN(Cc1c[nH]c2ccccc12)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001163062453 868048753 /nfs/dbraw/zinc/04/87/53/868048753.db2.gz XDWHDHGVWZHVGB-UHFFFAOYSA-N 0 2 323.356 1.453 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@@H](OC)C1 ZINC001340592658 871218115 /nfs/dbraw/zinc/21/81/15/871218115.db2.gz AMJSFUKDMSUWNY-MRVPVSSYSA-N 0 2 309.761 1.128 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@H](CF)C1 ZINC001340732161 871315545 /nfs/dbraw/zinc/31/55/45/871315545.db2.gz CGQZQVPLCQVEFN-MRVPVSSYSA-N 0 2 311.752 1.698 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N(C)C[C@H]1CCCO1 ZINC001342414854 872198421 /nfs/dbraw/zinc/19/84/21/872198421.db2.gz PYWYYIGDYPXRQO-SECBINFHSA-N 0 2 323.788 1.518 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc2c(c1)CCC2 ZINC001472748211 878101162 /nfs/dbraw/zinc/10/11/62/878101162.db2.gz STFKSGHNQQPOMN-SNVBAGLBSA-N 0 2 310.357 1.607 20 30 DDEDLN N#CCc1ccsc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001362384733 883689274 /nfs/dbraw/zinc/68/92/74/883689274.db2.gz KHZKATIWKUVYGK-SNVBAGLBSA-N 0 2 317.374 1.658 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC001362486271 883919079 /nfs/dbraw/zinc/91/90/79/883919079.db2.gz VSPNPVIVDMQXKS-CQSZACIVSA-N 0 2 324.340 1.656 20 30 DDEDLN CC(C)C[C@H]1COCC[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001364344345 888426267 /nfs/dbraw/zinc/42/62/67/888426267.db2.gz HMEWNGSBOXTPHS-AWEZNQCLSA-N 0 2 315.377 1.553 20 30 DDEDLN CC(C)C[C@H]1COCC[N@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001364344345 888426275 /nfs/dbraw/zinc/42/62/75/888426275.db2.gz HMEWNGSBOXTPHS-AWEZNQCLSA-N 0 2 315.377 1.553 20 30 DDEDLN CC[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@H](C)O1 ZINC001365269901 890472607 /nfs/dbraw/zinc/47/26/07/890472607.db2.gz IOPWOGGMCMHMHC-GWCFXTLKSA-N 0 2 301.350 1.306 20 30 DDEDLN CC[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@H](C)O1 ZINC001365269901 890472618 /nfs/dbraw/zinc/47/26/18/890472618.db2.gz IOPWOGGMCMHMHC-GWCFXTLKSA-N 0 2 301.350 1.306 20 30 DDEDLN C[C@@H](C#N)C(=O)NCCN(C)C(=O)c1c(Cl)[nH]nc1C1CC1 ZINC001388039514 894426805 /nfs/dbraw/zinc/42/68/05/894426805.db2.gz IVUUSOVLXYFVIJ-QMMMGPOBSA-N 0 2 323.784 1.288 20 30 DDEDLN CCN(C)c1ncc(NS(=O)(=O)c2ccccc2C#N)cn1 ZINC001258214644 898111609 /nfs/dbraw/zinc/11/16/09/898111609.db2.gz LNRANQNZIPZNPV-UHFFFAOYSA-N 0 2 317.374 1.605 20 30 DDEDLN COc1cc(OC)c(NS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC001259118604 898475748 /nfs/dbraw/zinc/47/57/48/898475748.db2.gz MDDGFZOOIXYJIN-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN N#Cc1ccnc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC001259376962 898640590 /nfs/dbraw/zinc/64/05/90/898640590.db2.gz FIMCWUSNVWOJLM-UHFFFAOYSA-N 0 2 316.298 1.601 20 30 DDEDLN Cn1cc(S(=O)(=O)Nc2ccc(C#N)c3ncccc23)cn1 ZINC001259827498 898837956 /nfs/dbraw/zinc/83/79/56/898837956.db2.gz BSPKCCHQMSGFJO-UHFFFAOYSA-N 0 2 313.342 1.641 20 30 DDEDLN C#CCN(CC#CC)c1nnc(-c2n[nH]c(Cl)n2)n1CC ZINC001263013131 900468575 /nfs/dbraw/zinc/46/85/75/900468575.db2.gz JMAPGXNUEYXNGX-UHFFFAOYSA-N 0 2 303.757 1.199 20 30 DDEDLN O=C(NC1=NC(=O)CN1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000050222501 352564163 /nfs/dbraw/zinc/56/41/63/352564163.db2.gz FPCJLVZDNKPTFV-UHFFFAOYSA-N 0 2 304.287 1.600 20 30 DDEDLN COC(=O)CCCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000070882593 353184589 /nfs/dbraw/zinc/18/45/89/353184589.db2.gz RRLHKBUDHDGZFA-UHFFFAOYSA-N 0 2 323.374 1.454 20 30 DDEDLN CC[C@H]1CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CCO1 ZINC000073912920 353277904 /nfs/dbraw/zinc/27/79/04/353277904.db2.gz QMRITKWFEHSXRD-JTQLQIEISA-N 0 2 307.375 1.632 20 30 DDEDLN Cc1nc(NS(=O)(=O)Cc2ccc(CC#N)cc2)nn1C ZINC000582002835 354739375 /nfs/dbraw/zinc/73/93/75/354739375.db2.gz ICGSPZQCZMDHKX-UHFFFAOYSA-N 0 2 305.363 1.132 20 30 DDEDLN C=CCCn1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)nn1 ZINC000593958944 356072809 /nfs/dbraw/zinc/07/28/09/356072809.db2.gz MZEIBHVFSYSLMX-QGZVFWFLSA-N 0 2 318.469 1.066 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N([C@H](C)C#N)C2CC2)cc1C#N ZINC000598124916 357467891 /nfs/dbraw/zinc/46/78/91/357467891.db2.gz CGOWHGSZPSARTP-MRVPVSSYSA-N 0 2 302.359 1.897 20 30 DDEDLN Cc1ccc(C(=O)NCC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1C ZINC000026270978 248185448 /nfs/dbraw/zinc/18/54/48/248185448.db2.gz BFXFQASFBJQONC-UHFFFAOYSA-N 0 2 322.328 1.138 20 30 DDEDLN COCCc1nsc(NCc2ccc(C#N)c(OC)c2)n1 ZINC000340558208 251112822 /nfs/dbraw/zinc/11/28/22/251112822.db2.gz WYLKWZNZYAPQLE-UHFFFAOYSA-N 0 2 304.375 1.641 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCO[C@@H]2C2CC2)cc1C#N ZINC000340785011 251210172 /nfs/dbraw/zinc/21/01/72/251210172.db2.gz ZTNRBUCBOFFCOM-VXGBXAGGSA-N 0 2 319.386 1.678 20 30 DDEDLN C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)NC(=O)c1ccccc1 ZINC000026268225 406903317 /nfs/dbraw/zinc/90/33/17/406903317.db2.gz PZHRXRUVCIPRHS-SNVBAGLBSA-N 0 2 322.328 1.300 20 30 DDEDLN CNC(=O)CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000101540823 407310997 /nfs/dbraw/zinc/31/09/97/407310997.db2.gz FGKSFIJVFVFZFA-UHFFFAOYSA-N 0 2 304.394 1.055 20 30 DDEDLN COC(=O)c1sccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000164973111 162157222 /nfs/dbraw/zinc/15/72/22/162157222.db2.gz MQSZFMQRLVNBTH-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@]23CCOC3)cc1C#N ZINC000357364653 409993177 /nfs/dbraw/zinc/99/31/77/409993177.db2.gz KGMKJNPWZCRPSW-HNNXBMFYSA-N 0 2 319.386 1.776 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)CC2(O)CCC2)cc1C#N ZINC000332447447 410164163 /nfs/dbraw/zinc/16/41/63/410164163.db2.gz FFVYRVDHVLZCTK-UHFFFAOYSA-N 0 2 307.375 1.368 20 30 DDEDLN O=C(C[C@H]1S/C(=N\Cc2ccc(F)cc2)NC1=O)NC1CC1 ZINC000298306617 410172578 /nfs/dbraw/zinc/17/25/78/410172578.db2.gz MASRTOCOYIEUPQ-GFCCVEGCSA-N 0 2 321.377 1.582 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1nc2n(n1)CCCC2 ZINC000333030563 410319110 /nfs/dbraw/zinc/31/91/10/410319110.db2.gz BSCPEHWVFLRZSH-UHFFFAOYSA-N 0 2 317.374 1.595 20 30 DDEDLN C=C(C)COCCNC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000355663902 410628651 /nfs/dbraw/zinc/62/86/51/410628651.db2.gz DUIHNGWOQIZKHP-UHFFFAOYSA-N 0 2 303.318 1.352 20 30 DDEDLN CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000359794765 410884741 /nfs/dbraw/zinc/88/47/41/410884741.db2.gz CHOOSGGHHLFTHE-CYBMUJFWSA-N 0 2 315.333 1.102 20 30 DDEDLN C=CC[N@@H+](Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000652399553 423001401 /nfs/dbraw/zinc/00/14/01/423001401.db2.gz QPJXYJOHPAIJOZ-CQSZACIVSA-N 0 2 309.387 1.560 20 30 DDEDLN C=CC[N@H+](Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000652399553 423001407 /nfs/dbraw/zinc/00/14/07/423001407.db2.gz QPJXYJOHPAIJOZ-CQSZACIVSA-N 0 2 309.387 1.560 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCO[C@H]3CCC[C@H]32)cc1C#N ZINC000408251228 418794695 /nfs/dbraw/zinc/79/46/95/418794695.db2.gz XUPGWWSFCUHNLX-NEPJUHHUSA-N 0 2 319.386 1.774 20 30 DDEDLN N#Cc1cccc(C2(C(=O)NCCCc3n[nH]c(=O)[nH]3)CC2)c1 ZINC000435589018 229398479 /nfs/dbraw/zinc/39/84/79/229398479.db2.gz PQVODHGABMTZPH-UHFFFAOYSA-N 0 2 311.345 1.163 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)ccc1C#N ZINC000435719569 420279474 /nfs/dbraw/zinc/27/94/74/420279474.db2.gz NYBCXOSOERDJGP-UHFFFAOYSA-N 0 2 313.342 1.939 20 30 DDEDLN CC#CC[NH2+]Cc1cn(Cc2nc(=O)c3sccc3[n-]2)nn1 ZINC000640812645 423206569 /nfs/dbraw/zinc/20/65/69/423206569.db2.gz OCGNAMOBWULTKI-UHFFFAOYSA-N 0 2 314.374 1.150 20 30 DDEDLN CCC[C@@H](CCO)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000359546179 266066613 /nfs/dbraw/zinc/06/66/13/266066613.db2.gz TZFUOONLGHHBGB-JTQLQIEISA-N 0 2 323.418 1.909 20 30 DDEDLN N#Cc1ccc2c(c1)N(C(=O)CSc1n[nH]c(=O)[nH]1)CC2 ZINC000355260431 268221500 /nfs/dbraw/zinc/22/15/00/268221500.db2.gz YGFYLILPKDJJJQ-UHFFFAOYSA-N 0 2 301.331 1.063 20 30 DDEDLN Cc1cc(C#N)cnc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000577282625 308376733 /nfs/dbraw/zinc/37/67/33/308376733.db2.gz PSEWXPNSYWPPQO-UHFFFAOYSA-N 0 2 312.333 1.105 20 30 DDEDLN COCc1noc(Cn2[nH]c(C(C)(C)C)c(CCC#N)c2=O)n1 ZINC000179690618 333154545 /nfs/dbraw/zinc/15/45/45/333154545.db2.gz OQQATDWBCUGKRV-UHFFFAOYSA-N 0 2 319.365 1.920 20 30 DDEDLN COc1cncc(S(=O)(=O)Nc2cc(CC#N)ccn2)c1 ZINC000532897766 337131853 /nfs/dbraw/zinc/13/18/53/337131853.db2.gz NUHYUSWGHWBTMD-UHFFFAOYSA-N 0 2 304.331 1.352 20 30 DDEDLN CC[N@H+](CC(=O)[O-])CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000829628516 601305753 /nfs/dbraw/zinc/30/57/53/601305753.db2.gz DSPWWKIOBBVHNY-UHFFFAOYSA-N 0 2 317.389 1.957 20 30 DDEDLN CC[N@@H+](CC(=O)[O-])CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000829628516 601305755 /nfs/dbraw/zinc/30/57/55/601305755.db2.gz DSPWWKIOBBVHNY-UHFFFAOYSA-N 0 2 317.389 1.957 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000825354132 604606489 /nfs/dbraw/zinc/60/64/89/604606489.db2.gz ZNLSLYJQDXDNGW-DOMZBBRYSA-N 0 2 319.361 1.294 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000825354132 604606492 /nfs/dbraw/zinc/60/64/92/604606492.db2.gz ZNLSLYJQDXDNGW-DOMZBBRYSA-N 0 2 319.361 1.294 20 30 DDEDLN N#CCc1ccc(NC(=O)C[NH+]2CCC(NC(=O)[O-])CC2)cc1 ZINC000831109553 605585134 /nfs/dbraw/zinc/58/51/34/605585134.db2.gz MPFMSFBBZXGZOA-UHFFFAOYSA-N 0 2 316.361 1.423 20 30 DDEDLN N#C[C@H](c1ccc(F)cc1)N1CC[NH+](CCNC(=O)[O-])CC1 ZINC000833964825 605772458 /nfs/dbraw/zinc/77/24/58/605772458.db2.gz QXGZJFQKBQLSJZ-CQSZACIVSA-N 0 2 306.341 1.276 20 30 DDEDLN Nc1nc(Cl)cc(NN=Cc2ccc(-c3nn[nH]n3)s2)n1 ZINC000826396272 609417436 /nfs/dbraw/zinc/41/74/36/609417436.db2.gz PGKUGWJFXMAUMU-UHFFFAOYSA-N 0 2 321.757 1.400 20 30 DDEDLN C[C@@H]1CCC[C@H](OCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000122742293 696724624 /nfs/dbraw/zinc/72/46/24/696724624.db2.gz BFVGSWXFFQQGTM-FRRDWIJNSA-N 0 2 303.362 1.907 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000981740775 696899171 /nfs/dbraw/zinc/89/91/71/696899171.db2.gz BUCYKBHRGUVYBV-UHFFFAOYSA-N 0 2 307.398 1.147 20 30 DDEDLN C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1nnnn1C1CC1 ZINC000190198246 697585140 /nfs/dbraw/zinc/58/51/40/697585140.db2.gz NXULWTGDBDJUPX-WPIAHNSYSA-N 0 2 302.294 1.802 20 30 DDEDLN C=CCS(=O)(=O)[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000779366311 698417829 /nfs/dbraw/zinc/41/78/29/698417829.db2.gz MWIKTTGQUCCOFM-JTQLQIEISA-N 0 2 313.375 1.590 20 30 DDEDLN C#CCOc1ccccc1NS(=O)(=O)c1ccc(OC)nc1 ZINC000795353536 699861079 /nfs/dbraw/zinc/86/10/79/699861079.db2.gz XYSCUMUSYQBRNK-UHFFFAOYSA-N 0 2 318.354 1.903 20 30 DDEDLN COC(=O)c1ccc(N=NCc2ccc([N+](=O)[O-])c(O)c2)nc1 ZINC000758140552 700685819 /nfs/dbraw/zinc/68/58/19/700685819.db2.gz FWGULONANDKVEJ-UHFFFAOYSA-N 0 2 316.273 1.928 20 30 DDEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)NCc1ccc(C#N)cn1 ZINC000759315645 700745964 /nfs/dbraw/zinc/74/59/64/700745964.db2.gz CEQBMGNRSNOKCL-UHFFFAOYSA-N 0 2 314.267 1.027 20 30 DDEDLN C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@H]1SC(=N)NC1=O ZINC000840538066 702146528 /nfs/dbraw/zinc/14/65/28/702146528.db2.gz MQVKXLOLFHHTOG-QWHCGFSZSA-N 0 2 317.414 1.846 20 30 DDEDLN CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C(F)C(F)(F)F ZINC000846331600 703265739 /nfs/dbraw/zinc/26/57/39/703265739.db2.gz BXUYCNAVWRUGLO-WDEREUQCSA-N 0 2 304.243 1.950 20 30 DDEDLN CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H](F)C(F)(F)F ZINC000846331600 703265741 /nfs/dbraw/zinc/26/57/41/703265741.db2.gz BXUYCNAVWRUGLO-WDEREUQCSA-N 0 2 304.243 1.950 20 30 DDEDLN C[C@@H](CC#N)N(C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000859194098 704817370 /nfs/dbraw/zinc/81/73/70/704817370.db2.gz JDWBMBDWGPJJND-QMMMGPOBSA-N 0 2 317.267 1.832 20 30 DDEDLN C=CC[C@@H](C(=O)OC)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000878443859 706389142 /nfs/dbraw/zinc/38/91/42/706389142.db2.gz UHBGVCOLIAFPTC-JTQLQIEISA-N 0 2 307.375 1.946 20 30 DDEDLN C#CC[C@@H](COC)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000867569095 707042891 /nfs/dbraw/zinc/04/28/91/707042891.db2.gz UMNPJOYMHIYEGZ-VIFPVBQESA-N 0 2 318.782 1.522 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000909731088 709599677 /nfs/dbraw/zinc/59/96/77/709599677.db2.gz AUDLCKDGELFVLZ-ZDUSSCGKSA-N 0 2 302.330 1.430 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000909731088 709599680 /nfs/dbraw/zinc/59/96/80/709599680.db2.gz AUDLCKDGELFVLZ-ZDUSSCGKSA-N 0 2 302.330 1.430 20 30 DDEDLN C=CC[N@H+](CC(=O)[O-])Cc1c(C)nn(-c2ccccn2)c1C ZINC000901587450 710085316 /nfs/dbraw/zinc/08/53/16/710085316.db2.gz VFMCMDFQUWVZSZ-UHFFFAOYSA-N 0 2 300.362 1.957 20 30 DDEDLN C=CC[N@@H+](CC(=O)[O-])Cc1c(C)nn(-c2ccccn2)c1C ZINC000901587450 710085321 /nfs/dbraw/zinc/08/53/21/710085321.db2.gz VFMCMDFQUWVZSZ-UHFFFAOYSA-N 0 2 300.362 1.957 20 30 DDEDLN C#CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3[nH]nc(C)c3[O-])C2)C1 ZINC000961135098 716826754 /nfs/dbraw/zinc/82/67/54/716826754.db2.gz VDPRLZCWYYMHSX-UONOGXRCSA-N 0 2 316.405 1.231 20 30 DDEDLN C#CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3[nH]nc(C)c3[O-])C2)C1 ZINC000961135098 716826757 /nfs/dbraw/zinc/82/67/57/716826757.db2.gz VDPRLZCWYYMHSX-UONOGXRCSA-N 0 2 316.405 1.231 20 30 DDEDLN C#CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001039250500 733372450 /nfs/dbraw/zinc/37/24/50/733372450.db2.gz OIHCHLOUONAEOX-DOTOQJQBSA-N 0 2 314.433 1.597 20 30 DDEDLN C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001027885254 738773195 /nfs/dbraw/zinc/77/31/95/738773195.db2.gz CDMJZWIXUMBJFH-CABCVRRESA-N 0 2 300.406 1.434 20 30 DDEDLN CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001023447742 735244218 /nfs/dbraw/zinc/24/42/18/735244218.db2.gz VHJKMMQDFHALGL-JKSUJKDBSA-N 0 2 314.433 1.297 20 30 DDEDLN C[C@H](CNc1nccnc1C#N)N(C)C(=O)C(F)C(F)(F)F ZINC001104848178 737278486 /nfs/dbraw/zinc/27/84/86/737278486.db2.gz XBRWGBVREOTAKH-VXNVDRBHSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001104848178 737278492 /nfs/dbraw/zinc/27/84/92/737278492.db2.gz XBRWGBVREOTAKH-VXNVDRBHSA-N 0 2 319.262 1.507 20 30 DDEDLN C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001088678180 742070485 /nfs/dbraw/zinc/07/04/85/742070485.db2.gz JKAJVTIXBNLYHK-ILXRZTDVSA-N 0 2 300.406 1.048 20 30 DDEDLN CN(CCNc1ccc(C#N)nc1)C(=O)C(F)C(F)(F)F ZINC001102002862 742210902 /nfs/dbraw/zinc/21/09/02/742210902.db2.gz DBDAMGSOHKCIIS-JTQLQIEISA-N 0 2 304.247 1.724 20 30 DDEDLN CN(CCNc1ccc(C#N)nc1)C(=O)[C@H](F)C(F)(F)F ZINC001102002862 742210904 /nfs/dbraw/zinc/21/09/04/742210904.db2.gz DBDAMGSOHKCIIS-JTQLQIEISA-N 0 2 304.247 1.724 20 30 DDEDLN CC(=O)Nc1ccc(NC(=O)C(CO)C(F)(F)F)cc1C#N ZINC001183284224 743819301 /nfs/dbraw/zinc/81/93/01/743819301.db2.gz KRABQKSEUPQWDG-JTQLQIEISA-N 0 2 315.251 1.626 20 30 DDEDLN CC(=O)Nc1ccc(NC(=O)[C@H](CO)C(F)(F)F)cc1C#N ZINC001183284224 743819305 /nfs/dbraw/zinc/81/93/05/743819305.db2.gz KRABQKSEUPQWDG-JTQLQIEISA-N 0 2 315.251 1.626 20 30 DDEDLN CCCC#CC(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001184270257 743996173 /nfs/dbraw/zinc/99/61/73/743996173.db2.gz HSARPSKTZQFPOJ-UHFFFAOYSA-N 0 2 323.312 1.715 20 30 DDEDLN N#Cc1ccnc(NS(=O)(=O)c2ccc3nsnc3c2)c1 ZINC001186217424 744366015 /nfs/dbraw/zinc/36/60/15/744366015.db2.gz TZZMQJFTLBQKAE-UHFFFAOYSA-N 0 2 317.355 1.759 20 30 DDEDLN C#Cc1nc(Br)cnc1NS(=O)(=O)CC1CC1 ZINC001188931025 744793394 /nfs/dbraw/zinc/79/33/94/744793394.db2.gz SYRINPDXRUINQM-UHFFFAOYSA-N 0 2 316.180 1.372 20 30 DDEDLN C[C@H](CCNc1nccnc1C#N)NC(=O)C(F)C(F)(F)F ZINC001106604006 745827127 /nfs/dbraw/zinc/82/71/27/745827127.db2.gz UIVNMOURNDYSMC-VXNVDRBHSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNc1nccnc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001106604006 745827133 /nfs/dbraw/zinc/82/71/33/745827133.db2.gz UIVNMOURNDYSMC-VXNVDRBHSA-N 0 2 319.262 1.555 20 30 DDEDLN CCOC(=O)c1cnn2cccc(NS(=O)(=O)[C@@H](C)C#N)c12 ZINC001193106527 745980344 /nfs/dbraw/zinc/98/03/44/745980344.db2.gz GWSKGZFTYKKGCA-VIFPVBQESA-N 0 2 322.346 1.165 20 30 DDEDLN C[C@H](C#N)S(=O)(=O)Nc1cccc2c1NC(=O)CC2(C)C ZINC001193162201 746003721 /nfs/dbraw/zinc/00/37/21/746003721.db2.gz WGPTXTNCHACGDS-SECBINFHSA-N 0 2 307.375 1.960 20 30 DDEDLN CSc1[nH]nc(NC(=O)c2cccc(C#N)c2O)c1C(N)=O ZINC001193642692 746160134 /nfs/dbraw/zinc/16/01/34/746160134.db2.gz NHZMNDBNUPKORG-UHFFFAOYSA-N 0 2 317.330 1.060 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2ccc3[nH]c(=O)cnc3c2)c1O ZINC001193653394 746167520 /nfs/dbraw/zinc/16/75/20/746167520.db2.gz YJEBGEIUAGGJTD-UHFFFAOYSA-N 0 2 306.281 1.753 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2ccc3c(C#N)c[nH]c3c2)[nH]n1 ZINC001194288836 746344685 /nfs/dbraw/zinc/34/46/85/746344685.db2.gz OTMIWEFDGVSENS-UHFFFAOYSA-N 0 2 309.285 1.802 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2ccc3c(C#N)c[nH]c3c2)n[nH]1 ZINC001194288836 746344691 /nfs/dbraw/zinc/34/46/91/746344691.db2.gz OTMIWEFDGVSENS-UHFFFAOYSA-N 0 2 309.285 1.802 20 30 DDEDLN C#CC[N@H+]1CCC[C@H](NC(=O)c2[nH]nnc2-c2ccccc2)[C@@H]1C ZINC000994489782 746686971 /nfs/dbraw/zinc/68/69/71/746686971.db2.gz VBXQSUSXKYWEFT-ZFWWWQNUSA-N 0 2 323.400 1.688 20 30 DDEDLN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033874570 750008734 /nfs/dbraw/zinc/00/87/34/750008734.db2.gz BFNJQVAHYZQNLX-CABCVRRESA-N 0 2 302.422 1.554 20 30 DDEDLN N#Cc1ccc(NC/C=C\CNC(=O)C(F)C(F)(F)F)cn1 ZINC001107560897 750138581 /nfs/dbraw/zinc/13/85/81/750138581.db2.gz DTJFHEPBGBGDTA-BVBSBALXSA-N 0 2 316.258 1.938 20 30 DDEDLN N#Cc1ccc(NC/C=C\CNC(=O)[C@H](F)C(F)(F)F)cn1 ZINC001107560897 750138586 /nfs/dbraw/zinc/13/85/86/750138586.db2.gz DTJFHEPBGBGDTA-BVBSBALXSA-N 0 2 316.258 1.938 20 30 DDEDLN N#Cc1ccc(NC/C=C\CNC(=O)C(F)C(F)(F)F)nc1 ZINC001107561296 750139389 /nfs/dbraw/zinc/13/93/89/750139389.db2.gz KASHZSLEGOYTSM-RFMOXSJOSA-N 0 2 316.258 1.938 20 30 DDEDLN N#Cc1ccc(NC/C=C\CNC(=O)[C@@H](F)C(F)(F)F)nc1 ZINC001107561296 750139393 /nfs/dbraw/zinc/13/93/93/750139393.db2.gz KASHZSLEGOYTSM-RFMOXSJOSA-N 0 2 316.258 1.938 20 30 DDEDLN CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001033932928 750155091 /nfs/dbraw/zinc/15/50/91/750155091.db2.gz UQXDUTPPFVUBKV-IAGOWNOFSA-N 0 2 321.465 1.042 20 30 DDEDLN C=CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001005979309 753449446 /nfs/dbraw/zinc/44/94/46/753449446.db2.gz DWXJSBYTDIKYOB-CQSZACIVSA-N 0 2 302.422 1.938 20 30 DDEDLN CCN(C(=O)[C@@H](F)C(F)(F)F)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001079901842 755624860 /nfs/dbraw/zinc/62/48/60/755624860.db2.gz YIJTXWKDWKISEW-VXNVDRBHSA-N 0 2 309.263 1.106 20 30 DDEDLN CCN(C(=O)C(F)C(F)(F)F)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001079901842 755624858 /nfs/dbraw/zinc/62/48/58/755624858.db2.gz YIJTXWKDWKISEW-VXNVDRBHSA-N 0 2 309.263 1.106 20 30 DDEDLN CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001085855765 760392369 /nfs/dbraw/zinc/39/23/69/760392369.db2.gz INUIQZUDYVKMMM-SJORKVTESA-N 0 2 305.466 1.805 20 30 DDEDLN CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001070706901 768685733 /nfs/dbraw/zinc/68/57/33/768685733.db2.gz NMAVUAQDRKFOEB-ZYHUDNBSSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001070706901 768685735 /nfs/dbraw/zinc/68/57/35/768685735.db2.gz NMAVUAQDRKFOEB-ZYHUDNBSSA-N 0 2 322.302 1.653 20 30 DDEDLN N#Cc1cccnc1NCCCNC(=O)C(F)C(F)(F)F ZINC001094846129 776499098 /nfs/dbraw/zinc/49/90/98/776499098.db2.gz MPPDJKOTMZJXEQ-SECBINFHSA-N 0 2 304.247 1.772 20 30 DDEDLN N#Cc1cccnc1NCCCNC(=O)[C@@H](F)C(F)(F)F ZINC001094846129 776499101 /nfs/dbraw/zinc/49/91/01/776499101.db2.gz MPPDJKOTMZJXEQ-SECBINFHSA-N 0 2 304.247 1.772 20 30 DDEDLN COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H](C#N)Cc1cccs1 ZINC001177908240 778779624 /nfs/dbraw/zinc/77/96/24/778779624.db2.gz JRNFOTVMXFOXQS-NHCYSSNCSA-N 0 2 310.350 1.542 20 30 DDEDLN N#CCNC[C@]12CCC[C@H]1CN(C(=O)C(F)C(F)(F)F)C2 ZINC001112360640 779736061 /nfs/dbraw/zinc/73/60/61/779736061.db2.gz CIWDGAXCHLHQJM-NHCYSSNCSA-N 0 2 307.291 1.629 20 30 DDEDLN N#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001112360640 779736071 /nfs/dbraw/zinc/73/60/71/779736071.db2.gz CIWDGAXCHLHQJM-NHCYSSNCSA-N 0 2 307.291 1.629 20 30 DDEDLN C#CC[N@H+]1CCc2c(CNC(=O)Cn3cc[nH+]c3C)cccc2C1 ZINC001326674002 861532278 /nfs/dbraw/zinc/53/22/78/861532278.db2.gz GXZDLLYHTGNCLB-UHFFFAOYSA-N 0 2 322.412 1.499 20 30 DDEDLN COc1nn(C)cc1C(=O)[C@H](C#N)c1nc2ccccc2n1C ZINC001122394566 858791424 /nfs/dbraw/zinc/79/14/24/858791424.db2.gz GBVQUZVQDRWYAW-JTQLQIEISA-N 0 2 309.329 1.805 20 30 DDEDLN CN(CC#N)c1ncccc1S(=O)(=O)Nc1cccc(F)c1 ZINC001166802048 870263444 /nfs/dbraw/zinc/26/34/44/870263444.db2.gz PTYOIFXPVXDUOW-UHFFFAOYSA-N 0 2 320.349 1.981 20 30 DDEDLN C#CCN(CC#C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC(=C)C ZINC001342358816 872165737 /nfs/dbraw/zinc/16/57/37/872165737.db2.gz PCGGVUYFEJJWHX-UHFFFAOYSA-N 0 2 324.388 1.516 20 30 DDEDLN C#C[C@H](C)N(C)c1nnc(-c2n[nH]c(Cl)n2)n1CC(=C)C ZINC001343420888 872617918 /nfs/dbraw/zinc/61/79/18/872617918.db2.gz WGMMGZSYXAMEGH-VIFPVBQESA-N 0 2 305.773 1.751 20 30 DDEDLN C=C[C@@H](CC(=O)OC(C)(C)C)Oc1[nH]c(=O)nc2nc[nH]c21 ZINC001227064238 882805325 /nfs/dbraw/zinc/80/53/25/882805325.db2.gz MGFPYHRBJVEAOB-QMMMGPOBSA-N 0 2 306.322 1.724 20 30 DDEDLN Cn1c(=O)[nH]c(NCC[C@@]2(C)CC2(Cl)Cl)c(C#N)c1=O ZINC001354214291 877810812 /nfs/dbraw/zinc/81/08/12/877810812.db2.gz WOIUZMSXRNNLKX-NSHDSACASA-N 0 2 317.176 1.331 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC001363185137 885663801 /nfs/dbraw/zinc/66/38/01/885663801.db2.gz PIMXTPVPRLHQGU-HNNXBMFYSA-N 0 2 322.368 1.884 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC001363185137 885663806 /nfs/dbraw/zinc/66/38/06/885663806.db2.gz PIMXTPVPRLHQGU-HNNXBMFYSA-N 0 2 322.368 1.884 20 30 DDEDLN O=C(CC(F)(F)F)N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001385312488 888857987 /nfs/dbraw/zinc/85/79/87/888857987.db2.gz HTQUJZMZFHVRMT-IYSWYEEDSA-N 0 2 324.196 1.556 20 30 DDEDLN O=C(CC(F)(F)F)N[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001385312488 888857999 /nfs/dbraw/zinc/85/79/99/888857999.db2.gz HTQUJZMZFHVRMT-IYSWYEEDSA-N 0 2 324.196 1.556 20 30 DDEDLN C[C@H](C#N)C(=O)NCCN(C(=O)C(F)C(F)(F)F)C1CC1 ZINC001388679123 895679999 /nfs/dbraw/zinc/67/99/99/895679999.db2.gz SJVQKOSUZDTAFQ-VXNVDRBHSA-N 0 2 309.263 1.154 20 30 DDEDLN C[C@H](C#N)C(=O)NCCN(C(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001388679123 895680007 /nfs/dbraw/zinc/68/00/07/895680007.db2.gz SJVQKOSUZDTAFQ-VXNVDRBHSA-N 0 2 309.263 1.154 20 30 DDEDLN O=C(C#CC1CC1)NC[C@@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001285856807 911314784 /nfs/dbraw/zinc/31/47/84/911314784.db2.gz RZKQAKBKTPMBTQ-GXSJLCMTSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(C#CC1CC1)NC[C@@H]1CCN1C(=O)[C@@H](F)C(F)(F)F ZINC001285856807 911314800 /nfs/dbraw/zinc/31/48/00/911314800.db2.gz RZKQAKBKTPMBTQ-GXSJLCMTSA-N 0 2 306.259 1.017 20 30 DDEDLN Cc1ccn(-c2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2)n1 ZINC000047088057 352480681 /nfs/dbraw/zinc/48/06/81/352480681.db2.gz YWTZTWCWVFXWGN-UHFFFAOYSA-N 0 2 317.312 1.899 20 30 DDEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000079243083 353555561 /nfs/dbraw/zinc/55/55/61/353555561.db2.gz FEDPYNDJZLYREG-UHFFFAOYSA-N 0 2 323.399 1.860 20 30 DDEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cnoc2)c1 ZINC000623946488 366125332 /nfs/dbraw/zinc/12/53/32/366125332.db2.gz KVTDCVIREVNPRV-UHFFFAOYSA-N 0 2 307.331 1.391 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)/C=C/c2ccccc2)c1 ZINC000493022947 234676526 /nfs/dbraw/zinc/67/65/26/234676526.db2.gz WIQRIKROEJJAGE-VOTSOKGWSA-N 0 2 313.338 1.472 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)N[C@@H](c2nn[nH]n2)c2ccccc2)c1 ZINC000589169846 354967611 /nfs/dbraw/zinc/96/76/11/354967611.db2.gz MCRPLOGFFRPSRX-CQSZACIVSA-N 0 2 320.312 1.296 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)c1 ZINC000590120689 355051293 /nfs/dbraw/zinc/05/12/93/355051293.db2.gz DIOMTTQFMYHYKB-UHFFFAOYSA-N 0 2 306.285 1.696 20 30 DDEDLN COc1cncnc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000590592346 355123278 /nfs/dbraw/zinc/12/32/78/355123278.db2.gz NAHZWDUHNAOTET-UHFFFAOYSA-N 0 2 304.331 1.352 20 30 DDEDLN CCN(C[C@H](C)C#N)C(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000596825610 356987402 /nfs/dbraw/zinc/98/74/02/356987402.db2.gz CXCZOUWODJAXNS-SNVBAGLBSA-N 0 2 300.318 1.652 20 30 DDEDLN N#C[C@@]1(F)CCN(C(=O)c2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000597545699 357220070 /nfs/dbraw/zinc/22/00/70/357220070.db2.gz AHIAETXIFPWEHI-AWEZNQCLSA-N 0 2 302.265 1.108 20 30 DDEDLN C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000597443278 357177957 /nfs/dbraw/zinc/17/79/57/357177957.db2.gz SIOPCVBURXGBAB-GFCCVEGCSA-N 0 2 307.306 1.710 20 30 DDEDLN CCN(C(=O)C1=NN(c2ccc(OC)cc2)CC1=O)[C@H](C)C#N ZINC000598359572 357551651 /nfs/dbraw/zinc/55/16/51/357551651.db2.gz OSWMKPOMQPEJKO-LLVKDONJSA-N 0 2 314.345 1.961 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2)nn1CCC#N ZINC000348909475 223389823 /nfs/dbraw/zinc/38/98/23/223389823.db2.gz QJZZOHZAXOPRTD-UHFFFAOYSA-N 0 2 315.358 1.778 20 30 DDEDLN N#Cc1nc(NC(=O)Cc2ccc(OC(F)F)cc2)[nH]c1C#N ZINC000026271312 248181987 /nfs/dbraw/zinc/18/19/87/248181987.db2.gz CHERSZPTRPDLJJ-UHFFFAOYSA-N 0 2 317.255 1.936 20 30 DDEDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(C#N)c[nH]1 ZINC000175174765 248395629 /nfs/dbraw/zinc/39/56/29/248395629.db2.gz GIMZJUAVWSHXEJ-UHFFFAOYSA-N 0 2 313.342 1.457 20 30 DDEDLN N#Cc1nc(NC(=O)Cc2ccc(-n3cccn3)cc2)[nH]c1C#N ZINC000076359594 406965392 /nfs/dbraw/zinc/96/53/92/406965392.db2.gz JQZZLLNZWNSYOU-UHFFFAOYSA-N 0 2 317.312 1.520 20 30 DDEDLN CC[C@@H]1CCCC[C@@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408483172 164345821 /nfs/dbraw/zinc/34/58/21/164345821.db2.gz BBCUHRDIZXZTHZ-OCCSQVGLSA-N 0 2 321.402 1.975 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H]2CCCOC2)cc1C#N ZINC000356978471 409765808 /nfs/dbraw/zinc/76/58/08/409765808.db2.gz KHMGCWLIAQVUHE-ZJUUUORDSA-N 0 2 321.402 1.926 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)C2(Oc3ccccc3F)CC2)c1C#N ZINC000357256835 409951518 /nfs/dbraw/zinc/95/15/18/409951518.db2.gz LHQSVJQOOMYPQY-UHFFFAOYSA-N 0 2 300.293 2.279 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCOC[C@@H]2C)cc1C#N ZINC000342953944 410025563 /nfs/dbraw/zinc/02/55/63/410025563.db2.gz WWWHNJJRPTZEKH-UWVGGRQHSA-N 0 2 321.402 1.783 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)[C@@H](CO)CC(C)C)cc1C#N ZINC000358785769 410534029 /nfs/dbraw/zinc/53/40/29/410534029.db2.gz NKVODTJMZQUCIV-LLVKDONJSA-N 0 2 323.418 1.860 20 30 DDEDLN COC(=O)c1cc(S(=O)(=O)Nc2cc(C#N)ccn2)c(C)o1 ZINC000352881522 410684765 /nfs/dbraw/zinc/68/47/65/410684765.db2.gz DMNBLTAANPCBPB-UHFFFAOYSA-N 0 2 321.314 1.442 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[C@H](O)C2)cc1C#N ZINC000331062837 410926072 /nfs/dbraw/zinc/92/60/72/410926072.db2.gz OBJVTOSZFKMHQD-WPRPVWTQSA-N 0 2 307.375 1.272 20 30 DDEDLN CC(C)C/N=C1/NC(=O)[C@@H](CC(=O)NCC(F)(F)F)S1 ZINC000195215988 222193054 /nfs/dbraw/zinc/19/30/54/222193054.db2.gz CNNGYYWEZDMISJ-SSDOTTSWSA-N 0 2 311.329 1.299 20 30 DDEDLN C[C@H]1CC(=[NH+]C([O-])=C2CCN(c3cccc(Cl)c3)C2=O)NO1 ZINC000361205156 418604552 /nfs/dbraw/zinc/60/45/52/418604552.db2.gz QIOZYQCKOQYRNZ-JOYOIKCWSA-N 0 2 321.764 1.931 20 30 DDEDLN Cc1n[nH]c(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1 ZINC000367713273 418624768 /nfs/dbraw/zinc/62/47/68/418624768.db2.gz RILXWPAHZDYMNT-LLVKDONJSA-N 0 2 314.324 1.589 20 30 DDEDLN CCc1n[nH]c(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1C ZINC000427744276 419724163 /nfs/dbraw/zinc/72/41/63/419724163.db2.gz AEUMPHKMGYYZJS-UHFFFAOYSA-N 0 2 305.363 1.656 20 30 DDEDLN Cn1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c2ccccc2c1=O ZINC000430439943 420121208 /nfs/dbraw/zinc/12/12/08/420121208.db2.gz KWBONKKGYYCZRB-UHFFFAOYSA-N 0 2 318.296 1.257 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc3nncn3c2)c(F)c1 ZINC000514626144 421441854 /nfs/dbraw/zinc/44/18/54/421441854.db2.gz RZWZSORIMXTMST-UHFFFAOYSA-N 0 2 317.305 1.541 20 30 DDEDLN N#CCc1ccnc(NS(=O)(=O)c2cccc3c2OCO3)c1 ZINC000568535032 421620227 /nfs/dbraw/zinc/62/02/27/421620227.db2.gz HAWVCZOAHLFPOA-UHFFFAOYSA-N 0 2 317.326 1.677 20 30 DDEDLN COc1ccccc1S(=O)(=O)Nc1cc(CC#N)ccn1 ZINC000532163038 421650324 /nfs/dbraw/zinc/65/03/24/421650324.db2.gz DTDKPCJLWQSPEM-UHFFFAOYSA-N 0 2 303.343 1.957 20 30 DDEDLN Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c(C)n1[C@H]1CCOC1 ZINC000530262616 269911123 /nfs/dbraw/zinc/91/11/23/269911123.db2.gz VPXXQJSXKPZLDU-NSHDSACASA-N 0 2 324.344 1.785 20 30 DDEDLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(C#N)s2)cc1 ZINC000610725152 422470886 /nfs/dbraw/zinc/47/08/86/422470886.db2.gz IWPJNCGSRXJEBD-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN CCC[C@@H](C)[C@@H](CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000576233942 308299794 /nfs/dbraw/zinc/29/97/94/308299794.db2.gz OMNDQDOWNOUTLA-BXKDBHETSA-N 0 2 323.418 1.908 20 30 DDEDLN C=CC[C@@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000185731588 333370633 /nfs/dbraw/zinc/37/06/33/333370633.db2.gz MDOQRYVCSACMOT-NSHDSACASA-N 0 2 305.309 1.384 20 30 DDEDLN N#CC(C(=O)N1CCCC1)=C([O-])c1[nH+]cc2c(F)cccn21 ZINC000528914664 340738940 /nfs/dbraw/zinc/73/89/40/340738940.db2.gz LRNSQECLVJPYKA-SNVBAGLBSA-N 0 2 300.293 1.418 20 30 DDEDLN C=C[C@@](C)(CCOC)C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000572605706 341697862 /nfs/dbraw/zinc/69/78/62/341697862.db2.gz VPNOJXSXEGEJRH-NHYWBVRUSA-N 0 2 308.382 1.445 20 30 DDEDLN N#C[C@H](C(=O)c1ccn2nnnc2c1)c1nc(C2CC2)cs1 ZINC000659116474 484638055 /nfs/dbraw/zinc/63/80/55/484638055.db2.gz XFSAKJQQQOHTGI-SNVBAGLBSA-N 0 2 310.342 1.948 20 30 DDEDLN CCOC(=O)N1CC[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1 ZINC000495342486 528995967 /nfs/dbraw/zinc/99/59/67/528995967.db2.gz MQXNJBXHIGWEQM-SHLUWWQESA-N 0 2 307.306 1.950 20 30 DDEDLN CC(=O)NCC[N@H+](CC#Cc1ccc(F)cc1)[C@@H](C)C(=O)[O-] ZINC000819770461 597680319 /nfs/dbraw/zinc/68/03/19/597680319.db2.gz UFBWXPHSTQMZPP-LBPRGKRZSA-N 0 2 306.337 1.088 20 30 DDEDLN CC(=O)NCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H](C)C(=O)[O-] ZINC000819770461 597680323 /nfs/dbraw/zinc/68/03/23/597680323.db2.gz UFBWXPHSTQMZPP-LBPRGKRZSA-N 0 2 306.337 1.088 20 30 DDEDLN Cc1oc(NC(=O)C[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)c(C#N)c1C ZINC000740274699 601948342 /nfs/dbraw/zinc/94/83/42/601948342.db2.gz QOVNGMCMOJDLOZ-NSHDSACASA-N 0 2 320.349 1.296 20 30 DDEDLN Cc1oc(NC(=O)C[N@H+]2CC[C@@H](CNC(=O)[O-])C2)c(C#N)c1C ZINC000740274699 601948343 /nfs/dbraw/zinc/94/83/43/601948343.db2.gz QOVNGMCMOJDLOZ-NSHDSACASA-N 0 2 320.349 1.296 20 30 DDEDLN COc1cc(C#N)ccc1OCC[N@@H+]1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739853532 603364248 /nfs/dbraw/zinc/36/42/48/603364248.db2.gz USVWLEZWGRFFMC-LBPRGKRZSA-N 0 2 319.361 1.630 20 30 DDEDLN COc1cc(C#N)ccc1OCC[N@H+]1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000739853532 603364249 /nfs/dbraw/zinc/36/42/49/603364249.db2.gz USVWLEZWGRFFMC-LBPRGKRZSA-N 0 2 319.361 1.630 20 30 DDEDLN C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])C1CC1 ZINC000823648769 603985311 /nfs/dbraw/zinc/98/53/11/603985311.db2.gz WZPSCHRFEPLFOG-DVOMOZLQSA-N 0 2 320.393 1.012 20 30 DDEDLN C[C@](C#N)(NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-])C1CC1 ZINC000823648769 603985314 /nfs/dbraw/zinc/98/53/14/603985314.db2.gz WZPSCHRFEPLFOG-DVOMOZLQSA-N 0 2 320.393 1.012 20 30 DDEDLN C#Cc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2CNC(=O)[O-])c1 ZINC000823473862 605741943 /nfs/dbraw/zinc/74/19/43/605741943.db2.gz IRZWJVVRDXWKMH-AWEZNQCLSA-N 0 2 316.361 1.083 20 30 DDEDLN C#Cc1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2CNC(=O)[O-])c1 ZINC000823473862 605741947 /nfs/dbraw/zinc/74/19/47/605741947.db2.gz IRZWJVVRDXWKMH-AWEZNQCLSA-N 0 2 316.361 1.083 20 30 DDEDLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(OCC#N)c1 ZINC000036682853 696130653 /nfs/dbraw/zinc/13/06/53/696130653.db2.gz JBGVFGLXYGNIDS-UHFFFAOYSA-N 0 2 306.347 1.730 20 30 DDEDLN COC[C@H](C)NC(=S)NN=Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000748132289 700101424 /nfs/dbraw/zinc/10/14/24/700101424.db2.gz SKRLTCMEOYYHEF-QMMMGPOBSA-N 0 2 312.351 1.133 20 30 DDEDLN CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@]2(C)C1 ZINC000982598119 697156277 /nfs/dbraw/zinc/15/62/77/697156277.db2.gz GGOZIBPVNIQTPW-CALCHBBNSA-N 0 2 300.406 1.146 20 30 DDEDLN C#CCOc1ccccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000187085090 697541262 /nfs/dbraw/zinc/54/12/62/697541262.db2.gz COUANFRBNCGVPH-UHFFFAOYSA-N 0 2 313.338 1.766 20 30 DDEDLN C[C@]1(NC(=O)C(F)(F)F)CCN(c2ncc(C#N)cc2F)C1 ZINC000866282825 706664112 /nfs/dbraw/zinc/66/41/12/706664112.db2.gz OMEKINIHGPIUEW-LBPRGKRZSA-N 0 2 316.258 1.740 20 30 DDEDLN CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C(F)C(F)(F)F ZINC000846331594 703265756 /nfs/dbraw/zinc/26/57/56/703265756.db2.gz BXUYCNAVWRUGLO-GHMZBOCLSA-N 0 2 304.243 1.950 20 30 DDEDLN CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H](F)C(F)(F)F ZINC000846331594 703265757 /nfs/dbraw/zinc/26/57/57/703265757.db2.gz BXUYCNAVWRUGLO-GHMZBOCLSA-N 0 2 304.243 1.950 20 30 DDEDLN CCN(CC#N)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000858755806 704753251 /nfs/dbraw/zinc/75/32/51/704753251.db2.gz MXGAKHZIPXLKPD-UHFFFAOYSA-N 0 2 303.240 1.444 20 30 DDEDLN Cc1cccc2c1[nH]cc(C(=O)N1CCO[C@](C)(C#N)C1)c2=O ZINC000900740176 709737549 /nfs/dbraw/zinc/73/75/49/709737549.db2.gz JTTGOUOQGOXRGE-QGZVFWFLSA-N 0 2 311.341 1.591 20 30 DDEDLN C=C(Cl)C[C@@H]([NH3+])C(=O)[N-]S(=O)(=O)CCc1ccccc1 ZINC000901022603 709887101 /nfs/dbraw/zinc/88/71/01/709887101.db2.gz GEOUXTUQTBRQIC-GFCCVEGCSA-N 0 2 316.810 1.145 20 30 DDEDLN C=CC(C)(C)C(=O)N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000911168863 710666938 /nfs/dbraw/zinc/66/69/38/710666938.db2.gz QQDREWZLVCQFHT-UHFFFAOYSA-N 0 2 303.362 1.641 20 30 DDEDLN C=C[C@@H](C)ONC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000911903192 711060740 /nfs/dbraw/zinc/06/07/40/711060740.db2.gz PRHGEEPBXYCXAT-SECBINFHSA-N 0 2 316.404 1.048 20 30 DDEDLN C#CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncn[nH]1 ZINC000948970179 719815874 /nfs/dbraw/zinc/81/58/74/719815874.db2.gz TYWUBZNMAXVREK-HNNXBMFYSA-N 0 2 309.373 1.157 20 30 DDEDLN C#CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)c1ncn[nH]1 ZINC000948970179 719815882 /nfs/dbraw/zinc/81/58/82/719815882.db2.gz TYWUBZNMAXVREK-HNNXBMFYSA-N 0 2 309.373 1.157 20 30 DDEDLN C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972573826 735262798 /nfs/dbraw/zinc/26/27/98/735262798.db2.gz SZJWMYHAFNKQRR-KRWDZBQOSA-N 0 2 318.421 1.222 20 30 DDEDLN C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2nn[nH]c2C1 ZINC001024755552 736069749 /nfs/dbraw/zinc/06/97/49/736069749.db2.gz JWANUOYWPKBILJ-OLZOCXBDSA-N 0 2 303.410 1.066 20 30 DDEDLN N#Cc1ccc(F)c(S(=O)(=O)Nc2cnc(Cl)nc2)c1 ZINC001190616459 745259504 /nfs/dbraw/zinc/25/95/04/745259504.db2.gz QQVBJUPQNSKKQP-UHFFFAOYSA-N 0 2 312.713 1.942 20 30 DDEDLN CCOC(=O)c1cnn2ccc(NS(=O)(=O)[C@@H](C)C#N)cc12 ZINC001193106931 745980498 /nfs/dbraw/zinc/98/04/98/745980498.db2.gz LMTRNIPVGQHNPL-VIFPVBQESA-N 0 2 322.346 1.165 20 30 DDEDLN COCCOc1cccc(F)c1NS(=O)(=O)[C@@H](C)C#N ZINC001193157387 746001548 /nfs/dbraw/zinc/00/15/48/746001548.db2.gz DBRMOGXYTIIURQ-VIFPVBQESA-N 0 2 302.327 1.505 20 30 DDEDLN N#Cc1cccc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c1O ZINC001193660203 746168785 /nfs/dbraw/zinc/16/87/85/746168785.db2.gz WBOOTHDKMLQFFT-CYBMUJFWSA-N 0 2 308.341 1.668 20 30 DDEDLN C#CCOCCNS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000867094307 746270041 /nfs/dbraw/zinc/27/00/41/746270041.db2.gz LIWHZFCMQMPIOI-UHFFFAOYSA-N 0 2 304.755 1.134 20 30 DDEDLN COC(=O)CCCCS(=O)(=O)Nc1cccc(C)c1C#N ZINC001196952018 747018295 /nfs/dbraw/zinc/01/82/95/747018295.db2.gz INVCICGOPIESDA-UHFFFAOYSA-N 0 2 310.375 1.952 20 30 DDEDLN C=C1CCC(C(=O)NC2CC[NH+](Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001003561335 747289309 /nfs/dbraw/zinc/28/93/09/747289309.db2.gz ANOYXZTXPYLDSC-UHFFFAOYSA-N 0 2 319.409 1.337 20 30 DDEDLN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001033211532 748942924 /nfs/dbraw/zinc/94/29/24/748942924.db2.gz JZIHIZUBTNULHT-GJZGRUSLSA-N 0 2 302.422 1.554 20 30 DDEDLN C#CCCCC(=O)NC1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC001063307392 754079497 /nfs/dbraw/zinc/07/94/97/754079497.db2.gz PMFOBZHHZOZBIZ-LLVKDONJSA-N 0 2 322.302 1.845 20 30 DDEDLN C#CCCCC(=O)NC1(CNC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001063307392 754079503 /nfs/dbraw/zinc/07/95/03/754079503.db2.gz PMFOBZHHZOZBIZ-LLVKDONJSA-N 0 2 322.302 1.845 20 30 DDEDLN CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001082200011 756673610 /nfs/dbraw/zinc/67/36/10/756673610.db2.gz MVJNAJURHHRQIV-BRWVUGGUSA-N 0 2 321.465 1.088 20 30 DDEDLN N#CCN1CC[C@@]2(C1)CCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001054136033 759212094 /nfs/dbraw/zinc/21/20/94/759212094.db2.gz NVDYHIAQRLMACE-CMPLNLGQSA-N 0 2 307.291 1.725 20 30 DDEDLN N#CCN1CC[C@@]2(C1)CCCN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001054136033 759212101 /nfs/dbraw/zinc/21/21/01/759212101.db2.gz NVDYHIAQRLMACE-CMPLNLGQSA-N 0 2 307.291 1.725 20 30 DDEDLN C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001109276130 763538119 /nfs/dbraw/zinc/53/81/19/763538119.db2.gz ZAOJKLLGQLFWMZ-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H](F)C(F)(F)F ZINC001109276130 763538126 /nfs/dbraw/zinc/53/81/26/763538126.db2.gz ZAOJKLLGQLFWMZ-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)cn1 ZINC001098328113 767510330 /nfs/dbraw/zinc/51/03/30/767510330.db2.gz UBETUZXIRAKZBG-XVKPBYJWSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ccc(C#N)cn1 ZINC001098328113 767510334 /nfs/dbraw/zinc/51/03/34/767510334.db2.gz UBETUZXIRAKZBG-XVKPBYJWSA-N 0 2 304.247 1.770 20 30 DDEDLN C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC[C@H]1C ZINC001071990661 770398402 /nfs/dbraw/zinc/39/84/02/770398402.db2.gz BMUIYDBZOZRXCG-MNOVXSKESA-N 0 2 314.345 1.144 20 30 DDEDLN C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC[C@H]1C ZINC001071990661 770398411 /nfs/dbraw/zinc/39/84/11/770398411.db2.gz BMUIYDBZOZRXCG-MNOVXSKESA-N 0 2 314.345 1.144 20 30 DDEDLN Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H](Nc2ncccc2C#N)C1 ZINC001091359515 772704533 /nfs/dbraw/zinc/70/45/33/772704533.db2.gz DTZHGJNKDRFJMM-XBXGTLAGSA-N 0 2 324.388 1.534 20 30 DDEDLN Cc1nsc(NCCNC(=O)C(F)C(F)(F)F)c1C#N ZINC001094183124 775546760 /nfs/dbraw/zinc/54/67/60/775546760.db2.gz ZOIJRAOLLKNYQD-SSDOTTSWSA-N 0 2 310.276 1.752 20 30 DDEDLN Cc1nsc(NCCNC(=O)[C@@H](F)C(F)(F)F)c1C#N ZINC001094183124 775546778 /nfs/dbraw/zinc/54/67/78/775546778.db2.gz ZOIJRAOLLKNYQD-SSDOTTSWSA-N 0 2 310.276 1.752 20 30 DDEDLN COC(=O)[C@H](NC(=O)[C@@H](C#N)Cc1cccs1)C(F)(F)F ZINC001177915480 778782921 /nfs/dbraw/zinc/78/29/21/778782921.db2.gz NSUBOBLJTHVNQU-APPZFPTMSA-N 0 2 320.292 1.650 20 30 DDEDLN C=C[C@](C)(CC)C(=O)NCC[N@H+](Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001266609520 836529810 /nfs/dbraw/zinc/52/98/10/836529810.db2.gz PJFKIILCPYIESU-OAHLLOKOSA-N 0 2 307.398 1.193 20 30 DDEDLN C=C[C@](C)(CC)C(=O)NCC[N@@H+](Cc1n[nH]c(=O)[n-]1)C1CC1 ZINC001266609520 836529818 /nfs/dbraw/zinc/52/98/18/836529818.db2.gz PJFKIILCPYIESU-OAHLLOKOSA-N 0 2 307.398 1.193 20 30 DDEDLN Cn1c(=O)[nH]c(N2CC[C@H](CC(C)(C)C)C2(C)C)c(C#N)c1=O ZINC001412895608 855766262 /nfs/dbraw/zinc/76/62/62/855766262.db2.gz FOOWMAIGVZENDJ-LLVKDONJSA-N 0 2 318.421 1.986 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001073079798 858074423 /nfs/dbraw/zinc/07/44/23/858074423.db2.gz RZVNMKCOMNUYPX-IUCAKERBSA-N 0 2 323.290 1.544 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001073079798 858074428 /nfs/dbraw/zinc/07/44/28/858074428.db2.gz RZVNMKCOMNUYPX-IUCAKERBSA-N 0 2 323.290 1.544 20 30 DDEDLN C=CCN(CC1CCCCC1)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001337903303 869678622 /nfs/dbraw/zinc/67/86/22/869678622.db2.gz VVWKDFQWSVTLCT-UHFFFAOYSA-N 0 2 302.378 1.518 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2cccc(C#N)n2)cc1C#N ZINC001361888885 882582386 /nfs/dbraw/zinc/58/23/86/882582386.db2.gz AAYWOOAGWLYLPI-UHFFFAOYSA-N 0 2 311.326 1.900 20 30 DDEDLN CC(C)C#CC(=O)N[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)[C@@H]1C ZINC001345337239 873362707 /nfs/dbraw/zinc/36/27/07/873362707.db2.gz ZBKJVKHBYASOIL-SCVCMEIPSA-N 0 2 322.302 1.652 20 30 DDEDLN CC(C)C#CC(=O)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@@H]1C ZINC001345337239 873362700 /nfs/dbraw/zinc/36/27/00/873362700.db2.gz ZBKJVKHBYASOIL-SCVCMEIPSA-N 0 2 322.302 1.652 20 30 DDEDLN Cc1ccc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)cc1C(N)=O ZINC001362027738 882863942 /nfs/dbraw/zinc/86/39/42/882863942.db2.gz BRCUENHMTRODIZ-UHFFFAOYSA-N 0 2 310.313 1.627 20 30 DDEDLN C=CCC(CC=C)C(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001227519855 883052726 /nfs/dbraw/zinc/05/27/26/883052726.db2.gz BTPFMYGPGWIJIH-UHFFFAOYSA-N 0 2 319.409 1.359 20 30 DDEDLN C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001287636250 912364946 /nfs/dbraw/zinc/36/49/46/912364946.db2.gz DZVKEEZBDAKUKP-GXSJLCMTSA-N 0 2 324.318 1.899 20 30 DDEDLN C[C@@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001287636250 912364961 /nfs/dbraw/zinc/36/49/61/912364961.db2.gz DZVKEEZBDAKUKP-GXSJLCMTSA-N 0 2 324.318 1.899 20 30 DDEDLN C#CCCCC(=O)N1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001356816759 879422180 /nfs/dbraw/zinc/42/21/80/879422180.db2.gz OTYIEMLVTKPKBZ-NSHDSACASA-N 0 2 308.275 1.265 20 30 DDEDLN C#CCCCC(=O)N1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001356816759 879422188 /nfs/dbraw/zinc/42/21/88/879422188.db2.gz OTYIEMLVTKPKBZ-NSHDSACASA-N 0 2 308.275 1.265 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cnn(C)c2C#N)c(OC)c1 ZINC001258952820 898381135 /nfs/dbraw/zinc/38/11/35/898381135.db2.gz AUNILNSUBGAQTK-UHFFFAOYSA-N 0 2 322.346 1.110 20 30 DDEDLN C=CCCC(=O)N1CC[C@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001299546748 898406618 /nfs/dbraw/zinc/40/66/18/898406618.db2.gz LCELVVRFRUBXQJ-PWSUYJOCSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)N1CC[C@](C)(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001299546748 898406624 /nfs/dbraw/zinc/40/66/24/898406624.db2.gz LCELVVRFRUBXQJ-PWSUYJOCSA-N 0 2 310.291 1.960 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCC1=O ZINC001259077827 898453522 /nfs/dbraw/zinc/45/35/22/898453522.db2.gz CTJMRXIYDHYUOS-SSDOTTSWSA-N 0 2 318.276 1.207 20 30 DDEDLN C=CCS(=O)(=O)Nc1nc2cccc(C(F)(F)F)n2n1 ZINC001259924300 898937445 /nfs/dbraw/zinc/93/74/45/898937445.db2.gz QICOZUVSIYCBBM-UHFFFAOYSA-N 0 2 306.269 1.676 20 30 DDEDLN CCOc1nccnc1NS(=O)(=O)Cc1ccc(C#N)cc1 ZINC001260038268 899021462 /nfs/dbraw/zinc/02/14/62/899021462.db2.gz XIFSDEFSZYMGDZ-UHFFFAOYSA-N 0 2 318.358 1.689 20 30 DDEDLN CCc1cc(NS(=O)(=O)c2ccc(C#N)c(C)c2)n(C)n1 ZINC000278496191 214190477 /nfs/dbraw/zinc/19/04/77/214190477.db2.gz MNQUOVLOTQQRFB-UHFFFAOYSA-N 0 2 304.375 1.963 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000616409132 362681535 /nfs/dbraw/zinc/68/15/35/362681535.db2.gz IUPLZRBHWNYEBY-STQMWFEESA-N 0 2 315.329 1.351 20 30 DDEDLN C=CC[N@@H+](Cc1cccc(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000578540671 354709744 /nfs/dbraw/zinc/70/97/44/354709744.db2.gz HQOVNVDIKKKFEB-CQSZACIVSA-N 0 2 309.387 1.560 20 30 DDEDLN C=CC[N@H+](Cc1cccc(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000578540671 354709749 /nfs/dbraw/zinc/70/97/49/354709749.db2.gz HQOVNVDIKKKFEB-CQSZACIVSA-N 0 2 309.387 1.560 20 30 DDEDLN N#Cc1ccncc1N1CCN(c2cc[nH+]c(C(=O)[O-])c2)CC1 ZINC000593327573 355855266 /nfs/dbraw/zinc/85/52/66/355855266.db2.gz QDRCZHQVOYDOKH-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN N#CC[C@H]1CCCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000598745641 357713372 /nfs/dbraw/zinc/71/33/72/357713372.db2.gz NYFLYYTXGXIBIG-LLVKDONJSA-N 0 2 312.329 1.796 20 30 DDEDLN CC1(c2nc(=NC(=O)CC3(C#N)CCOCC3)s[nH]2)CC1 ZINC000600228703 358163297 /nfs/dbraw/zinc/16/32/97/358163297.db2.gz YUJZPTOQDQZHIE-UHFFFAOYSA-N 0 2 306.391 1.660 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cn(C4CC4)nn3)nc21 ZINC000626349826 367496984 /nfs/dbraw/zinc/49/69/84/367496984.db2.gz UNHKZKRAMGOFPV-JTQLQIEISA-N 0 2 307.317 1.683 20 30 DDEDLN CCc1nnc(NS(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000531449735 269681478 /nfs/dbraw/zinc/68/14/78/269681478.db2.gz CIGHKOKHJJLPIU-UHFFFAOYSA-N 0 2 312.351 1.912 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nc3n(n2)CCCC3)c(F)c1 ZINC000568838461 304314689 /nfs/dbraw/zinc/31/46/89/304314689.db2.gz FSYQYLAKFOPCCL-UHFFFAOYSA-N 0 2 321.337 1.426 20 30 DDEDLN C=CCn1c(=O)c2ccccc2nc1SCc1n[nH]c(=O)[nH]1 ZINC000092869856 407193202 /nfs/dbraw/zinc/19/32/02/407193202.db2.gz QLPGSPFEAZOYSX-UHFFFAOYSA-N 0 2 315.358 1.286 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[n-]c1C#N ZINC000060626010 407226329 /nfs/dbraw/zinc/22/63/29/407226329.db2.gz ZDMMVVAASOUQOS-UHFFFAOYSA-N 0 2 317.312 1.650 20 30 DDEDLN N#C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)C1CC1 ZINC000181059569 407952750 /nfs/dbraw/zinc/95/27/50/407952750.db2.gz PNNHEDFKWDAWDC-GFCCVEGCSA-N 0 2 300.293 1.749 20 30 DDEDLN N#CCCn1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000118941758 407962358 /nfs/dbraw/zinc/96/23/58/407962358.db2.gz ZQBDFGDBEASPSP-UHFFFAOYSA-N 0 2 301.262 1.663 20 30 DDEDLN N#CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000119378858 408054648 /nfs/dbraw/zinc/05/46/48/408054648.db2.gz VXXMXQRQONRFQX-UHFFFAOYSA-N 0 2 322.371 1.197 20 30 DDEDLN C#CCC[NH+]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)CC1 ZINC000273320762 408151912 /nfs/dbraw/zinc/15/19/12/408151912.db2.gz PRUKARPKDWOEAI-UHFFFAOYSA-N 0 2 312.291 1.591 20 30 DDEDLN COCCn1cc(S(=O)(=O)Nc2ccc(CC#N)cc2)cn1 ZINC000269583164 408354915 /nfs/dbraw/zinc/35/49/15/408354915.db2.gz BRHCODCQBPFGSF-UHFFFAOYSA-N 0 2 320.374 1.396 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCC[C@]2(C)CO)cc1C#N ZINC000162161870 408676490 /nfs/dbraw/zinc/67/64/90/408676490.db2.gz HURFFQOTTRWOLL-XHDPSFHLSA-N 0 2 321.402 1.249 20 30 DDEDLN C#CCC(CC#C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000287793352 409093971 /nfs/dbraw/zinc/09/39/71/409093971.db2.gz INSQZUBYLURFSC-UHFFFAOYSA-N 0 2 322.368 1.663 20 30 DDEDLN CCc1nnc(CNS(=O)(=O)c2ccccc2C#N)s1 ZINC000289460374 409276894 /nfs/dbraw/zinc/27/68/94/409276894.db2.gz GXILFMTWLISEJV-UHFFFAOYSA-N 0 2 308.388 1.451 20 30 DDEDLN CNc1ccc(C#N)cc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000357079002 409849737 /nfs/dbraw/zinc/84/97/37/409849737.db2.gz KWBHNKGCVLNNFI-UHFFFAOYSA-N 0 2 313.342 1.667 20 30 DDEDLN Cc1c(NS(=O)(=O)c2ccc(C#N)nc2)cnn1CC(C)C ZINC000346446484 409964101 /nfs/dbraw/zinc/96/41/01/409964101.db2.gz APLKCVWDPOSPOT-UHFFFAOYSA-N 0 2 319.390 1.915 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C)[C@@H](O)C2)cc1C#N ZINC000357995002 410338335 /nfs/dbraw/zinc/33/83/35/410338335.db2.gz NTPPJTDMGGZGMW-KWQFWETISA-N 0 2 307.375 1.224 20 30 DDEDLN COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1C#N ZINC000352013181 410411683 /nfs/dbraw/zinc/41/16/83/410411683.db2.gz HDMZNFBWRDYHEA-DUXPYHPUSA-N 0 2 314.257 1.847 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C#N)ccn1 ZINC000352856308 410680471 /nfs/dbraw/zinc/68/04/71/410680471.db2.gz DFUNQCMRSCVDMB-UHFFFAOYSA-N 0 2 314.326 1.634 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccc(=O)[nH]c2)cc1C#N ZINC000359645792 410790878 /nfs/dbraw/zinc/79/08/78/410790878.db2.gz GJPKTBBDLPNUPI-UHFFFAOYSA-N 0 2 302.315 1.734 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cc(-c2ccncc2)on1 ZINC000359726166 410839435 /nfs/dbraw/zinc/83/94/35/410839435.db2.gz QCOAHXKBGKGBCL-UHFFFAOYSA-N 0 2 320.312 2.461 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCCC[C@@H]2O)cc1C#N ZINC000360551063 418461699 /nfs/dbraw/zinc/46/16/99/418461699.db2.gz RMRVWFHRBSSENF-RYUDHWBXSA-N 0 2 321.402 1.804 20 30 DDEDLN COc1ccnc(NS(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000089641752 418492520 /nfs/dbraw/zinc/49/25/20/418492520.db2.gz PNVPYEORQKPXAM-UHFFFAOYSA-N 0 2 323.761 2.416 20 30 DDEDLN C[C@H]1CC(=[NH+]C([O-])=C2CCN(c3ccc(Cl)cc3)C2=O)NO1 ZINC000372326749 418856142 /nfs/dbraw/zinc/85/61/42/418856142.db2.gz RYQNGTZWUQIBGF-JOYOIKCWSA-N 0 2 321.764 1.931 20 30 DDEDLN Cc1nc2ccc(NS(=O)(=O)c3ccc(C#N)nc3)cn2n1 ZINC000430376031 228902905 /nfs/dbraw/zinc/90/29/05/228902905.db2.gz ZITNFGNPQNYVHF-UHFFFAOYSA-N 0 2 314.330 1.105 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)/C=C/C2CCCC2)c1 ZINC000493819441 420948940 /nfs/dbraw/zinc/94/89/40/420948940.db2.gz JWDNVRSEOSZFIJ-AATRIKPKSA-N 0 2 305.359 1.505 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2noc(C(C)C)n2)cc1C#N ZINC000581048062 421888775 /nfs/dbraw/zinc/88/87/75/421888775.db2.gz BWERCRWFRATMBP-UHFFFAOYSA-N 0 2 307.335 1.569 20 30 DDEDLN C=CC[C@H]1CCN(C(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[nH]2)C1 ZINC000628488373 422195160 /nfs/dbraw/zinc/19/51/60/422195160.db2.gz YDSPQQRUHBRSSW-JTQLQIEISA-N 0 2 314.345 1.783 20 30 DDEDLN N#Cc1ccnc(NS(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000352877838 268299118 /nfs/dbraw/zinc/29/91/18/268299118.db2.gz QYMUUVQFOZVZHH-UHFFFAOYSA-N 0 2 317.326 1.525 20 30 DDEDLN N#Cc1ccc(CC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000538831722 303391028 /nfs/dbraw/zinc/39/10/28/303391028.db2.gz SAQUYIOEXIYJFM-UHFFFAOYSA-N 0 2 311.345 1.331 20 30 DDEDLN C=CC1CCN(C(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[nH]2)CC1 ZINC000174779667 340395829 /nfs/dbraw/zinc/39/58/29/340395829.db2.gz KVHSUSHBMITDAD-UHFFFAOYSA-N 0 2 314.345 1.370 20 30 DDEDLN CC(C)(C)c1nc(=NC(=O)N[C@H](CO)C(C)(C)C)s[nH]1 ZINC000331250399 526854826 /nfs/dbraw/zinc/85/48/26/526854826.db2.gz YVCRTBUNPUDRNW-MRVPVSSYSA-N 0 2 300.428 1.990 20 30 DDEDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)Cc1ccc(C#N)cc1F ZINC000739685804 602869219 /nfs/dbraw/zinc/86/92/19/602869219.db2.gz ZVHNTMMPWPZCNL-UHFFFAOYSA-N 0 2 320.368 1.425 20 30 DDEDLN C=CC[N@@H+](Cc1ccccc1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833376078 604596009 /nfs/dbraw/zinc/59/60/09/604596009.db2.gz MZXDCXPIGBJMIT-CYBMUJFWSA-N 0 2 309.387 1.560 20 30 DDEDLN C=CC[N@H+](Cc1ccccc1C(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833376078 604596013 /nfs/dbraw/zinc/59/60/13/604596013.db2.gz MZXDCXPIGBJMIT-CYBMUJFWSA-N 0 2 309.387 1.560 20 30 DDEDLN C=CC[N@@H+](Cc1ccccc1CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833376497 605075895 /nfs/dbraw/zinc/07/58/95/605075895.db2.gz XFXJFJYVIRLWRY-OAHLLOKOSA-N 0 2 323.414 1.489 20 30 DDEDLN C=CC[N@H+](Cc1ccccc1CC(=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000833376497 605075896 /nfs/dbraw/zinc/07/58/96/605075896.db2.gz XFXJFJYVIRLWRY-OAHLLOKOSA-N 0 2 323.414 1.489 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000833966737 605685319 /nfs/dbraw/zinc/68/53/19/605685319.db2.gz NALAUVCMQKEHQB-WXHSDQCUSA-N 0 2 309.753 1.465 20 30 DDEDLN C[C@H](OC[C@@H]1CCCCO1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000122543238 696722688 /nfs/dbraw/zinc/72/26/88/696722688.db2.gz OEGPKAHLTXEZPL-AVGNSLFASA-N 0 2 319.361 1.286 20 30 DDEDLN COc1cc(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)ccc1C ZINC000122682648 696724190 /nfs/dbraw/zinc/72/41/90/696724190.db2.gz VCSBUMJMYNEKJM-ZDUSSCGKSA-N 0 2 311.341 1.871 20 30 DDEDLN C[C@@H](OCc1ccccc1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000122939341 696727001 /nfs/dbraw/zinc/72/70/01/696727001.db2.gz AEXHWVLOVHNSSB-TZMCWYRMSA-N 0 2 311.341 1.917 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)c1ccn(C2CCCC2)n1 ZINC000122743283 696724595 /nfs/dbraw/zinc/72/45/95/696724595.db2.gz GZSNLVBBZQLODZ-GFCCVEGCSA-N 0 2 311.345 1.937 20 30 DDEDLN O=C1C(=NNc2ncnc3nc[nH]c32)CCN1Cc1ccccc1 ZINC000743438712 699912472 /nfs/dbraw/zinc/91/24/72/699912472.db2.gz PMJWCUVISTXCFE-UHFFFAOYSA-N 0 2 321.344 1.553 20 30 DDEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1cc(CC#N)ccn1 ZINC000758701679 700719434 /nfs/dbraw/zinc/71/94/34/700719434.db2.gz JGGYJPGYIOSZOJ-UHFFFAOYSA-N 0 2 314.267 1.543 20 30 DDEDLN N#Cc1cc(F)cc(C2(C(=O)NOC[C@@H]3CCOC3)CC2)c1 ZINC000803171493 701087151 /nfs/dbraw/zinc/08/71/51/701087151.db2.gz XVLYBPDZDDNSIV-LLVKDONJSA-N 0 2 304.321 1.813 20 30 DDEDLN C[C@@H](C#N)COC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000770931733 701300655 /nfs/dbraw/zinc/30/06/55/701300655.db2.gz JABHEVOMDHPMOF-QMMMGPOBSA-N 0 2 303.343 1.539 20 30 DDEDLN C#CCCCS(=O)(=O)Nc1cccc(F)c1S(C)(=O)=O ZINC000840954334 702292220 /nfs/dbraw/zinc/29/22/20/702292220.db2.gz HKWVYWIUDBWGJS-UHFFFAOYSA-N 0 2 319.379 1.384 20 30 DDEDLN C[C@H]1CCCc2[nH+]cc(C([O-])=C(C#N)C(=O)c3nccn3C)n21 ZINC000845491623 703163783 /nfs/dbraw/zinc/16/37/83/703163783.db2.gz PBMZXXGTZSIGNV-WDEREUQCSA-N 0 2 311.345 1.719 20 30 DDEDLN O=C([O-])COc1ccccc1C=NNCCCn1cc[nH+]c1 ZINC000848419965 703548466 /nfs/dbraw/zinc/54/84/66/703548466.db2.gz LCCSRYAUCSHACN-UHFFFAOYSA-N 0 2 302.334 1.360 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000873644378 704815239 /nfs/dbraw/zinc/81/52/39/704815239.db2.gz WXKOQFFIEBNHJX-GLQYFDAESA-N 0 2 316.357 1.815 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1 ZINC000873644378 704815245 /nfs/dbraw/zinc/81/52/45/704815245.db2.gz WXKOQFFIEBNHJX-GLQYFDAESA-N 0 2 316.357 1.815 20 30 DDEDLN C=C(C)C[C@@H](CO)NC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000882891915 707840444 /nfs/dbraw/zinc/84/04/44/707840444.db2.gz IFWMTMXPKSWYLK-NSHDSACASA-N 0 2 301.346 1.701 20 30 DDEDLN C=CCCn1cc(C[NH2+][C@H]2CCCn3nc(C(=O)[O-])cc32)nn1 ZINC000900074060 709281913 /nfs/dbraw/zinc/28/19/13/709281913.db2.gz ORTQYITYQAZHSH-LBPRGKRZSA-N 0 2 316.365 1.374 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000909778902 709616076 /nfs/dbraw/zinc/61/60/76/709616076.db2.gz BYSLHLLGBQGENN-HNNXBMFYSA-N 0 2 316.357 1.210 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000909778902 709616080 /nfs/dbraw/zinc/61/60/80/709616080.db2.gz BYSLHLLGBQGENN-HNNXBMFYSA-N 0 2 316.357 1.210 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)CNc1ccncc1C#N ZINC001104237291 732736069 /nfs/dbraw/zinc/73/60/69/732736069.db2.gz VSQZQXVWYAJWBK-GZMMTYOYSA-N 0 2 318.274 1.440 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)CNc1ccncc1C#N ZINC001104237291 732736073 /nfs/dbraw/zinc/73/60/73/732736073.db2.gz VSQZQXVWYAJWBK-GZMMTYOYSA-N 0 2 318.274 1.440 20 30 DDEDLN N#Cc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457819 735247944 /nfs/dbraw/zinc/24/79/44/735247944.db2.gz ZLSGQYKABAQRKV-ZDUSSCGKSA-N 0 2 324.388 1.318 20 30 DDEDLN C=C[C@H]1C[C@@]1(NC(=O)c1ccc(F)c(F)c1O)C(=O)OCC ZINC001192810951 745901271 /nfs/dbraw/zinc/90/12/71/745901271.db2.gz MURRIZGMXZVOFA-AYVTZFPOSA-N 0 2 311.284 1.908 20 30 DDEDLN COc1cc(C)c(S(=O)(=O)Nc2cnc(C#N)cn2)c(C)c1 ZINC001196843177 746977957 /nfs/dbraw/zinc/97/79/57/746977957.db2.gz OAOKHWXJGLEWPQ-UHFFFAOYSA-N 0 2 318.358 1.775 20 30 DDEDLN CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001033932927 750154933 /nfs/dbraw/zinc/15/49/33/750154933.db2.gz UQXDUTPPFVUBKV-DLBZAZTESA-N 0 2 321.465 1.042 20 30 DDEDLN N#CCN1CCC2(C1)CCN(C(=O)C(F)C(F)(F)F)CC2 ZINC001035186873 751287575 /nfs/dbraw/zinc/28/75/75/751287575.db2.gz MOHQISAZZLCLEK-SNVBAGLBSA-N 0 2 307.291 1.725 20 30 DDEDLN N#CCN1CCC2(C1)CCN(C(=O)[C@@H](F)C(F)(F)F)CC2 ZINC001035186873 751287579 /nfs/dbraw/zinc/28/75/79/751287579.db2.gz MOHQISAZZLCLEK-SNVBAGLBSA-N 0 2 307.291 1.725 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001015988635 756700243 /nfs/dbraw/zinc/70/02/43/756700243.db2.gz CXTZCBCFMBDZMK-VIFPVBQESA-N 0 2 322.752 1.485 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001015988635 756700246 /nfs/dbraw/zinc/70/02/46/756700246.db2.gz CXTZCBCFMBDZMK-VIFPVBQESA-N 0 2 322.752 1.485 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]21 ZINC001084634940 757724409 /nfs/dbraw/zinc/72/44/09/757724409.db2.gz KUAHHZWEEGWLSL-HSMVNMDESA-N 0 2 319.409 1.145 20 30 DDEDLN C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]21 ZINC001084975782 758115381 /nfs/dbraw/zinc/11/53/81/758115381.db2.gz SVQLDXPIRLENCA-PMPSAXMXSA-N 0 2 314.433 1.554 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001019090250 759577073 /nfs/dbraw/zinc/57/70/73/759577073.db2.gz FLIGSGBBAPRBFG-RKDXNWHRSA-N 0 2 321.274 1.107 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001019090250 759577076 /nfs/dbraw/zinc/57/70/76/759577076.db2.gz FLIGSGBBAPRBFG-RKDXNWHRSA-N 0 2 321.274 1.107 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ncccc1C#N ZINC001098327712 764299624 /nfs/dbraw/zinc/29/96/24/764299624.db2.gz NGFPMEWLTVIRNY-CBAPKCEASA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ncccc1C#N ZINC001098327712 764299628 /nfs/dbraw/zinc/29/96/28/764299628.db2.gz NGFPMEWLTVIRNY-CBAPKCEASA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001098327588 764302923 /nfs/dbraw/zinc/30/29/23/764302923.db2.gz LWRKEXLQDAYAGK-IMTBSYHQSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001098327588 764302938 /nfs/dbraw/zinc/30/29/38/764302938.db2.gz LWRKEXLQDAYAGK-IMTBSYHQSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccnc(C#N)n1 ZINC001113933767 766423547 /nfs/dbraw/zinc/42/35/47/766423547.db2.gz CIWQOZWJZCKEFL-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1ccnc(C#N)n1 ZINC001113933767 766423551 /nfs/dbraw/zinc/42/35/51/766423551.db2.gz CIWQOZWJZCKEFL-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN N#Cc1cccnc1N1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001096490357 770457942 /nfs/dbraw/zinc/45/79/42/770457942.db2.gz APVWFKADKOOMCB-VHSXEESVSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1cccnc1N1CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001096490357 770457950 /nfs/dbraw/zinc/45/79/50/770457950.db2.gz APVWFKADKOOMCB-VHSXEESVSA-N 0 2 316.258 1.549 20 30 DDEDLN C=CC[NH+]1CCN(C(=O)c2cc(=O)n(-c3ccccc3)[n-]2)CC1 ZINC001147883902 773285804 /nfs/dbraw/zinc/28/58/04/773285804.db2.gz BSJOCEVFUQMNEV-UHFFFAOYSA-N 0 2 312.373 1.110 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1ccncc1C#N ZINC001100747838 776495145 /nfs/dbraw/zinc/49/51/45/776495145.db2.gz FQRGMAZHKMDSOE-NSHDSACASA-N 0 2 318.274 1.796 20 30 DDEDLN CCN(CCNC(=O)[C@H](F)C(F)(F)F)c1ccncc1C#N ZINC001100747838 776495152 /nfs/dbraw/zinc/49/51/52/776495152.db2.gz FQRGMAZHKMDSOE-NSHDSACASA-N 0 2 318.274 1.796 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)C(F)C(F)(F)F)CC1 ZINC001412288588 854408876 /nfs/dbraw/zinc/40/88/76/854408876.db2.gz NBWCNKOZVQSSLX-WPRPVWTQSA-N 0 2 323.290 1.496 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001412288588 854408878 /nfs/dbraw/zinc/40/88/78/854408878.db2.gz NBWCNKOZVQSSLX-WPRPVWTQSA-N 0 2 323.290 1.496 20 30 DDEDLN CCCCCCCO[C@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001224617576 881473610 /nfs/dbraw/zinc/47/36/10/881473610.db2.gz QOTJFKUCPFMGOE-CQSZACIVSA-N 0 2 323.455 1.562 20 30 DDEDLN C#CC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1)C(=O)[O-] ZINC001333348018 866656332 /nfs/dbraw/zinc/65/63/32/866656332.db2.gz WGEOKGFQNNKCBS-LSDHHAIUSA-N 0 2 315.373 1.029 20 30 DDEDLN C#CC[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1)C(=O)[O-] ZINC001333348018 866656348 /nfs/dbraw/zinc/65/63/48/866656348.db2.gz WGEOKGFQNNKCBS-LSDHHAIUSA-N 0 2 315.373 1.029 20 30 DDEDLN C#CCCCC(=O)NC[C@@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC001334239958 867416194 /nfs/dbraw/zinc/41/61/94/867416194.db2.gz XWNZMBQVJUOYFE-MWLCHTKSSA-N 0 2 310.291 1.653 20 30 DDEDLN C#CCCCC(=O)NC[C@@H](C)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001334239958 867416198 /nfs/dbraw/zinc/41/61/98/867416198.db2.gz XWNZMBQVJUOYFE-MWLCHTKSSA-N 0 2 310.291 1.653 20 30 DDEDLN C#C[C@H]1CCCCN1c1nnc(-c2c[nH]n(CC)c2=O)n1C ZINC001338487970 870008402 /nfs/dbraw/zinc/00/84/02/870008402.db2.gz MTQFQJQPDNYMGO-NSHDSACASA-N 0 2 300.366 1.396 20 30 DDEDLN CN(Cc1ccc2ccccc2c1)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001306912601 871378359 /nfs/dbraw/zinc/37/83/59/871378359.db2.gz LCOGIHNKJCCNSK-UHFFFAOYSA-N 0 2 320.352 1.735 20 30 DDEDLN C=CC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)C(=O)[O-] ZINC001350769566 875881516 /nfs/dbraw/zinc/88/15/16/875881516.db2.gz SYLSHHXBWKDOMT-CABCVRRESA-N 0 2 317.389 1.582 20 30 DDEDLN C=CC[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)C(=O)[O-] ZINC001350769566 875881524 /nfs/dbraw/zinc/88/15/24/875881524.db2.gz SYLSHHXBWKDOMT-CABCVRRESA-N 0 2 317.389 1.582 20 30 DDEDLN Cc1ccc(Cl)cc1CNc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001413925530 877636517 /nfs/dbraw/zinc/63/65/17/877636517.db2.gz OLCMDPHFIJSBJX-UHFFFAOYSA-N 0 2 304.737 1.519 20 30 DDEDLN Cn1cc(-c2n[nH]cc2C(=O)[C@H](C#N)c2cccc(F)n2)cn1 ZINC001357639624 880107258 /nfs/dbraw/zinc/10/72/58/880107258.db2.gz NFKUQGGDMJROOO-SNVBAGLBSA-N 0 2 310.292 1.834 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)NCc1[nH]c2c([nH+]1)CCCC2 ZINC001363692451 886989710 /nfs/dbraw/zinc/98/97/10/886989710.db2.gz VXCQRAZQUFJVPU-UHFFFAOYSA-N 0 2 311.345 1.499 20 30 DDEDLN COC(=O)c1sccc1S(=O)(=O)Nc1ccnc(C#N)c1 ZINC001259005246 898410661 /nfs/dbraw/zinc/41/06/61/898410661.db2.gz DCCIHVIGTWLZHS-UHFFFAOYSA-N 0 2 323.355 1.024 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001260985226 899315581 /nfs/dbraw/zinc/31/55/81/899315581.db2.gz PTTFYUOQQMOUFW-AWEZNQCLSA-N 0 2 322.386 1.299 20 30 DDEDLN CC(C)C#CC(=O)N[C@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001295866567 916092332 /nfs/dbraw/zinc/09/23/32/916092332.db2.gz FKVLRMBJOSPHRR-KOLCDFICSA-N 0 2 310.291 1.557 20 30 DDEDLN CC(C)C#CC(=O)N[C@H](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001295866567 916092349 /nfs/dbraw/zinc/09/23/49/916092349.db2.gz FKVLRMBJOSPHRR-KOLCDFICSA-N 0 2 310.291 1.557 20 30 DDEDLN C#CCCCCC(=O)NCCN(C)C(=O)C(F)C(F)(F)F ZINC001296041601 916203751 /nfs/dbraw/zinc/20/37/51/916203751.db2.gz DLBAJSXTNSVGCD-NSHDSACASA-N 0 2 310.291 1.655 20 30 DDEDLN C#CCCCCC(=O)NCCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001296041601 916203767 /nfs/dbraw/zinc/20/37/67/916203767.db2.gz DLBAJSXTNSVGCD-NSHDSACASA-N 0 2 310.291 1.655 20 30 DDEDLN CCc1ncc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)cn1 ZINC000153895865 290655946 /nfs/dbraw/zinc/65/59/46/290655946.db2.gz MSYZWPFOZSGCIX-UHFFFAOYSA-N 0 2 315.358 1.573 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000088475557 185252458 /nfs/dbraw/zinc/25/24/58/185252458.db2.gz ILZMHRKKEBDPNY-SNVBAGLBSA-N 0 2 302.377 1.134 20 30 DDEDLN COCCn1cc(NS(=O)(=O)c2ccsc2C#N)cn1 ZINC000593194504 355822414 /nfs/dbraw/zinc/82/24/14/355822414.db2.gz HABJRFZDQCUDQK-UHFFFAOYSA-N 0 2 312.376 1.263 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CO[C@H](C3CC3)C2)cc1C#N ZINC000600518473 358247354 /nfs/dbraw/zinc/24/73/54/358247354.db2.gz GSVDDTMRMAXFPP-PWSUYJOCSA-N 0 2 319.386 1.678 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1C#N ZINC000600443741 358222406 /nfs/dbraw/zinc/22/24/06/358222406.db2.gz IIWYTWJFLNXLTD-XBWDGYHZSA-N 0 2 321.402 1.922 20 30 DDEDLN CC(C)(C)Oc1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)n1 ZINC000600816183 358323597 /nfs/dbraw/zinc/32/35/97/358323597.db2.gz LDQNJADGEZYYEY-UHFFFAOYSA-N 0 2 310.317 1.978 20 30 DDEDLN Cc1[nH]ncc1CN(C)C(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000602172770 358862680 /nfs/dbraw/zinc/86/26/80/358862680.db2.gz LNIYLDYUBPVXLU-HNNXBMFYSA-N 0 2 307.357 1.931 20 30 DDEDLN Cc1c(C#N)cccc1NS(=O)(=O)c1cnn2c1OCCC2 ZINC000603419383 359628666 /nfs/dbraw/zinc/62/86/66/359628666.db2.gz NEOSCPHLEKAZAI-UHFFFAOYSA-N 0 2 318.358 1.647 20 30 DDEDLN COc1ccc2c(c1)OC[C@@H]2CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000340566813 251116440 /nfs/dbraw/zinc/11/64/40/251116440.db2.gz QRENYCRURDLSLX-VIFPVBQESA-N 0 2 323.312 1.666 20 30 DDEDLN CC(=O)N1CCC(C/N=C/c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000105356781 407353736 /nfs/dbraw/zinc/35/37/36/407353736.db2.gz XPYJWPNJLWSRHX-MHWRWJLKSA-N 0 2 305.334 1.978 20 30 DDEDLN C[C@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)NC(=O)C1CCCC1 ZINC000170725543 407483302 /nfs/dbraw/zinc/48/33/02/407483302.db2.gz SHAWHLKUFFVCEN-SECBINFHSA-N 0 2 314.349 1.177 20 30 DDEDLN N#CCN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000275145072 408578878 /nfs/dbraw/zinc/57/88/78/408578878.db2.gz QTMNXJQCZMCROO-LLVKDONJSA-N 0 2 318.333 1.266 20 30 DDEDLN O=C([C@@H](F)C(F)(F)F)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000290051642 409293797 /nfs/dbraw/zinc/29/37/97/409293797.db2.gz MKFLBOZRRDAASR-RXMQYKEDSA-N 0 2 320.168 1.540 20 30 DDEDLN O=C(C(F)C(F)(F)F)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000290051642 409293800 /nfs/dbraw/zinc/29/38/00/409293800.db2.gz MKFLBOZRRDAASR-RXMQYKEDSA-N 0 2 320.168 1.540 20 30 DDEDLN CC1(C)CC[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000408486616 164347367 /nfs/dbraw/zinc/34/73/67/164347367.db2.gz JZMYQFWDDUFCMT-NSHDSACASA-N 0 2 307.375 1.584 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2cncc(C#N)c2)c(C)n1 ZINC000357365248 409998127 /nfs/dbraw/zinc/99/81/27/409998127.db2.gz CIETXDRPYSFTEB-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN CN(C)c1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cn1 ZINC000357374965 410000038 /nfs/dbraw/zinc/00/00/38/410000038.db2.gz UFKYYARYVIZZKN-UHFFFAOYSA-N 0 2 303.347 1.215 20 30 DDEDLN N#Cc1ccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cn1 ZINC000339599453 410317331 /nfs/dbraw/zinc/31/73/31/410317331.db2.gz AODNIVFGKZGTMW-UHFFFAOYSA-N 0 2 308.326 1.541 20 30 DDEDLN C=CCNC(=O)c1ccccc1NS(=O)(=O)N(CC)CC ZINC000352173583 410525124 /nfs/dbraw/zinc/52/51/24/410525124.db2.gz CZGSTMFKXDFETO-UHFFFAOYSA-N 0 2 311.407 1.601 20 30 DDEDLN COc1ccnc(NS(=O)(=O)c2ccc(C#N)cc2C)c1 ZINC000089641937 418492398 /nfs/dbraw/zinc/49/23/98/418492398.db2.gz SJGFDJHSKBTQIC-UHFFFAOYSA-N 0 2 303.343 2.071 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C(N)=O)C(C)(C)C)cc1C#N ZINC000427600637 419690889 /nfs/dbraw/zinc/69/08/89/419690889.db2.gz HOHDPVGUCWLRDP-VIFPVBQESA-N 0 2 322.390 1.011 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2nnc(CC(C)C)o2)cc1C#N ZINC000427741029 419725043 /nfs/dbraw/zinc/72/50/43/419725043.db2.gz BQQHYTBQOARSOM-UHFFFAOYSA-N 0 2 321.362 1.644 20 30 DDEDLN COCc1nc(S(=O)(=O)CCCCC(C)(C)C#N)n[nH]1 ZINC000435690654 420277021 /nfs/dbraw/zinc/27/70/21/420277021.db2.gz BSRLCXHXPWAHFR-UHFFFAOYSA-N 0 2 300.384 1.445 20 30 DDEDLN N#CCCCn1cc(C(=O)NCc2n[nH]c(=O)[nH]2)c2ccccc21 ZINC000444262606 230072298 /nfs/dbraw/zinc/07/22/98/230072298.db2.gz BJYXUPXKNFQIDS-UHFFFAOYSA-N 0 2 324.344 1.699 20 30 DDEDLN N#CC(C(=O)NC1CCCC1)=C([O-])c1[nH+]cc2c(F)cccn21 ZINC000528924709 421525514 /nfs/dbraw/zinc/52/55/14/421525514.db2.gz RMCGHPAKBWJPRH-LLVKDONJSA-N 0 2 314.320 1.855 20 30 DDEDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCSC[C@@H]1C#N ZINC000279690147 280291819 /nfs/dbraw/zinc/29/18/19/280291819.db2.gz IHWGZJBHYPXPTE-IUCAKERBSA-N 0 2 323.340 1.157 20 30 DDEDLN CC1(C)c2cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)ccc2NC1=O ZINC000495184076 281544116 /nfs/dbraw/zinc/54/41/16/281544116.db2.gz MCSSCJJGBMTHJU-UHFFFAOYSA-N 0 2 320.312 1.635 20 30 DDEDLN N#Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)ccc1F ZINC000572143449 304508599 /nfs/dbraw/zinc/50/85/99/304508599.db2.gz ZYLYKTIAVCVQCH-JTQLQIEISA-N 0 2 315.308 1.541 20 30 DDEDLN Cn1nc(NS(=O)(=O)c2ccc(C#N)cc2)cc1C1CC1 ZINC000569866675 308152026 /nfs/dbraw/zinc/15/20/26/308152026.db2.gz UNBCZRIBPWYIKA-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN CCC[C@@H](C)[C@H](CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000576233945 308299648 /nfs/dbraw/zinc/29/96/48/308299648.db2.gz OMNDQDOWNOUTLA-SKDRFNHKSA-N 0 2 323.418 1.908 20 30 DDEDLN N#C[C@]1(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)CC12CCCC2 ZINC000571090072 501030679 /nfs/dbraw/zinc/03/06/79/501030679.db2.gz NJKNZXJTEDKEBP-INIZCTEOSA-N 0 2 315.377 1.690 20 30 DDEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2noc(C)n2)c1 ZINC000351509564 526659390 /nfs/dbraw/zinc/65/93/90/526659390.db2.gz BUSATGGTBPMGBM-UHFFFAOYSA-N 0 2 322.346 1.095 20 30 DDEDLN C#CCN(Cc1ccccc1)S(=O)(=O)NCC(F)(F)F ZINC000491073215 526911111 /nfs/dbraw/zinc/91/11/11/526911111.db2.gz YCZMUFMVAHAOIG-UHFFFAOYSA-N 0 2 306.309 1.519 20 30 DDEDLN C[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940926 601353700 /nfs/dbraw/zinc/35/37/00/601353700.db2.gz MZBVSMMXYBXNFE-KGLIPLIRSA-N 0 2 302.330 1.711 20 30 DDEDLN C[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940926 601353701 /nfs/dbraw/zinc/35/37/01/601353701.db2.gz MZBVSMMXYBXNFE-KGLIPLIRSA-N 0 2 302.330 1.711 20 30 DDEDLN N#CCCCOc1cccc(C[N@@H+]2CCO[C@H](C(=O)[O-])C2)c1 ZINC000821320383 604629411 /nfs/dbraw/zinc/62/94/11/604629411.db2.gz NRGBKHPZWDZSCY-HNNXBMFYSA-N 0 2 304.346 1.655 20 30 DDEDLN N#CCCCOc1cccc(C[N@H+]2CCO[C@H](C(=O)[O-])C2)c1 ZINC000821320383 604629412 /nfs/dbraw/zinc/62/94/12/604629412.db2.gz NRGBKHPZWDZSCY-HNNXBMFYSA-N 0 2 304.346 1.655 20 30 DDEDLN CN(CC[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O)C(=O)[O-] ZINC000833873878 605525779 /nfs/dbraw/zinc/52/57/79/605525779.db2.gz OHIADFAADZIJOP-NSHDSACASA-N 0 2 322.390 1.267 20 30 DDEDLN CN(CC[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O)C(=O)[O-] ZINC000833873878 605525780 /nfs/dbraw/zinc/52/57/80/605525780.db2.gz OHIADFAADZIJOP-NSHDSACASA-N 0 2 322.390 1.267 20 30 DDEDLN C#Cc1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2CNC(=O)[O-])c1 ZINC000823473863 605741614 /nfs/dbraw/zinc/74/16/14/605741614.db2.gz IRZWJVVRDXWKMH-CQSZACIVSA-N 0 2 316.361 1.083 20 30 DDEDLN C#Cc1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2CNC(=O)[O-])c1 ZINC000823473863 605741616 /nfs/dbraw/zinc/74/16/16/605741616.db2.gz IRZWJVVRDXWKMH-CQSZACIVSA-N 0 2 316.361 1.083 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCC(=O)c1ccccc1 ZINC000122590831 696723611 /nfs/dbraw/zinc/72/36/11/696723611.db2.gz FJSBTYDAFMIXCQ-CYBMUJFWSA-N 0 2 309.325 1.975 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1[nH]ncc1F ZINC000984034178 697331298 /nfs/dbraw/zinc/33/12/98/697331298.db2.gz MLAWIJVCKCQSIY-VWYCJHECSA-N 0 2 321.356 1.065 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1COc2ccccc2C1 ZINC000178475624 697425222 /nfs/dbraw/zinc/42/52/22/697425222.db2.gz FGOXTEJLOJWBJW-CHWSQXEVSA-N 0 2 309.325 1.563 20 30 DDEDLN O=[N+]([O-])c1cc(C=NN[C@@H](CO)c2ccccc2)ccc1O ZINC000788467570 699316254 /nfs/dbraw/zinc/31/62/54/699316254.db2.gz DWBNXVXKXCBUJZ-ZDUSSCGKSA-N 0 2 301.302 1.958 20 30 DDEDLN CC(C)(C)/N=C1/NC(=O)C(CC(=O)Nc2cnccn2)S1 ZINC000730814877 699516470 /nfs/dbraw/zinc/51/64/70/699516470.db2.gz FTXNTLLPMRMVST-MRVPVSSYSA-N 0 2 307.379 1.191 20 30 DDEDLN CNC(=O)CC1SC(=Nc2ccsc2)N(C2CC2)C1=O ZINC000790737879 699594896 /nfs/dbraw/zinc/59/48/96/699594896.db2.gz AYKAOPPBXJMWMJ-JTQLQIEISA-N 0 2 309.416 1.978 20 30 DDEDLN CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(C2CC2)C1=O ZINC000790737879 699594899 /nfs/dbraw/zinc/59/48/99/699594899.db2.gz AYKAOPPBXJMWMJ-JTQLQIEISA-N 0 2 309.416 1.978 20 30 DDEDLN N#C[C@@H](C(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cnc2ccccc2n1 ZINC000792108131 699675766 /nfs/dbraw/zinc/67/57/66/699675766.db2.gz IJJKDWVIYJWUEZ-DGCLKSJQSA-N 0 2 320.352 1.817 20 30 DDEDLN C[C@@](C#N)(NC(=O)COC(=O)c1cc(F)c(O)c(F)c1)C1CC1 ZINC000759543701 700757827 /nfs/dbraw/zinc/75/78/27/700757827.db2.gz JWIBKHZHGKGBIJ-HNNXBMFYSA-N 0 2 324.283 1.636 20 30 DDEDLN N#CCOc1cc(F)ccc1NC(=O)CC1SC(=N)NC1=O ZINC000760971797 700832274 /nfs/dbraw/zinc/83/22/74/700832274.db2.gz VRPFELBNGHWJNK-JTQLQIEISA-N 0 2 322.321 1.223 20 30 DDEDLN CSCCNC(=S)NN=Cc1cc([N+](=O)[O-])ccc1O ZINC000769592443 701249781 /nfs/dbraw/zinc/24/97/81/701249781.db2.gz JWJDQFYUZSTDOR-UHFFFAOYSA-N 0 2 314.392 1.461 20 30 DDEDLN CCC(=NNc1nc2c(cnn2C)c(=O)[nH]1)c1cccc(N)c1 ZINC000814848511 701758535 /nfs/dbraw/zinc/75/85/35/701758535.db2.gz VRMAEYBALXUJMH-UHFFFAOYSA-N 0 2 311.349 1.877 20 30 DDEDLN CCC(N=Nc1nc2c(cnn2C)c(=O)[nH]1)c1cccc(N)c1 ZINC000814848511 701758540 /nfs/dbraw/zinc/75/85/40/701758540.db2.gz VRMAEYBALXUJMH-UHFFFAOYSA-N 0 2 311.349 1.877 20 30 DDEDLN CN(C(=O)C(F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000810392822 701763476 /nfs/dbraw/zinc/76/34/76/701763476.db2.gz ACCUULSUPHCUGU-WDSKDSINSA-N 0 2 324.196 1.508 20 30 DDEDLN CN(C(=O)[C@H](F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000810392822 701763480 /nfs/dbraw/zinc/76/34/80/701763480.db2.gz ACCUULSUPHCUGU-WDSKDSINSA-N 0 2 324.196 1.508 20 30 DDEDLN C=C(C)CONC(=O)c1cccc(C(=O)NOCC(=C)C)c1O ZINC000846533351 703292611 /nfs/dbraw/zinc/29/26/11/703292611.db2.gz HWBPHZCRFPOXKP-UHFFFAOYSA-N 0 2 320.345 1.867 20 30 DDEDLN CCOCCCNC(=O)C(C#N)=C([O-])c1[nH+]cc2n1CCCC2 ZINC000870133462 703923090 /nfs/dbraw/zinc/92/30/90/703923090.db2.gz YTDGUZGYDVXUFO-ZDUSSCGKSA-N 0 2 318.377 1.085 20 30 DDEDLN COc1cccc([S@](=O)CC(=O)[C@@H](C#N)C(=O)NC(C)C)c1 ZINC000819943121 704190276 /nfs/dbraw/zinc/19/02/76/704190276.db2.gz OKAGVBBJKDBJHU-MCMMXHMISA-N 0 2 322.386 1.036 20 30 DDEDLN C#CCONC(=O)[C@@]1(C)CC1(Br)Br ZINC000855606022 704493315 /nfs/dbraw/zinc/49/33/15/704493315.db2.gz FLQUVZGFYZFVTD-SSDOTTSWSA-N 0 2 310.973 1.564 20 30 DDEDLN C#CCN(CC#C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000859758745 704997650 /nfs/dbraw/zinc/99/76/50/704997650.db2.gz FTXOKIYRQVWJFM-UHFFFAOYSA-N 0 2 312.247 1.167 20 30 DDEDLN CC(C)[C@@H](C#N)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000860896831 705313490 /nfs/dbraw/zinc/31/34/90/705313490.db2.gz HGSPXGJNFKROIK-SECBINFHSA-N 0 2 317.267 1.736 20 30 DDEDLN CCC(=NNC1=NCC(=O)N1)c1cc(Cl)cc(Cl)c1O ZINC000863174704 705871640 /nfs/dbraw/zinc/87/16/40/705871640.db2.gz ZGOJNSHVGJTGPF-UHFFFAOYSA-N 0 2 315.160 1.889 20 30 DDEDLN C#CC[C@H](CCOC)NC(=O)C1=NN(c2ccccc2)CC1=O ZINC000863781276 706009455 /nfs/dbraw/zinc/00/94/55/706009455.db2.gz KDTCBNUFYWBTGV-CYBMUJFWSA-N 0 2 313.357 1.736 20 30 DDEDLN CO[C@@H](Cc1ccccc1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000835235862 707201876 /nfs/dbraw/zinc/20/18/76/707201876.db2.gz UKSQNOMGKXVKKM-KGLIPLIRSA-N 0 2 311.341 1.569 20 30 DDEDLN C=C(C)C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)[O-] ZINC000909081847 712933629 /nfs/dbraw/zinc/93/36/29/712933629.db2.gz HXQSVYLUZZABHD-QWHCGFSZSA-N 0 2 318.377 1.379 20 30 DDEDLN CN(C)c1ccc(C(=O)[O-])cc1C=[NH+]NC(=S)NC1CC1 ZINC000901138489 709942857 /nfs/dbraw/zinc/94/28/57/709942857.db2.gz PRLIMZCRWGYMNQ-UHFFFAOYSA-N 0 2 306.391 1.411 20 30 DDEDLN C=CCCC[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(=O)[O-] ZINC000910924494 710120627 /nfs/dbraw/zinc/12/06/27/710120627.db2.gz CAATVRGJLMLHIH-ZDUSSCGKSA-N 0 2 305.378 1.688 20 30 DDEDLN C#Cc1ccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1 ZINC000902000190 710198295 /nfs/dbraw/zinc/19/82/95/710198295.db2.gz ZYXLAMPNZFDIAT-CQSZACIVSA-N 0 2 317.370 1.627 20 30 DDEDLN Cc1nc(C)c(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)s1 ZINC000892863269 710514856 /nfs/dbraw/zinc/51/48/56/710514856.db2.gz INNYJNVHMCAJHE-JTQLQIEISA-N 0 2 302.359 1.628 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCN(C)c2ccccc21 ZINC000892863614 710515178 /nfs/dbraw/zinc/51/51/78/710515178.db2.gz NYEJCEOFNPAVCC-UONOGXRCSA-N 0 2 322.368 1.935 20 30 DDEDLN Cn1ncc2c1nc(N=NC1CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]31)[nH]c2=O ZINC000905447636 712039762 /nfs/dbraw/zinc/03/97/62/712039762.db2.gz CHJZXHULAWJDIG-LDDIKCJXSA-N 0 2 314.349 1.282 20 30 DDEDLN CC#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000968461086 719599909 /nfs/dbraw/zinc/59/99/09/719599909.db2.gz ZYRMFJSTPVMZPD-IRXDYDNUSA-N 0 2 305.466 1.568 20 30 DDEDLN C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC000948910302 719781446 /nfs/dbraw/zinc/78/14/46/719781446.db2.gz NLZVYPKYPOEZOT-OAHLLOKOSA-N 0 2 324.384 1.386 20 30 DDEDLN C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC000948910302 719781448 /nfs/dbraw/zinc/78/14/48/719781448.db2.gz NLZVYPKYPOEZOT-OAHLLOKOSA-N 0 2 324.384 1.386 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[nH]1 ZINC001029419592 740748486 /nfs/dbraw/zinc/74/84/86/740748486.db2.gz GURRSIFMYWEXSD-TXEJJXNPSA-N 0 2 319.409 1.288 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N(C)CCCOC ZINC001121496275 782535924 /nfs/dbraw/zinc/53/59/24/782535924.db2.gz BXPJFRLHMRQGKX-UHFFFAOYSA-N 0 2 320.397 1.526 20 30 DDEDLN CN(CCN(C)c1nccnc1C#N)C(=O)C(F)C(F)(F)F ZINC001105589005 742131624 /nfs/dbraw/zinc/13/16/24/742131624.db2.gz FSQMRUQXMCHWCI-SECBINFHSA-N 0 2 319.262 1.143 20 30 DDEDLN CN(CCN(C)c1nccnc1C#N)C(=O)[C@@H](F)C(F)(F)F ZINC001105589005 742131628 /nfs/dbraw/zinc/13/16/28/742131628.db2.gz FSQMRUQXMCHWCI-SECBINFHSA-N 0 2 319.262 1.143 20 30 DDEDLN CN(CCN(C)c1ncccc1C#N)C(=O)C(F)C(F)(F)F ZINC001105589009 742131756 /nfs/dbraw/zinc/13/17/56/742131756.db2.gz FTLWSHSUCROTIG-JTQLQIEISA-N 0 2 318.274 1.748 20 30 DDEDLN CN(CCN(C)c1ncccc1C#N)C(=O)[C@H](F)C(F)(F)F ZINC001105589009 742131757 /nfs/dbraw/zinc/13/17/57/742131757.db2.gz FTLWSHSUCROTIG-JTQLQIEISA-N 0 2 318.274 1.748 20 30 DDEDLN Cc1ccc(C(=NC(=O)c2cc(Br)n[nH]2)NO)nc1 ZINC001193297746 746053096 /nfs/dbraw/zinc/05/30/96/746053096.db2.gz YGSVHNVDLYFFPJ-UHFFFAOYSA-N 0 2 324.138 1.441 20 30 DDEDLN C=CCn1cnc2c1ncnc2NS(=O)(=O)CC1CCC1 ZINC001193480003 746116466 /nfs/dbraw/zinc/11/64/66/746116466.db2.gz NSMZWUDCGNLWOB-UHFFFAOYSA-N 0 2 307.379 1.554 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2ccnn2Br)c1O ZINC001193642819 746160018 /nfs/dbraw/zinc/16/00/18/746160018.db2.gz QTBDDMTYMZEDLU-UHFFFAOYSA-N 0 2 307.107 1.871 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2ccc(F)c(CC#N)c2)[nH]n1 ZINC001194293995 746346652 /nfs/dbraw/zinc/34/66/52/746346652.db2.gz HLIZMPBTIYNZPO-UHFFFAOYSA-N 0 2 302.265 1.654 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2ccc(F)c(CC#N)c2)n[nH]1 ZINC001194293995 746346656 /nfs/dbraw/zinc/34/66/56/746346656.db2.gz HLIZMPBTIYNZPO-UHFFFAOYSA-N 0 2 302.265 1.654 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2C#N)ccn1 ZINC001196647530 746921245 /nfs/dbraw/zinc/92/12/45/746921245.db2.gz GJAQUZKLERYRET-UHFFFAOYSA-N 0 2 318.745 1.701 20 30 DDEDLN Cc1ccc(S(=O)(=O)Nc2ncccc2CO)cc1C#N ZINC001201295095 748467752 /nfs/dbraw/zinc/46/77/52/748467752.db2.gz MFHBVWQJYXDLKN-UHFFFAOYSA-N 0 2 303.343 1.555 20 30 DDEDLN COC(=O)CCCS(=O)(=O)Nc1c(F)cccc1C#N ZINC001201913851 748639945 /nfs/dbraw/zinc/63/99/45/748639945.db2.gz DTFKQEHYKPGLEG-UHFFFAOYSA-N 0 2 300.311 1.392 20 30 DDEDLN C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2Cc1n[nH]c(=O)[nH]1 ZINC001039822248 762231532 /nfs/dbraw/zinc/23/15/32/762231532.db2.gz YAZHVKACMJPWPS-TXEJJXNPSA-N 0 2 319.409 1.288 20 30 DDEDLN C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C2 ZINC001109307562 763558589 /nfs/dbraw/zinc/55/85/89/763558589.db2.gz QRDZBAFYUHTHKK-FZKCQIBNSA-N 0 2 314.433 1.751 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001109635812 763901738 /nfs/dbraw/zinc/90/17/38/763901738.db2.gz SYMZYQUNEPITOM-RNJOBUHISA-N 0 2 319.409 1.334 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001109635812 763901747 /nfs/dbraw/zinc/90/17/47/763901747.db2.gz SYMZYQUNEPITOM-RNJOBUHISA-N 0 2 319.409 1.334 20 30 DDEDLN C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc2c(ccn2C)c[nH+]1 ZINC001171068510 772218690 /nfs/dbraw/zinc/21/86/90/772218690.db2.gz NBPMFTYCMXRGDC-ZDUSSCGKSA-N 0 2 317.393 1.607 20 30 DDEDLN C=CCNc1ncc(C(=O)N[C@@H](C)c2nn(C)cc2O)s1 ZINC001179926448 779541507 /nfs/dbraw/zinc/54/15/07/779541507.db2.gz FQBXTLOSCSILOI-QMMMGPOBSA-N 0 2 307.379 1.671 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2c(C)cnn2C)cc1C#N ZINC001411467507 853163890 /nfs/dbraw/zinc/16/38/90/853163890.db2.gz AOLYULFUEHJEJF-UHFFFAOYSA-N 0 2 303.347 1.675 20 30 DDEDLN CCOc1ccc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)cc1F ZINC001412874479 855745723 /nfs/dbraw/zinc/74/57/23/855745723.db2.gz NEBXCKGSBLQCDW-UHFFFAOYSA-N 0 2 304.281 1.227 20 30 DDEDLN COC(=O)n1ncc(C#N)c1NC(=O)c1cc2cccnc2[nH]1 ZINC001151552839 862841262 /nfs/dbraw/zinc/84/12/62/862841262.db2.gz XUVPHBPIPUADDL-UHFFFAOYSA-N 0 2 310.273 1.498 20 30 DDEDLN C#C[C@H]1CCCN(c2nnc(-c3n[nH]c(Cl)n3)n2CC=C)C1 ZINC001339880608 870758204 /nfs/dbraw/zinc/75/82/04/870758204.db2.gz UQKHYJKBIFGQIO-JTQLQIEISA-N 0 2 317.784 1.752 20 30 DDEDLN CCn1ncc(C(=O)Nc2nc(-c3cccc(C#N)c3)n[nH]2)n1 ZINC001306907616 871377737 /nfs/dbraw/zinc/37/77/37/871377737.db2.gz YEKDIKJBDQBZPD-UHFFFAOYSA-N 0 2 308.305 1.207 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001344467372 873012804 /nfs/dbraw/zinc/01/28/04/873012804.db2.gz YFVMQJCHSQNPBS-OUCADQQQSA-N 0 2 301.346 1.659 20 30 DDEDLN C=CC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1)C(=O)[O-] ZINC001350769569 875881584 /nfs/dbraw/zinc/88/15/84/875881584.db2.gz SYLSHHXBWKDOMT-LSDHHAIUSA-N 0 2 317.389 1.582 20 30 DDEDLN C=CC[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1)C(=O)[O-] ZINC001350769569 875881591 /nfs/dbraw/zinc/88/15/91/875881591.db2.gz SYLSHHXBWKDOMT-LSDHHAIUSA-N 0 2 317.389 1.582 20 30 DDEDLN N#Cc1ccc(Nc2nonc2-c2cn3ccncc3n2)c(N)c1 ZINC001213351318 875904883 /nfs/dbraw/zinc/90/48/83/875904883.db2.gz LCQWNQZBRJDXDP-UHFFFAOYSA-N 0 2 318.300 1.977 20 30 DDEDLN CC#CCCCC(=O)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001353442913 877335522 /nfs/dbraw/zinc/33/55/22/877335522.db2.gz GKSTWKVQAHAGIH-CMPLNLGQSA-N 0 2 322.302 1.798 20 30 DDEDLN CC#CCCCC(=O)N[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001353442913 877335538 /nfs/dbraw/zinc/33/55/38/877335538.db2.gz GKSTWKVQAHAGIH-CMPLNLGQSA-N 0 2 322.302 1.798 20 30 DDEDLN C=CCCCC(=O)N1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001356371205 879019870 /nfs/dbraw/zinc/01/98/70/879019870.db2.gz UVBOKZPRISRREX-CQSZACIVSA-N 0 2 318.421 1.724 20 30 DDEDLN CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1nc(C(=O)OC)c[nH]1 ZINC001230282412 884407596 /nfs/dbraw/zinc/40/75/96/884407596.db2.gz UUNQPATYGUCPNQ-LLVKDONJSA-N 0 2 324.409 1.388 20 30 DDEDLN Cc1cc(F)c(C#N)cc1NC(=O)CC1SC(=N)NC1=O ZINC001363895718 887492370 /nfs/dbraw/zinc/49/23/70/887492370.db2.gz JYXMDDLBEZSDDP-SNVBAGLBSA-N 0 2 306.322 1.501 20 30 DDEDLN Cn1c(=O)[nH]c(N[C@H]2CCCc3cc(C#N)ccc32)c(C#N)c1=O ZINC001364200773 888134526 /nfs/dbraw/zinc/13/45/26/888134526.db2.gz JFVDQKAREMVTMW-AWEZNQCLSA-N 0 2 321.340 1.306 20 30 DDEDLN C#CCCCC(=O)N(C)C[C@@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001289961950 913293391 /nfs/dbraw/zinc/29/33/91/913293391.db2.gz PAZJTBBJTFSNBR-JQWIXIFHSA-N 0 2 322.302 1.750 20 30 DDEDLN C#CCCCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@H](F)C(F)(F)F ZINC001289961950 913293406 /nfs/dbraw/zinc/29/34/06/913293406.db2.gz PAZJTBBJTFSNBR-JQWIXIFHSA-N 0 2 322.302 1.750 20 30 DDEDLN C#Cc1cc(NS(=O)(=O)c2ccccc2C(=O)OC)ccn1 ZINC001253948524 896174679 /nfs/dbraw/zinc/17/46/79/896174679.db2.gz GMVGCFYRYGPPIK-UHFFFAOYSA-N 0 2 316.338 1.072 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2ccc3ncsc3c2)CCC1=O ZINC001259394521 898650453 /nfs/dbraw/zinc/65/04/53/898650453.db2.gz WFXICMSMZOFBJX-SECBINFHSA-N 0 2 321.383 1.400 20 30 DDEDLN C#CCN(C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC(C)C ZINC001263395548 900600460 /nfs/dbraw/zinc/60/04/60/900600460.db2.gz BHVOLWMCZASFBK-UHFFFAOYSA-N 0 2 302.382 1.593 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC001396843250 914580223 /nfs/dbraw/zinc/58/02/23/914580223.db2.gz ONBLCQYNRBZRLS-VXNVDRBHSA-N 0 2 309.263 1.154 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001396843250 914580238 /nfs/dbraw/zinc/58/02/38/914580238.db2.gz ONBLCQYNRBZRLS-VXNVDRBHSA-N 0 2 309.263 1.154 20 30 DDEDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1ccc(C#N)[nH]1 ZINC001296860675 916602614 /nfs/dbraw/zinc/60/26/14/916602614.db2.gz DZRKORZXPCTVJK-UHFFFAOYSA-N 0 2 308.301 1.938 20 30 DDEDLN CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000452000144 231265177 /nfs/dbraw/zinc/26/51/77/231265177.db2.gz UZTZDELMFORYHN-CQSZACIVSA-N 0 2 304.369 1.933 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000076936785 353443387 /nfs/dbraw/zinc/44/33/87/353443387.db2.gz KWQXLUFMKPSLAB-LBPRGKRZSA-N 0 2 310.375 1.878 20 30 DDEDLN N#Cc1cccc(N2CCN(c3cc[nH+]c(C(=O)[O-])c3)CC2)n1 ZINC000593327555 355855334 /nfs/dbraw/zinc/85/53/34/355855334.db2.gz PRNYZRCQEHMFST-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN COCCN(CCC#N)C(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000597136629 357070728 /nfs/dbraw/zinc/07/07/28/357070728.db2.gz YXDCRUZZCPTPIQ-UHFFFAOYSA-N 0 2 316.317 1.032 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC[C@H]2CCCOC2)cc1C#N ZINC000600172678 358145836 /nfs/dbraw/zinc/14/58/36/358145836.db2.gz LXPLNSLIKFDPNL-SNVBAGLBSA-N 0 2 321.402 1.927 20 30 DDEDLN Cc1cc(N2CCC(C(=O)[O-])([S@](C)=O)CC2)c(C#N)c[nH+]1 ZINC000600678109 358280447 /nfs/dbraw/zinc/28/04/47/358280447.db2.gz LSTXIUSQVBXXJC-NRFANRHFSA-N 0 2 307.375 1.064 20 30 DDEDLN Cn1nc(C(=O)[O-])cc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000602066284 358798202 /nfs/dbraw/zinc/79/82/02/358798202.db2.gz LOTIFQGUZVJSDX-UHFFFAOYSA-N 0 2 310.357 1.743 20 30 DDEDLN Cn1nc(C(=O)[O-])cc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000602066284 358798207 /nfs/dbraw/zinc/79/82/07/358798207.db2.gz LOTIFQGUZVJSDX-UHFFFAOYSA-N 0 2 310.357 1.743 20 30 DDEDLN Cc1nc(CN2CC[NH+](Cc3ccc(CC#N)cc3)CC2)n[nH]1 ZINC000612103976 360921262 /nfs/dbraw/zinc/92/12/62/360921262.db2.gz YBYOPAWYKAEFBH-UHFFFAOYSA-N 0 2 310.405 1.497 20 30 DDEDLN Cc1cccc2nc([C@@H](C#N)C(=O)c3cn(C)c(=O)[nH]c3=O)[nH]c21 ZINC000345379268 223344665 /nfs/dbraw/zinc/34/46/65/223344665.db2.gz PVGSUNBUIKJYTC-VIFPVBQESA-N 0 2 323.312 1.161 20 30 DDEDLN CCc1nnc(NS(=O)(=O)c2cnc(C)c(C#N)c2)s1 ZINC000336832106 249243170 /nfs/dbraw/zinc/24/31/70/249243170.db2.gz FCNMZCRRCYHHSF-UHFFFAOYSA-N 0 2 309.376 1.476 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cccc3c2CNC3=O)s1 ZINC000340963436 251306278 /nfs/dbraw/zinc/30/62/78/251306278.db2.gz GGPGEIFZRVBHBW-UHFFFAOYSA-N 0 2 319.367 1.664 20 30 DDEDLN N#Cc1nc(NC(=O)COc2ccc(F)c(Cl)c2)[nH]c1C#N ZINC000047475572 407074780 /nfs/dbraw/zinc/07/47/80/407074780.db2.gz OHKARCJMGOSAJR-UHFFFAOYSA-N 0 2 319.683 1.963 20 30 DDEDLN C=CCn1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1ccncc1 ZINC000092869918 407192712 /nfs/dbraw/zinc/19/27/12/407192712.db2.gz DXSCYJUZRKZOJF-UHFFFAOYSA-N 0 2 315.362 1.230 20 30 DDEDLN COc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)ncn1 ZINC000186619535 407720843 /nfs/dbraw/zinc/72/08/43/407720843.db2.gz STFYJVZNZMAENH-UHFFFAOYSA-N 0 2 324.749 1.811 20 30 DDEDLN C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000171341619 407663104 /nfs/dbraw/zinc/66/31/04/407663104.db2.gz ALSXJYNEEFWOLC-JTQLQIEISA-N 0 2 317.374 1.922 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCOC3(CCC3)C2)cc1C#N ZINC000134202018 407891635 /nfs/dbraw/zinc/89/16/35/407891635.db2.gz VLKLADDRZGJIDK-UHFFFAOYSA-N 0 2 319.386 1.364 20 30 DDEDLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000187963795 407910506 /nfs/dbraw/zinc/91/05/06/407910506.db2.gz TYMXFFMWFZNZDL-LLVKDONJSA-N 0 2 320.374 1.763 20 30 DDEDLN Cc1nc(NS(=O)(=O)c2ccc(C#N)cc2)ccc1[N+](=O)[O-] ZINC000180755782 407915483 /nfs/dbraw/zinc/91/54/83/407915483.db2.gz WITBENZNOXTGCG-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN COc1ccc(/C=C/C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1OC ZINC000192721219 408638348 /nfs/dbraw/zinc/63/83/48/408638348.db2.gz LJMOLCRABAFCFF-GQCTYLIASA-N 0 2 323.312 1.822 20 30 DDEDLN C=C(C)CS(=O)(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000280631554 409388691 /nfs/dbraw/zinc/38/86/91/409388691.db2.gz SZIRQVLAASIVRN-UHFFFAOYSA-N 0 2 322.390 1.379 20 30 DDEDLN CC(C)(C)c1nnc(NS(=O)(=O)c2cncc(C#N)c2)s1 ZINC000357382069 164140438 /nfs/dbraw/zinc/14/04/38/164140438.db2.gz FLIFRKJADYPSFG-UHFFFAOYSA-N 0 2 323.403 1.903 20 30 DDEDLN COc1ccc(C(=O)N=c2[nH][nH]c(C)c2C#N)c(OC(F)F)c1 ZINC000357170643 409921029 /nfs/dbraw/zinc/92/10/29/409921029.db2.gz YLUZHVSOOMMZFA-UHFFFAOYSA-N 0 2 322.271 2.452 20 30 DDEDLN COCc1cnc(NS(=O)(=O)c2cncc(C#N)c2)s1 ZINC000357372522 410000229 /nfs/dbraw/zinc/00/02/29/410000229.db2.gz QCXVLBYTRQIFJM-UHFFFAOYSA-N 0 2 310.360 1.357 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2nnc(-c3ccco3)o2)c1 ZINC000357385104 410002901 /nfs/dbraw/zinc/00/29/01/410002901.db2.gz INDVAHYQCCDHGM-UHFFFAOYSA-N 0 2 317.286 1.397 20 30 DDEDLN COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1C#N ZINC000352013182 410411347 /nfs/dbraw/zinc/41/13/47/410411347.db2.gz HDMZNFBWRDYHEA-RQOWECAXSA-N 0 2 314.257 1.847 20 30 DDEDLN CNC(=O)[C@@H]1CCC[C@@H]1[NH+]=C([O-])NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000329910117 410480943 /nfs/dbraw/zinc/48/09/43/410480943.db2.gz VOKWHVZXGVIAQP-XQQFMLRXSA-N 0 2 319.409 1.704 20 30 DDEDLN C=CCN=c1[n-]nc(SCCC[NH+]2CCOCC2)s1 ZINC000355553159 410577894 /nfs/dbraw/zinc/57/78/94/410577894.db2.gz KOQJBLSXSDBTMM-UHFFFAOYSA-N 0 2 300.453 1.950 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCCOC2)cc1C#N ZINC000330511891 410739636 /nfs/dbraw/zinc/73/96/36/410739636.db2.gz RRBMHEVTYAJSIM-VIFPVBQESA-N 0 2 307.375 1.537 20 30 DDEDLN N#Cc1ccc(NCC(=O)Nc2cc([N+](=O)[O-])ccc2O)nc1 ZINC000356287299 410945685 /nfs/dbraw/zinc/94/56/85/410945685.db2.gz YNQPHBBLISGECM-UHFFFAOYSA-N 0 2 313.273 1.618 20 30 DDEDLN Cn1cc(NS(=O)(=O)c2ccc(C#N)cc2)c(C2CC2)n1 ZINC000291228572 222240218 /nfs/dbraw/zinc/24/02/18/222240218.db2.gz WTBGZNPIXWGZBC-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN C[C@H]1CC(=[NH+]C([O-])=C2CCN(c3cccc(Cl)c3)C2=O)NO1 ZINC000361205155 418605028 /nfs/dbraw/zinc/60/50/28/418605028.db2.gz QIOZYQCKOQYRNZ-CABZTGNLSA-N 0 2 321.764 1.931 20 30 DDEDLN N#CCCn1ccc(NC(=O)c2cc(F)c(F)c(O)c2F)n1 ZINC000349111494 418641561 /nfs/dbraw/zinc/64/15/61/418641561.db2.gz STEWGNJFNZVTPI-UHFFFAOYSA-N 0 2 310.235 2.172 20 30 DDEDLN N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000424140056 228234122 /nfs/dbraw/zinc/23/41/22/228234122.db2.gz SENNYWBLXFUYOA-CQSZACIVSA-N 0 2 306.435 1.413 20 30 DDEDLN CC[C@H](C)[C@](C)(O)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000439506838 420518743 /nfs/dbraw/zinc/51/87/43/420518743.db2.gz SDEIAMZHWAJAKM-BJOHPYRUSA-N 0 2 323.418 1.908 20 30 DDEDLN COC(=O)[C@@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C1CC1 ZINC000439094886 420479643 /nfs/dbraw/zinc/47/96/43/420479643.db2.gz CHZYXWDINYLAEV-JTQLQIEISA-N 0 2 321.358 1.062 20 30 DDEDLN Cc1c(C#N)c(NCCCc2n[nH]c(=O)[nH]2)nc2ccccc12 ZINC000450366077 421189492 /nfs/dbraw/zinc/18/94/92/421189492.db2.gz SJDCYKRZDVRYAW-UHFFFAOYSA-N 0 2 308.345 2.283 20 30 DDEDLN Cc1[nH]c(C#N)cc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000578363341 422556337 /nfs/dbraw/zinc/55/63/37/422556337.db2.gz KRFBPFDRYAXAOE-UHFFFAOYSA-N 0 2 300.322 1.038 20 30 DDEDLN C#C[C@H]1COCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000491672859 277711456 /nfs/dbraw/zinc/71/14/56/277711456.db2.gz YYYBXYRPXKPVDO-LBPRGKRZSA-N 0 2 315.304 1.191 20 30 DDEDLN COc1cncnc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000576916144 308348576 /nfs/dbraw/zinc/34/85/76/308348576.db2.gz PWDFHUXFTIVJKK-UHFFFAOYSA-N 0 2 324.749 1.811 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cnn4c3OCCC4)nc21 ZINC000518287357 332006727 /nfs/dbraw/zinc/00/67/27/332006727.db2.gz AHLIAVRFDPNGBL-SNVBAGLBSA-N 0 2 322.328 1.735 20 30 DDEDLN C=CCOc1cccc(-n2c(O)c(C(=O)OCC)[nH]c2=O)c1 ZINC000445995807 526904872 /nfs/dbraw/zinc/90/48/72/526904872.db2.gz VDJSDFMUFYMODW-GFCCVEGCSA-N 0 2 304.302 1.239 20 30 DDEDLN C#CCN(Cc1ccccc1)C(=O)CSc1n[nH]c(=O)[nH]1 ZINC000491180276 526907805 /nfs/dbraw/zinc/90/78/05/526907805.db2.gz KMCBRDAUWQNUAU-UHFFFAOYSA-N 0 2 302.359 1.264 20 30 DDEDLN C#C[C@@H](NC(=O)CSc1n[nH]c(=O)[nH]1)c1ccc(Cl)cc1 ZINC000491553648 527267294 /nfs/dbraw/zinc/26/72/94/527267294.db2.gz BNOZZGLRERTOMN-SNVBAGLBSA-N 0 2 322.777 1.747 20 30 DDEDLN C=CCn1cccc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000412325776 527378326 /nfs/dbraw/zinc/37/83/26/527378326.db2.gz XXVYAQXJBQJTHR-LLVKDONJSA-N 0 2 301.350 1.518 20 30 DDEDLN C[C@@]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)(C(=O)[O-])C1CC1 ZINC000827740783 601040412 /nfs/dbraw/zinc/04/04/12/601040412.db2.gz BYXVCWPIGIATBV-INIZCTEOSA-N 0 2 312.329 1.951 20 30 DDEDLN COc1cc(C#N)ccc1OCC[N@@H+]1CCN(C(=O)[O-])C[C@H]1C ZINC000739853688 603410983 /nfs/dbraw/zinc/41/09/83/603410983.db2.gz WHQURJZOKZDLDB-GFCCVEGCSA-N 0 2 319.361 1.630 20 30 DDEDLN COc1cc(C#N)ccc1OCC[N@H+]1CCN(C(=O)[O-])C[C@H]1C ZINC000739853688 603410986 /nfs/dbraw/zinc/41/09/86/603410986.db2.gz WHQURJZOKZDLDB-GFCCVEGCSA-N 0 2 319.361 1.630 20 30 DDEDLN Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[O-])c(C#N)c1C ZINC000830957451 603752688 /nfs/dbraw/zinc/75/26/88/603752688.db2.gz PLKSHKDOSFNMRL-MRVPVSSYSA-N 0 2 324.406 1.763 20 30 DDEDLN Cc1sc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[O-])c(C#N)c1C ZINC000830957451 603752691 /nfs/dbraw/zinc/75/26/91/603752691.db2.gz PLKSHKDOSFNMRL-MRVPVSSYSA-N 0 2 324.406 1.763 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000825359752 604597514 /nfs/dbraw/zinc/59/75/14/604597514.db2.gz MNCAZBXJZSSPJB-SWLSCSKDSA-N 0 2 319.361 1.446 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000825359752 604597515 /nfs/dbraw/zinc/59/75/15/604597515.db2.gz MNCAZBXJZSSPJB-SWLSCSKDSA-N 0 2 319.361 1.446 20 30 DDEDLN N#C[C@H]1CN(C(=O)[O-])C[C@H]1[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000833968143 605683565 /nfs/dbraw/zinc/68/35/65/605683565.db2.gz UNERLYVIILFQEN-DZGCQCFKSA-N 0 2 311.345 1.464 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])C[C@H]1[NH2+]CCC(=O)Nc1ccccc1 ZINC000833965599 605684533 /nfs/dbraw/zinc/68/45/33/605684533.db2.gz CCYODYRLGAWPCI-DGCLKSJQSA-N 0 2 302.334 1.107 20 30 DDEDLN C[C@@H]1CCC[C@@H](OCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000122742633 696724786 /nfs/dbraw/zinc/72/47/86/696724786.db2.gz BFVGSWXFFQQGTM-JHJVBQTASA-N 0 2 303.362 1.907 20 30 DDEDLN COCc1ccc(S(=O)(=O)Nc2cnn(CC#N)c2)cc1 ZINC000774615124 697902111 /nfs/dbraw/zinc/90/21/11/697902111.db2.gz IANISNKFZYSWND-UHFFFAOYSA-N 0 2 306.347 1.354 20 30 DDEDLN CC(C)(Oc1ccc(C#N)cc1)C(=O)OCc1n[nH]c(=O)[nH]1 ZINC000774972411 697949713 /nfs/dbraw/zinc/94/97/13/697949713.db2.gz LEDYLKHQTQOMFE-UHFFFAOYSA-N 0 2 302.290 1.283 20 30 DDEDLN Cc1nnc(N[NH+]=Cc2ccc(N(C)C(C)C)nc2)[n-]c1=O ZINC000790148347 699445491 /nfs/dbraw/zinc/44/54/91/699445491.db2.gz HBDRYPQPEBGQJL-UHFFFAOYSA-N 0 2 301.354 1.571 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC000734120214 699637617 /nfs/dbraw/zinc/63/76/17/699637617.db2.gz RJFVQCYCWODHPX-UHFFFAOYSA-N 0 2 301.331 1.388 20 30 DDEDLN CC[C@@H](C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000845720234 703193288 /nfs/dbraw/zinc/19/32/88/703193288.db2.gz JYBBDFQMEUJQFU-RYUDHWBXSA-N 0 2 306.366 1.508 20 30 DDEDLN O=C(NC[C@@H](n1cncn1)C(F)(F)F)C(F)C(F)(F)F ZINC000870324938 703999254 /nfs/dbraw/zinc/99/92/54/703999254.db2.gz CDCVHGYHZYKONK-UHNVWZDZSA-N 0 2 308.157 1.398 20 30 DDEDLN O=C(NC[C@@H](n1cncn1)C(F)(F)F)[C@H](F)C(F)(F)F ZINC000870324938 703999263 /nfs/dbraw/zinc/99/92/63/703999263.db2.gz CDCVHGYHZYKONK-UHNVWZDZSA-N 0 2 308.157 1.398 20 30 DDEDLN C[C@](C#N)(CC(=O)[O-])C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000819835674 704177146 /nfs/dbraw/zinc/17/71/46/704177146.db2.gz WSNABMBADRYZHM-MRXNPFEDSA-N 0 2 316.361 1.171 20 30 DDEDLN O=C(N[C@@H]1CCCN(O)C1=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000820543904 704296842 /nfs/dbraw/zinc/29/68/42/704296842.db2.gz BCYLAFQAMJVJCG-SECBINFHSA-N 0 2 324.287 1.611 20 30 DDEDLN Cc1csc(C(C#N)C(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)n1 ZINC000860449909 705191615 /nfs/dbraw/zinc/19/16/15/705191615.db2.gz ISLNJTFSBMSJNK-JAPZVGMSSA-N 0 2 318.354 1.348 20 30 DDEDLN C[C@H](C#N)N(C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000875755047 705501054 /nfs/dbraw/zinc/50/10/54/705501054.db2.gz CICWTJHEPPVRPI-SSDOTTSWSA-N 0 2 303.240 1.442 20 30 DDEDLN O=C(NCCn1ccc(C(F)(F)F)n1)C(F)C(F)(F)F ZINC000834435893 707053418 /nfs/dbraw/zinc/05/34/18/707053418.db2.gz ILCIHZNUWCILIM-ZCFIWIBFSA-N 0 2 307.169 1.919 20 30 DDEDLN O=C(NCCn1ccc(C(F)(F)F)n1)[C@@H](F)C(F)(F)F ZINC000834435893 707053419 /nfs/dbraw/zinc/05/34/19/707053419.db2.gz ILCIHZNUWCILIM-ZCFIWIBFSA-N 0 2 307.169 1.919 20 30 DDEDLN C=c1[nH]c(=O)[nH]c(=O)c1=C(C)[NH2+]Nc1ccc(C(=O)[O-])cc1 ZINC000839382849 708045473 /nfs/dbraw/zinc/04/54/73/708045473.db2.gz ZNVDYHXIVGFZJO-UHFFFAOYSA-N 0 2 302.290 1.731 20 30 DDEDLN CCN(CC)c1ccc(C=[NH+]Nc2nnc(C)c(=O)[n-]2)c(O)c1 ZINC000916282799 713449697 /nfs/dbraw/zinc/44/96/97/713449697.db2.gz QOVSUQLKJPEGJL-UHFFFAOYSA-N 0 2 316.365 1.883 20 30 DDEDLN C=C(C)C[NH+]1CC(N(CC)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000957131918 715762356 /nfs/dbraw/zinc/76/23/56/715762356.db2.gz CVIDMRXICWJSOC-UHFFFAOYSA-N 0 2 316.361 1.651 20 30 DDEDLN C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC000947919912 719307645 /nfs/dbraw/zinc/30/76/45/719307645.db2.gz AQJODNALASNMAU-CABCVRRESA-N 0 2 323.400 1.483 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)CNc1ccncc1C#N ZINC001104237292 732736405 /nfs/dbraw/zinc/73/64/05/732736405.db2.gz VSQZQXVWYAJWBK-KCJUWKMLSA-N 0 2 318.274 1.440 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)CNc1ccncc1C#N ZINC001104237292 732736409 /nfs/dbraw/zinc/73/64/09/732736409.db2.gz VSQZQXVWYAJWBK-KCJUWKMLSA-N 0 2 318.274 1.440 20 30 DDEDLN C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)C(F)C(F)(F)F ZINC001104846962 737275963 /nfs/dbraw/zinc/27/59/63/737275963.db2.gz ATSNMJXCUFMHNM-XVKPBYJWSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001104846962 737275966 /nfs/dbraw/zinc/27/59/66/737275966.db2.gz ATSNMJXCUFMHNM-XVKPBYJWSA-N 0 2 319.262 1.507 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001121497442 782536962 /nfs/dbraw/zinc/53/69/62/782536962.db2.gz RQAWXDLUKWHDJD-VXGBXAGGSA-N 0 2 314.393 1.899 20 30 DDEDLN CC[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001103340967 743924234 /nfs/dbraw/zinc/92/42/34/743924234.db2.gz QIDODDHOIQLFJX-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001103340967 743924235 /nfs/dbraw/zinc/92/42/35/743924235.db2.gz QIDODDHOIQLFJX-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN COC(=O)c1ccc(O)c(C(=O)N/C=C/C(=O)C(F)(F)F)c1 ZINC001192395940 745783486 /nfs/dbraw/zinc/78/34/86/745783486.db2.gz JXCKVDGYIQSKNR-SNAWJCMRSA-N 0 2 317.219 1.554 20 30 DDEDLN C[C@H](CCNc1cncc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001106603271 745826318 /nfs/dbraw/zinc/82/63/18/745826318.db2.gz IFEXYWXSKSFXHP-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNc1cncc(C#N)n1)NC(=O)[C@H](F)C(F)(F)F ZINC001106603271 745826325 /nfs/dbraw/zinc/82/63/25/745826325.db2.gz IFEXYWXSKSFXHP-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN COC(=O)C1(C#N)CCN(C(=O)c2c(F)ccc(F)c2O)CC1 ZINC001192706780 745875059 /nfs/dbraw/zinc/87/50/59/745875059.db2.gz NKTQBLSIVQTIBJ-UHFFFAOYSA-N 0 2 324.283 1.589 20 30 DDEDLN C[C@@H](C#N)S(=O)(=O)Nc1cnc(Br)c(F)c1 ZINC001193112916 745982802 /nfs/dbraw/zinc/98/28/02/745982802.db2.gz WOBKPVBVUVSECW-YFKPBYRVSA-N 0 2 308.132 1.637 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2nc3n[nH]cc3c(Cl)n2)c1O ZINC001193642520 746160052 /nfs/dbraw/zinc/16/00/52/746160052.db2.gz HOTBCWQKTNKLMP-UHFFFAOYSA-N 0 2 314.692 1.836 20 30 DDEDLN N#Cc1nc(NCC(=O)c2ccc(O)c(O)c2)cc2[nH]cnc21 ZINC001170316215 766246239 /nfs/dbraw/zinc/24/62/39/766246239.db2.gz CJRCBDSNHBGBQD-UHFFFAOYSA-N 0 2 309.285 1.536 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1cnc(C#N)cn1 ZINC001113933855 766423610 /nfs/dbraw/zinc/42/36/10/766423610.db2.gz FIIRPYHXVLPCAO-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1cnc(C#N)cn1 ZINC001113933855 766423613 /nfs/dbraw/zinc/42/36/13/766423613.db2.gz FIIRPYHXVLPCAO-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001071807001 770105433 /nfs/dbraw/zinc/10/54/33/770105433.db2.gz LGETXIXTRKKDCV-RYUDHWBXSA-N 0 2 319.409 1.336 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@H+](Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001071807001 770105436 /nfs/dbraw/zinc/10/54/36/770105436.db2.gz LGETXIXTRKKDCV-RYUDHWBXSA-N 0 2 319.409 1.336 20 30 DDEDLN O=C(CCS)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001143985909 772360750 /nfs/dbraw/zinc/36/07/50/772360750.db2.gz YTAAZZKYLHCWRN-UHFFFAOYSA-N 0 2 317.330 1.232 20 30 DDEDLN N#Cc1ccc(NCCCNC(=O)C(F)C(F)(F)F)nc1 ZINC001094846462 776500324 /nfs/dbraw/zinc/50/03/24/776500324.db2.gz SBMCGPYDDAGYCL-SNVBAGLBSA-N 0 2 304.247 1.772 20 30 DDEDLN N#Cc1ccc(NCCCNC(=O)[C@@H](F)C(F)(F)F)nc1 ZINC001094846462 776500327 /nfs/dbraw/zinc/50/03/27/776500327.db2.gz SBMCGPYDDAGYCL-SNVBAGLBSA-N 0 2 304.247 1.772 20 30 DDEDLN COC(=O)[C@H](CCC(=O)[O-])[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172303349 776743242 /nfs/dbraw/zinc/74/32/42/776743242.db2.gz XCGZVSNCQBTSPJ-FZMZJTMJSA-N 0 2 304.346 1.485 20 30 DDEDLN Cc1[nH+]c[nH]c1CC(=O)NCC1(Nc2cc(C)ncc2C#N)CC1 ZINC001110195314 778134152 /nfs/dbraw/zinc/13/41/52/778134152.db2.gz BAAMTWJZIJLHSB-UHFFFAOYSA-N 0 2 324.388 1.019 20 30 DDEDLN CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H](C#N)Cc1cccs1 ZINC001177912261 778781571 /nfs/dbraw/zinc/78/15/71/778781571.db2.gz NFBKYLGQSGLMLZ-YPMHNXCESA-N 0 2 322.386 1.221 20 30 DDEDLN CN(CCNCC(F)(F)C(F)F)C(=O)[C@@H](F)C(F)(F)F ZINC001267375315 837941743 /nfs/dbraw/zinc/94/17/43/837941743.db2.gz DMZXOSXQTNQFOT-RXMQYKEDSA-N 0 2 316.192 1.835 20 30 DDEDLN CN(CCNCC(F)(F)C(F)F)C(=O)C(F)C(F)(F)F ZINC001267375315 837941739 /nfs/dbraw/zinc/94/17/39/837941739.db2.gz DMZXOSXQTNQFOT-RXMQYKEDSA-N 0 2 316.192 1.835 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001267613680 838468863 /nfs/dbraw/zinc/46/88/63/838468863.db2.gz PSVCBECSQTTZDJ-LLVKDONJSA-N 0 2 307.398 1.193 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2nn(C)cc2C#N)cc1C#N ZINC001411304599 850636424 /nfs/dbraw/zinc/63/64/24/850636424.db2.gz VTIBOCSLOIVSLZ-UHFFFAOYSA-N 0 2 314.330 1.238 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1cnc(C#N)cn1 ZINC001095758821 855322065 /nfs/dbraw/zinc/32/20/65/855322065.db2.gz ZEMKNOZDEKGFHM-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN CN(CCCNC(=O)[C@H](F)C(F)(F)F)c1cnc(C#N)cn1 ZINC001095758821 855322072 /nfs/dbraw/zinc/32/20/72/855322072.db2.gz ZEMKNOZDEKGFHM-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1[nH]nc2c1C[C@@H](C)CC2 ZINC001156119972 862735440 /nfs/dbraw/zinc/73/54/40/862735440.db2.gz NXIFLOCHAADSNY-QWHCGFSZSA-N 0 2 302.422 1.608 20 30 DDEDLN CCn1c(C(O)=C(C#N)C(=O)NCCOC)cc2ccccc21 ZINC001122706392 858943850 /nfs/dbraw/zinc/94/38/50/858943850.db2.gz IPEIQPWFMMRRIQ-ZDUSSCGKSA-N 0 2 313.357 1.746 20 30 DDEDLN N#Cc1ccsc1C(=O)Nc1ccc(O)c(S(N)(=O)=O)c1 ZINC001153032473 863668474 /nfs/dbraw/zinc/66/84/74/863668474.db2.gz DBABAZZLDSIFIC-UHFFFAOYSA-N 0 2 323.355 1.225 20 30 DDEDLN Cn1c(=O)[nH]c(NCCC[C@@H]2CC2(Cl)Cl)c(C#N)c1=O ZINC001336664576 870977526 /nfs/dbraw/zinc/97/75/26/870977526.db2.gz IIDVPNQIOHUURE-SSDOTTSWSA-N 0 2 317.176 1.331 20 30 DDEDLN CCN(CCCNC(=O)C(F)C(F)(F)F)C(=O)C#CC(C)C ZINC001352195221 876643142 /nfs/dbraw/zinc/64/31/42/876643142.db2.gz FOUGHOVYLRWNGX-LBPRGKRZSA-N 0 2 324.318 1.901 20 30 DDEDLN CCN(CCCNC(=O)[C@H](F)C(F)(F)F)C(=O)C#CC(C)C ZINC001352195221 876643146 /nfs/dbraw/zinc/64/31/46/876643146.db2.gz FOUGHOVYLRWNGX-LBPRGKRZSA-N 0 2 324.318 1.901 20 30 DDEDLN COc1ccc(OC)c(/C(=N/O)O[C@H]2CCS(=O)(=O)C2)c1 ZINC001223893062 881136506 /nfs/dbraw/zinc/13/65/06/881136506.db2.gz QBYYJMYNRAQEPM-DZOVYVGFSA-N 0 2 315.347 1.043 20 30 DDEDLN C=CCOCC(COCC=C)Oc1[nH]c(=O)nc2ncn(C)c21 ZINC001228676705 883612828 /nfs/dbraw/zinc/61/28/28/883612828.db2.gz KZCLGXLFGDCYJS-UHFFFAOYSA-N 0 2 320.349 1.222 20 30 DDEDLN COC(=O)c1cc(Br)c(O)c(CN(C)CC#N)c1 ZINC001233308061 886913562 /nfs/dbraw/zinc/91/35/62/886913562.db2.gz ATJQBELYSJNYCJ-UHFFFAOYSA-N 0 2 313.151 1.897 20 30 DDEDLN Cc1cc(=O)c2c(OC3CN(CCC#N)C3)cc(O)cc2o1 ZINC001234821602 888210068 /nfs/dbraw/zinc/21/00/68/888210068.db2.gz VDKUSDOILUKDCG-UHFFFAOYSA-N 0 2 300.314 1.784 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC001251512906 894716238 /nfs/dbraw/zinc/71/62/38/894716238.db2.gz FTXSXAOJPNETAP-GFCCVEGCSA-N 0 2 310.375 1.345 20 30 DDEDLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C#N)nc1 ZINC001253956514 896182604 /nfs/dbraw/zinc/18/26/04/896182604.db2.gz SGPAYTQMCMSBHY-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1ccc(C(N)=O)cc1O ZINC001258290295 898129339 /nfs/dbraw/zinc/12/93/39/898129339.db2.gz NXEONEYWYLXXDA-UHFFFAOYSA-N 0 2 317.326 1.164 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)CCC1=O ZINC001259498541 898701567 /nfs/dbraw/zinc/70/15/67/898701567.db2.gz HZBYFQSJOUTLKC-SSDOTTSWSA-N 0 2 318.276 1.207 20 30 DDEDLN Cn1cnc(NS(=O)(=O)Cc2cccc(Cl)c2)c1C#N ZINC001260828762 899278927 /nfs/dbraw/zinc/27/89/27/899278927.db2.gz ZVLDIMDZPWLIMW-UHFFFAOYSA-N 0 2 310.766 1.887 20 30 DDEDLN C=CC(C)(C)C(=O)N1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001284971725 909859184 /nfs/dbraw/zinc/85/91/84/909859184.db2.gz JCSILRKXTKXCBJ-SECBINFHSA-N 0 2 310.291 1.674 20 30 DDEDLN C=CC(C)(C)C(=O)N1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001284971725 909859192 /nfs/dbraw/zinc/85/91/92/909859192.db2.gz JCSILRKXTKXCBJ-SECBINFHSA-N 0 2 310.291 1.674 20 30 DDEDLN CC[C@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)[C@H](O)C(C)C ZINC000412752111 529558358 /nfs/dbraw/zinc/55/83/58/529558358.db2.gz OAJSARJGGFZFGW-NWDGAFQWSA-N 0 2 323.418 1.906 20 30 DDEDLN C=C(C)C[C@H](Nc1nc(C2CCOCC2)ns1)C(=O)OC ZINC000601227463 358455925 /nfs/dbraw/zinc/45/59/25/358455925.db2.gz OUDNMXCWJRZGFN-NSHDSACASA-N 0 2 311.407 1.774 20 30 DDEDLN CC(C)c1c(C(=O)NC2=NC(=O)CN2)cnn1-c1ccccn1 ZINC000050222961 352565027 /nfs/dbraw/zinc/56/50/27/352565027.db2.gz WLHIHMLEIKSZNP-UHFFFAOYSA-N 0 2 312.333 1.181 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC[C@H]2CCCO2)cc1C#N ZINC000073718536 353267066 /nfs/dbraw/zinc/26/70/66/353267066.db2.gz SEBXLMLGWJTHGB-SNVBAGLBSA-N 0 2 307.375 1.680 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c(O)c1 ZINC000223874036 354315630 /nfs/dbraw/zinc/31/56/30/354315630.db2.gz CPNWCTSVBWDHGT-UHFFFAOYSA-N 0 2 305.315 1.468 20 30 DDEDLN N#CCc1cccc(S(=O)(=O)Nc2ncc(C(N)=O)s2)c1 ZINC000589585719 355003029 /nfs/dbraw/zinc/00/30/29/355003029.db2.gz JIJQWBDRNBNZIU-UHFFFAOYSA-N 0 2 322.371 1.109 20 30 DDEDLN COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000565549013 304075867 /nfs/dbraw/zinc/07/58/67/304075867.db2.gz KYKVZJLWMFSIMS-INIZCTEOSA-N 0 2 303.406 1.076 20 30 DDEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)C1(COC)CC1 ZINC000603417427 359627606 /nfs/dbraw/zinc/62/76/06/359627606.db2.gz ZLLDRZPZEWXTHA-UHFFFAOYSA-N 0 2 310.375 1.878 20 30 DDEDLN C[C@@]1(C#N)CCCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000612397505 360997167 /nfs/dbraw/zinc/99/71/67/360997167.db2.gz YOGRZMSVRGEFCS-INIZCTEOSA-N 0 2 312.329 1.796 20 30 DDEDLN C#CCOc1ccccc1CNC(=O)CNC(=O)CC(C)(C)C ZINC000265231847 204470555 /nfs/dbraw/zinc/47/05/55/204470555.db2.gz HNLHXFXDDNKADB-UHFFFAOYSA-N 0 2 316.401 1.867 20 30 DDEDLN N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1F ZINC000569167893 304339505 /nfs/dbraw/zinc/33/95/05/304339505.db2.gz KIDPWCUETNBURH-GFCCVEGCSA-N 0 2 301.325 1.901 20 30 DDEDLN N#Cc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1F ZINC000569167893 304339506 /nfs/dbraw/zinc/33/95/06/304339506.db2.gz KIDPWCUETNBURH-GFCCVEGCSA-N 0 2 301.325 1.901 20 30 DDEDLN O=C1CCC(=O)N1CCC/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000105935555 407358248 /nfs/dbraw/zinc/35/82/48/407358248.db2.gz XKOBSJUSTDXQOQ-OQLLNIDSSA-N 0 2 305.290 1.258 20 30 DDEDLN CN(C(=O)Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O)C1CC1 ZINC000153474431 407832644 /nfs/dbraw/zinc/83/26/44/407832644.db2.gz GERKYIILVPPWIH-UHFFFAOYSA-N 0 2 304.394 1.963 20 30 DDEDLN CC(C)(C)[C@@H](C#N)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000267985480 407857947 /nfs/dbraw/zinc/85/79/47/407857947.db2.gz JHSOGZDTLRQXPG-SECBINFHSA-N 0 2 301.306 1.104 20 30 DDEDLN CO[C@]1(C)C[C@H](NS(=O)(=O)c2cncc(C#N)c2)C1(C)C ZINC000289457007 409276476 /nfs/dbraw/zinc/27/64/76/409276476.db2.gz LOXUZRGBSDYEBV-GXTWGEPZSA-N 0 2 309.391 1.435 20 30 DDEDLN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000290231632 409330088 /nfs/dbraw/zinc/33/00/88/409330088.db2.gz XZHPTOLZPDZWJC-UHFFFAOYSA-N 0 2 323.238 1.315 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000315315800 164019000 /nfs/dbraw/zinc/01/90/00/164019000.db2.gz LMAOAWDLBYSBEB-UHFFFAOYSA-N 0 2 304.287 1.662 20 30 DDEDLN COc1ccc(F)cc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000357066207 409831903 /nfs/dbraw/zinc/83/19/03/409831903.db2.gz CAYLKDVCYSXHGH-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C#N)ccn1 ZINC000352876136 410684081 /nfs/dbraw/zinc/68/40/81/410684081.db2.gz KHGGCIFEFLGOAI-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN CSc1c(C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)cnn1C ZINC000359727035 410837757 /nfs/dbraw/zinc/83/77/57/410837757.db2.gz SGTRHXOVGDBCRU-UHFFFAOYSA-N 0 2 302.363 1.866 20 30 DDEDLN C#CCC[NH+]1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000368114854 418691432 /nfs/dbraw/zinc/69/14/32/418691432.db2.gz JYLFUVYJIAHKMV-QGZVFWFLSA-N 0 2 309.429 1.366 20 30 DDEDLN COCc1ccccc1S(=O)(=O)Nc1c(C#N)cnn1C ZINC000438250361 420447408 /nfs/dbraw/zinc/44/74/08/420447408.db2.gz SSAHALAWHQXXGV-UHFFFAOYSA-N 0 2 306.347 1.239 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)NC(=O)/C=C\c2ccsc2)cn1 ZINC000492724628 420642417 /nfs/dbraw/zinc/64/24/17/420642417.db2.gz ZOIREQUCRTXQHK-RJRFIUFISA-N 0 2 319.367 1.533 20 30 DDEDLN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000567181352 421611071 /nfs/dbraw/zinc/61/10/71/421611071.db2.gz RGTZPQVILNCXEW-NHYWBVRUSA-N 0 2 315.377 1.521 20 30 DDEDLN C=CCN1CC[C@H]([N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])C1=O ZINC000662233445 424495550 /nfs/dbraw/zinc/49/55/50/424495550.db2.gz DQONTYFVHVGWFN-LSDHHAIUSA-N 0 2 300.358 1.457 20 30 DDEDLN C=CCN1CC[C@H]([N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])C1=O ZINC000662233445 424495555 /nfs/dbraw/zinc/49/55/55/424495555.db2.gz DQONTYFVHVGWFN-LSDHHAIUSA-N 0 2 300.358 1.457 20 30 DDEDLN N#Cc1ccnc(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1Cl ZINC000343159377 268291581 /nfs/dbraw/zinc/29/15/81/268291581.db2.gz PTIWIRKSSZUVMG-SECBINFHSA-N 0 2 304.741 1.814 20 30 DDEDLN N#Cc1nc(NC(=O)[C@H]2CCN(c3ccccc3)C2)[nH]c1C#N ZINC000578427125 308460547 /nfs/dbraw/zinc/46/05/47/308460547.db2.gz BRPRQGGUGSEBCU-NSHDSACASA-N 0 2 306.329 1.618 20 30 DDEDLN COc1cccc(S(O)=CC(=O)NCC(C)(C)CC#N)c1 ZINC000424891333 533809700 /nfs/dbraw/zinc/80/97/00/533809700.db2.gz JPBFYFZUENVMGO-NRFANRHFSA-N 0 2 308.403 1.859 20 30 DDEDLN N#CCNC(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000739085832 599928511 /nfs/dbraw/zinc/92/85/11/599928511.db2.gz LBFXVFFUKXUIMU-NSHDSACASA-N 0 2 315.251 1.060 20 30 DDEDLN CC(C)[N@H+](CC(=O)[O-])Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000820019913 600991293 /nfs/dbraw/zinc/99/12/93/600991293.db2.gz UFWUONGDFSNLFC-UHFFFAOYSA-N 0 2 300.318 1.903 20 30 DDEDLN CC(C)[N@@H+](CC(=O)[O-])Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000820019913 600991295 /nfs/dbraw/zinc/99/12/95/600991295.db2.gz UFWUONGDFSNLFC-UHFFFAOYSA-N 0 2 300.318 1.903 20 30 DDEDLN C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000738619125 602819454 /nfs/dbraw/zinc/81/94/54/602819454.db2.gz KVFKZHJGXDFDEP-CYBMUJFWSA-N 0 2 322.409 1.403 20 30 DDEDLN C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000738619125 602819456 /nfs/dbraw/zinc/81/94/56/602819456.db2.gz KVFKZHJGXDFDEP-CYBMUJFWSA-N 0 2 322.409 1.403 20 30 DDEDLN C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1NC(=O)[O-] ZINC000739175308 603411843 /nfs/dbraw/zinc/41/18/43/603411843.db2.gz KIPHQOFETNTJGV-HONMWMINSA-N 0 2 316.361 1.063 20 30 DDEDLN C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1NC(=O)[O-] ZINC000739175308 603411845 /nfs/dbraw/zinc/41/18/45/603411845.db2.gz KIPHQOFETNTJGV-HONMWMINSA-N 0 2 316.361 1.063 20 30 DDEDLN Cc1ccc(S(=O)(=O)Nc2ncc(C#N)s2)cc1C(N)=O ZINC000610725290 659181877 /nfs/dbraw/zinc/18/18/77/659181877.db2.gz SNVNZYGHRAMCKV-UHFFFAOYSA-N 0 2 322.371 1.223 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)COc1ccc2c(c1)CCC2 ZINC000123291248 696730509 /nfs/dbraw/zinc/73/05/09/696730509.db2.gz QFCZMAXZLHAKBU-HNNXBMFYSA-N 0 2 323.352 1.879 20 30 DDEDLN C#CCCCNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000185478286 697519023 /nfs/dbraw/zinc/51/90/23/697519023.db2.gz AURJNHMEUYJOBE-UHFFFAOYSA-N 0 2 313.361 1.596 20 30 DDEDLN CCOc1cccc(S(=O)(=O)Nc2cnn(CC#N)c2)c1 ZINC000799919629 700174954 /nfs/dbraw/zinc/17/49/54/700174954.db2.gz IIKIJRIYSNLUCJ-UHFFFAOYSA-N 0 2 306.347 1.606 20 30 DDEDLN COc1cccc(OC)c1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC000775276560 697978122 /nfs/dbraw/zinc/97/81/22/697978122.db2.gz XWOHAIKAFNYURG-UHFFFAOYSA-N 0 2 322.346 1.225 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N/Cc2nnnn2-c2ccccc2)c1 ZINC000730434654 699510402 /nfs/dbraw/zinc/51/04/02/699510402.db2.gz QDAXLCPKHVHSFA-CXUHLZMHSA-N 0 2 324.300 1.895 20 30 DDEDLN CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000742526517 699880851 /nfs/dbraw/zinc/88/08/51/699880851.db2.gz BFGBUPQNVUEWSC-NSHDSACASA-N 0 2 302.359 1.073 20 30 DDEDLN CCN1c2ccc(C)cc2C(=NNc2nccnc2OC)C1=O ZINC000763425515 700937658 /nfs/dbraw/zinc/93/76/58/700937658.db2.gz KJRCARSGBFZDIW-UHFFFAOYSA-N 0 2 311.345 1.976 20 30 DDEDLN C=CCN(C(=O)C(F)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000764418985 700970165 /nfs/dbraw/zinc/97/01/65/700970165.db2.gz SFLWLBHADIBUSZ-YUMQZZPRSA-N 0 2 303.277 1.089 20 30 DDEDLN C=CCN(C(=O)[C@H](F)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000764418985 700970167 /nfs/dbraw/zinc/97/01/67/700970167.db2.gz SFLWLBHADIBUSZ-YUMQZZPRSA-N 0 2 303.277 1.089 20 30 DDEDLN C[C@@H](Oc1ccc(C#N)cc1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770866564 701298323 /nfs/dbraw/zinc/29/83/23/701298323.db2.gz UBJSGHDTZJHLCU-BXUZGUMPSA-N 0 2 322.324 1.651 20 30 DDEDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(c2ncc(C#N)cc2F)C1 ZINC000866282824 706664115 /nfs/dbraw/zinc/66/41/15/706664115.db2.gz OMEKINIHGPIUEW-GFCCVEGCSA-N 0 2 316.258 1.740 20 30 DDEDLN CCc1ccc(C#CC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000843877872 702937107 /nfs/dbraw/zinc/93/71/07/702937107.db2.gz JGIJYTPMEYFSCY-HNNXBMFYSA-N 0 2 324.384 1.830 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N/Cc2ncc3c(n2)CCOC3)c1 ZINC000844272015 703002207 /nfs/dbraw/zinc/00/22/07/703002207.db2.gz UCJQSJHWKVCGHL-OMCISZLKSA-N 0 2 314.301 1.782 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000870244309 703971452 /nfs/dbraw/zinc/97/14/52/703971452.db2.gz XDASHLURKOCLSE-YNEHKIRRSA-N 0 2 301.346 1.374 20 30 DDEDLN C[C@@H]1C[C@@H]1/N=C1/NC(=O)[C@H](CC(=O)NCc2ccccc2)S1 ZINC000864345343 706143303 /nfs/dbraw/zinc/14/33/03/706143303.db2.gz UGGOUGDAOYZNOS-WXHSDQCUSA-N 0 2 317.414 1.689 20 30 DDEDLN CC(C)[C@@H](CO)ONC(=O)CSCc1ccc(C#N)cc1 ZINC000836901950 707547314 /nfs/dbraw/zinc/54/73/14/707547314.db2.gz XKRXIVGIPBYVEZ-CQSZACIVSA-N 0 2 308.403 1.856 20 30 DDEDLN Cn1nc(CNC(=O)C(F)C(F)(F)F)cc1C(F)(F)F ZINC000890013501 709706752 /nfs/dbraw/zinc/70/67/52/709706752.db2.gz SHYWFMIPEZTMLP-LURJTMIESA-N 0 2 307.169 1.956 20 30 DDEDLN Cn1nc(CNC(=O)[C@H](F)C(F)(F)F)cc1C(F)(F)F ZINC000890013501 709706754 /nfs/dbraw/zinc/70/67/54/709706754.db2.gz SHYWFMIPEZTMLP-LURJTMIESA-N 0 2 307.169 1.956 20 30 DDEDLN C=CCCC[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(=O)[O-] ZINC000910924301 710120762 /nfs/dbraw/zinc/12/07/62/710120762.db2.gz ZIGSPQQHJJQZSX-LSDHHAIUSA-N 0 2 324.421 1.556 20 30 DDEDLN C=CCCC[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(=O)[O-] ZINC000910924301 710120765 /nfs/dbraw/zinc/12/07/65/710120765.db2.gz ZIGSPQQHJJQZSX-LSDHHAIUSA-N 0 2 324.421 1.556 20 30 DDEDLN N#Cc1ccc(F)c(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1 ZINC001190608179 745271103 /nfs/dbraw/zinc/27/11/03/745271103.db2.gz KPKVHPJDLXEAHS-UHFFFAOYSA-N 0 2 319.317 1.597 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2cn(C)nc2C#N)cnc1Cl ZINC001192534132 745824403 /nfs/dbraw/zinc/82/44/03/745824403.db2.gz WGARCUVRJBYYBD-UHFFFAOYSA-N 0 2 311.754 1.449 20 30 DDEDLN C[C@H](CCNc1ccncc1C#N)NC(=O)C(F)C(F)(F)F ZINC001106604406 745827488 /nfs/dbraw/zinc/82/74/88/745827488.db2.gz YYLMRGQRKIVZDJ-LDYMZIIASA-N 0 2 318.274 1.582 20 30 DDEDLN C[C@H](CCNc1ccncc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001106604406 745827494 /nfs/dbraw/zinc/82/74/94/745827494.db2.gz YYLMRGQRKIVZDJ-LDYMZIIASA-N 0 2 318.274 1.582 20 30 DDEDLN N#Cc1cc(C(=O)Nc2[nH]c(=O)[nH]c(=O)c2N=O)ccc1O ZINC001193499873 746121591 /nfs/dbraw/zinc/12/15/91/746121591.db2.gz WTHYMBCKJBZTEM-UHFFFAOYSA-N 0 2 301.218 1.115 20 30 DDEDLN COc1cc(C#N)cc(NS(=O)(=O)c2cccnc2OC)c1 ZINC001194719475 746449415 /nfs/dbraw/zinc/44/94/15/746449415.db2.gz CTBIWEORCYMPJW-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001097106357 771625702 /nfs/dbraw/zinc/62/57/02/771625702.db2.gz PHDDNWZGBWUABY-ZKWXMUAHSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1nccnc1N[C@H]1C[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001097106357 771625704 /nfs/dbraw/zinc/62/57/04/771625704.db2.gz PHDDNWZGBWUABY-ZKWXMUAHSA-N 0 2 317.246 1.308 20 30 DDEDLN C[N@@H+]1CCO[C@]2(CCCN(C(=O)CCC(=O)C3=CC=C[CH]3)C2)C1 ZINC001272094522 844595490 /nfs/dbraw/zinc/59/54/90/844595490.db2.gz WWMQZKXNAGTEHV-GOSISDBHSA-N 0 2 317.409 1.359 20 30 DDEDLN C[N@H+]1CCO[C@]2(CCCN(C(=O)CCC(=O)C3=CC=C[CH]3)C2)C1 ZINC001272094522 844595496 /nfs/dbraw/zinc/59/54/96/844595496.db2.gz WWMQZKXNAGTEHV-GOSISDBHSA-N 0 2 317.409 1.359 20 30 DDEDLN C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149632585 861766706 /nfs/dbraw/zinc/76/67/06/861766706.db2.gz UAHSLALNKTWHIG-AWEZNQCLSA-N 0 2 306.410 1.126 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2cc(C)ncn2)cc1C#N ZINC001361301292 881411840 /nfs/dbraw/zinc/41/18/40/881411840.db2.gz MIJHSGLQTDJGLG-UHFFFAOYSA-N 0 2 301.331 1.732 20 30 DDEDLN C=CCCn1cc(C[N@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)nn1 ZINC001334780002 867826095 /nfs/dbraw/zinc/82/60/95/867826095.db2.gz RPLPENNQKMRZDW-LBPRGKRZSA-N 0 2 318.299 1.693 20 30 DDEDLN C=CCCn1cc(C[N@@H+]2CC[C@](C(=O)[O-])(C(F)(F)F)C2)nn1 ZINC001334780002 867826103 /nfs/dbraw/zinc/82/61/03/867826103.db2.gz RPLPENNQKMRZDW-LBPRGKRZSA-N 0 2 318.299 1.693 20 30 DDEDLN C[C@@H](CNC(=O)C#CC(C)(C)C)NC(=O)C(F)C(F)(F)F ZINC001298795557 870731495 /nfs/dbraw/zinc/73/14/95/870731495.db2.gz MLRXDFDZTHWJCZ-WPRPVWTQSA-N 0 2 310.291 1.557 20 30 DDEDLN C[C@@H](CNC(=O)C#CC(C)(C)C)NC(=O)[C@H](F)C(F)(F)F ZINC001298795557 870731507 /nfs/dbraw/zinc/73/15/07/870731507.db2.gz MLRXDFDZTHWJCZ-WPRPVWTQSA-N 0 2 310.291 1.557 20 30 DDEDLN C#C[C@@H](Oc1[nH]c(=O)nc2c(=O)[nH]c(=O)[nH]c21)c1ccccc1 ZINC001226888318 882703765 /nfs/dbraw/zinc/70/37/65/882703765.db2.gz OVBYLNVVVWWGHP-SECBINFHSA-N 0 2 310.269 1.290 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H](C)CNC(=O)C(F)C(F)(F)F)C1 ZINC001354458884 877996156 /nfs/dbraw/zinc/99/61/56/877996156.db2.gz KGUSGRZTSXHGRG-BDAKNGLRSA-N 0 2 310.291 1.864 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H](C)CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001354458884 877996167 /nfs/dbraw/zinc/99/61/67/877996167.db2.gz KGUSGRZTSXHGRG-BDAKNGLRSA-N 0 2 310.291 1.864 20 30 DDEDLN COc1ccc(OC)c(/C(=N/O)O[C@H]2CO[C@H]3OCC[C@@H]23)c1 ZINC001223893693 881137878 /nfs/dbraw/zinc/13/78/78/881137878.db2.gz ZJKUYNNJQHJPBZ-XBOKQMDFSA-N 0 2 309.318 1.618 20 30 DDEDLN CC#C[C@H](CC)Oc1nc(I)cc(=O)[nH]1 ZINC001228948993 883744747 /nfs/dbraw/zinc/74/47/47/883744747.db2.gz FWXRUGZOLCQUHM-ZETCQYMHSA-N 0 2 318.114 1.968 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)N1C[C@H](CO)c2ccccc21 ZINC001362898010 884917414 /nfs/dbraw/zinc/91/74/14/884917414.db2.gz BQSPDOLTZBPGEP-GFCCVEGCSA-N 0 2 309.325 1.704 20 30 DDEDLN COC[C@@H]1Cn2ccnc2C[N@H+](Cc2ccc(C#N)cc2O)C1 ZINC001233385077 886967300 /nfs/dbraw/zinc/96/73/00/886967300.db2.gz UCWCMMQNMLBLST-AWEZNQCLSA-N 0 2 312.373 1.739 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1cccc(F)c1CO ZINC001258278957 898124803 /nfs/dbraw/zinc/12/48/03/898124803.db2.gz OTCJTEJTLIMZQG-UHFFFAOYSA-N 0 2 306.318 1.990 20 30 DDEDLN CCOC(=O)C(C#N)NS(=O)(=O)c1cccc(Cl)c1F ZINC001259471967 898688057 /nfs/dbraw/zinc/68/80/57/898688057.db2.gz BTSMKMWCGUXFPK-QMMMGPOBSA-N 0 2 320.729 1.213 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1cccc(Cl)c1F ZINC001259471967 898688062 /nfs/dbraw/zinc/68/80/62/898688062.db2.gz BTSMKMWCGUXFPK-QMMMGPOBSA-N 0 2 320.729 1.213 20 30 DDEDLN C[C@@H](NC(=O)C(F)C(F)(F)F)C1CN(C(=O)C#CC2CC2)C1 ZINC001280635401 903868882 /nfs/dbraw/zinc/86/88/82/903868882.db2.gz HWQPXOZTCLFJOF-PRHODGIISA-N 0 2 320.286 1.263 20 30 DDEDLN C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1CN(C(=O)C#CC2CC2)C1 ZINC001280635401 903868899 /nfs/dbraw/zinc/86/88/99/903868899.db2.gz HWQPXOZTCLFJOF-PRHODGIISA-N 0 2 320.286 1.263 20 30 DDEDLN C=C[C@](C)(CC)C(=O)NC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001284941440 909779676 /nfs/dbraw/zinc/77/96/76/909779676.db2.gz RGTICRRUQCLBKA-JOYOIKCWSA-N 0 2 310.291 1.816 20 30 DDEDLN C=C[C@](C)(CC)C(=O)NC1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001284941440 909779688 /nfs/dbraw/zinc/77/96/88/909779688.db2.gz RGTICRRUQCLBKA-JOYOIKCWSA-N 0 2 310.291 1.816 20 30 DDEDLN C=CC(C)(C)C(=O)N(CC)CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001296350083 916351873 /nfs/dbraw/zinc/35/18/73/916351873.db2.gz GUFUJELEJNLGFQ-UHFFFAOYSA-N 0 2 306.410 1.438 20 30 DDEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)c1cnc(C)n1C ZINC000600648801 358275295 /nfs/dbraw/zinc/27/52/95/358275295.db2.gz UXIKVWUWWDLYME-UHFFFAOYSA-N 0 2 320.374 1.800 20 30 DDEDLN N#Cc1nc(NC(=O)COc2ccc([N+](=O)[O-])cc2)[nH]c1C#N ZINC000026274903 248183290 /nfs/dbraw/zinc/18/32/90/248183290.db2.gz AEOPNCHHGKQTLJ-UHFFFAOYSA-N 0 2 312.245 1.079 20 30 DDEDLN C=CCOc1ccc(C[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000066115304 184390540 /nfs/dbraw/zinc/39/05/40/184390540.db2.gz QTYYEDVPEUTZSQ-CQSZACIVSA-N 0 2 304.346 1.027 20 30 DDEDLN C=CCOc1ccc(C[N@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1 ZINC000066115304 184390542 /nfs/dbraw/zinc/39/05/42/184390542.db2.gz QTYYEDVPEUTZSQ-CQSZACIVSA-N 0 2 304.346 1.027 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCO[C@@H](C(C)C)C2)cc1C#N ZINC000330743959 533076589 /nfs/dbraw/zinc/07/65/89/533076589.db2.gz RSPKAUAWEYYNBO-GFCCVEGCSA-N 0 2 321.402 1.878 20 30 DDEDLN N#Cc1ncc(C(F)(F)F)cc1NCCCc1n[nH]c(=O)[nH]1 ZINC000413178390 224149542 /nfs/dbraw/zinc/14/95/42/224149542.db2.gz WVJXLAJSSGTPHL-UHFFFAOYSA-N 0 2 312.255 1.840 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCCn2cccn2)cc1C#N ZINC000030165114 406930258 /nfs/dbraw/zinc/93/02/58/406930258.db2.gz QCGVZRLATHWKMP-UHFFFAOYSA-N 0 2 317.374 1.397 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)[nH]c1C#N ZINC000030861348 406935491 /nfs/dbraw/zinc/93/54/91/406935491.db2.gz VQFJQWDOJRFAQG-UHFFFAOYSA-N 0 2 321.275 1.730 20 30 DDEDLN C=CC[C@H](CO)NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000185947042 407548936 /nfs/dbraw/zinc/54/89/36/407548936.db2.gz VXARXNBUDGXCHI-LLVKDONJSA-N 0 2 317.345 1.253 20 30 DDEDLN CCc1cc(NS(=O)(=O)c2cc(C#N)ccc2C)n(C)n1 ZINC000116602863 407764732 /nfs/dbraw/zinc/76/47/32/407764732.db2.gz DNIDHPQIJCNHFV-UHFFFAOYSA-N 0 2 304.375 1.963 20 30 DDEDLN CCCNC(=O)c1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000155705503 408199634 /nfs/dbraw/zinc/19/96/34/408199634.db2.gz RPMYQBLONGJPGX-UHFFFAOYSA-N 0 2 322.328 1.545 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2nn[nH]c2c1 ZINC000177827778 408724132 /nfs/dbraw/zinc/72/41/32/408724132.db2.gz HMTXOMVMMLCSKL-UHFFFAOYSA-N 0 2 313.342 1.939 20 30 DDEDLN C=CCNc1ncc(C(=O)NN2C(=O)N[C@@](C)(CC)C2=O)s1 ZINC000278940982 409117081 /nfs/dbraw/zinc/11/70/81/409117081.db2.gz YDNAXWJGJYLELA-ZDUSSCGKSA-N 0 2 323.378 1.106 20 30 DDEDLN N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)nc1 ZINC000293839837 409190840 /nfs/dbraw/zinc/19/08/40/409190840.db2.gz WKTYWUONKPGKEY-MWLCHTKSSA-N 0 2 317.242 1.833 20 30 DDEDLN N#Cc1ccc(O[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)nc1 ZINC000293839837 409190842 /nfs/dbraw/zinc/19/08/42/409190842.db2.gz WKTYWUONKPGKEY-MWLCHTKSSA-N 0 2 317.242 1.833 20 30 DDEDLN Cc1cc(S(=O)(=O)N2CCn3cncc3C2)ccc1C#N ZINC000289460274 409276021 /nfs/dbraw/zinc/27/60/21/409276021.db2.gz GLQPFXPVUGPIFJ-UHFFFAOYSA-N 0 2 302.359 1.268 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2ccc(F)cc2O)cc1C#N ZINC000314448898 164014832 /nfs/dbraw/zinc/01/48/32/164014832.db2.gz BJIGRSSWBRDTOZ-UHFFFAOYSA-N 0 2 307.306 1.907 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(C#N)nc2)c(OC)c1 ZINC000318401136 164031905 /nfs/dbraw/zinc/03/19/05/164031905.db2.gz FFDCSBKLQPZDJF-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@](C)(C(N)=O)C(C)C)cc1C#N ZINC000341981000 409528901 /nfs/dbraw/zinc/52/89/01/409528901.db2.gz IAOJKSCUBVCIBF-CQSZACIVSA-N 0 2 322.390 1.011 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@H](C)Cn2ncc3ccccc32)c1C#N ZINC000357236201 409948823 /nfs/dbraw/zinc/94/88/23/409948823.db2.gz YMFRCFPMHKWSNF-SNVBAGLBSA-N 0 2 308.345 2.214 20 30 DDEDLN COc1cncc(S(=O)(=O)Nc2ccc(C#N)c(F)c2)c1 ZINC000357467196 410054240 /nfs/dbraw/zinc/05/42/40/410054240.db2.gz HMAUNEPSTMMICK-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN Cn1ncc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1C#N ZINC000358927171 410539601 /nfs/dbraw/zinc/53/96/01/410539601.db2.gz GYDNQUCGWHJQLR-UHFFFAOYSA-N 0 2 311.280 1.468 20 30 DDEDLN Cc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)nn1[C@H](C)C1CC1 ZINC000347936476 410800495 /nfs/dbraw/zinc/80/04/95/410800495.db2.gz MWBCSYLMLINYSC-SECBINFHSA-N 0 2 309.333 1.881 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2cnn(CC(F)F)c2)s1 ZINC000614493276 416688760 /nfs/dbraw/zinc/68/87/60/416688760.db2.gz DMPJBNGZXBMVHX-UHFFFAOYSA-N 0 2 319.318 1.277 20 30 DDEDLN COc1cncc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)n1 ZINC000361193280 418601965 /nfs/dbraw/zinc/60/19/65/418601965.db2.gz BSMREJJKILCDHU-JTQLQIEISA-N 0 2 312.333 1.293 20 30 DDEDLN COc1cncc(C(=O)C(C#N)c2nnc3n2CCCCC3)n1 ZINC000361193280 418601967 /nfs/dbraw/zinc/60/19/67/418601967.db2.gz BSMREJJKILCDHU-JTQLQIEISA-N 0 2 312.333 1.293 20 30 DDEDLN C[C@H]1CC(=[NH+]C([O-])=C2CCN(c3ccc(Cl)cc3)C2=O)NO1 ZINC000372326748 418855761 /nfs/dbraw/zinc/85/57/61/418855761.db2.gz RYQNGTZWUQIBGF-CABZTGNLSA-N 0 2 321.764 1.931 20 30 DDEDLN Cc1ccc(N2CCC(=C([O-])[NH+]=C3C[C@H](C)ON3)C2=O)cc1 ZINC000372326847 418856294 /nfs/dbraw/zinc/85/62/94/418856294.db2.gz VYHXMQNUKAOZOH-AAEUAGOBSA-N 0 2 301.346 1.586 20 30 DDEDLN N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000424140050 228234368 /nfs/dbraw/zinc/23/43/68/228234368.db2.gz SENNYWBLXFUYOA-AWEZNQCLSA-N 0 2 306.435 1.413 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@]2(C#N)CC2(C)C)cc1C#N ZINC000427884477 419762965 /nfs/dbraw/zinc/76/29/65/419762965.db2.gz INXMSTSBGAPKLJ-CQSZACIVSA-N 0 2 302.359 1.803 20 30 DDEDLN Cc1nc2ccc(NS(=O)(=O)c3ccccc3C#N)cn2n1 ZINC000430361759 420111715 /nfs/dbraw/zinc/11/17/15/420111715.db2.gz ZYJAJJRAPVFDTR-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN N#CCN1CCC[C@H](CNC(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000436540370 420339025 /nfs/dbraw/zinc/33/90/25/420339025.db2.gz YTKVVPRQOMZMOJ-SNVBAGLBSA-N 0 2 309.316 1.636 20 30 DDEDLN N#Cc1cccc(C=CC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000492345714 420529837 /nfs/dbraw/zinc/52/98/37/420529837.db2.gz YADMNNOBQOMLKK-SNAWJCMRSA-N 0 2 323.356 1.801 20 30 DDEDLN CC[C@@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1[nH]cc[nH+]1 ZINC000442804667 420719785 /nfs/dbraw/zinc/71/97/85/420719785.db2.gz XENKCYGJCXNPJQ-SNVBAGLBSA-N 0 2 317.374 1.985 20 30 DDEDLN N#Cc1nc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)[nH]c1C#N ZINC000355307602 268324230 /nfs/dbraw/zinc/32/42/30/268324230.db2.gz HLASCMWPVQWHBL-UHFFFAOYSA-N 0 2 321.256 1.795 20 30 DDEDLN C=CCOCCNC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000679586363 485930798 /nfs/dbraw/zinc/93/07/98/485930798.db2.gz OASAPJMQHSEHDS-UHFFFAOYSA-N 0 2 305.309 1.649 20 30 DDEDLN C#CCNC(=O)C1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000491069836 526965920 /nfs/dbraw/zinc/96/59/20/526965920.db2.gz YWMOPFUBWZMKDB-UHFFFAOYSA-N 0 2 322.311 1.272 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1c[nH]cc(Br)c1=O ZINC000416945971 529270694 /nfs/dbraw/zinc/27/06/94/529270694.db2.gz FQCWJIPUHZBLND-LURJTMIESA-N 0 2 320.168 1.181 20 30 DDEDLN C[C@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001120845985 782182638 /nfs/dbraw/zinc/18/26/38/782182638.db2.gz UBCKPXCJKRVWFJ-LDYMZIIASA-N 0 2 318.274 1.534 20 30 DDEDLN C[C@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001120845985 782182643 /nfs/dbraw/zinc/18/26/43/782182643.db2.gz UBCKPXCJKRVWFJ-LDYMZIIASA-N 0 2 318.274 1.534 20 30 DDEDLN C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C(=O)[O-] ZINC000830884005 601004430 /nfs/dbraw/zinc/00/44/30/601004430.db2.gz YOWCUYHZJFDXMG-UHFFFAOYSA-N 0 2 300.318 1.903 20 30 DDEDLN C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C(=O)[O-] ZINC000830884005 601004433 /nfs/dbraw/zinc/00/44/33/601004433.db2.gz YOWCUYHZJFDXMG-UHFFFAOYSA-N 0 2 300.318 1.903 20 30 DDEDLN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738633082 605913056 /nfs/dbraw/zinc/91/30/56/605913056.db2.gz VQNPUZMIGIHVBU-GWCFXTLKSA-N 0 2 302.334 1.227 20 30 DDEDLN C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738633082 605913059 /nfs/dbraw/zinc/91/30/59/605913059.db2.gz VQNPUZMIGIHVBU-GWCFXTLKSA-N 0 2 302.334 1.227 20 30 DDEDLN COCCc1ccc(S(=O)(=O)Nc2cnn(CC#N)c2)cc1 ZINC000747406343 700068293 /nfs/dbraw/zinc/06/82/93/700068293.db2.gz CXEYJVMOFMHHOS-UHFFFAOYSA-N 0 2 320.374 1.396 20 30 DDEDLN O=c1c2ccccc2ncn1N=Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000748132851 700101419 /nfs/dbraw/zinc/10/14/19/700101419.db2.gz GAXRBUMNSACEMI-UHFFFAOYSA-N 0 2 310.269 1.893 20 30 DDEDLN C#CCSCCNC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000176303569 697403723 /nfs/dbraw/zinc/40/37/23/697403723.db2.gz HTZKSRAYZKKZGL-UHFFFAOYSA-N 0 2 319.361 1.813 20 30 DDEDLN Cn1cc(/C=C/C(=O)c2cc(Cl)ccc2O)c(=O)n(C)c1=O ZINC000176955800 697407817 /nfs/dbraw/zinc/40/78/17/697407817.db2.gz GQZJSVSTECEUFW-HWKANZROSA-N 0 2 320.732 1.339 20 30 DDEDLN C#C[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC=C)c2=O ZINC000185368543 697517382 /nfs/dbraw/zinc/51/73/82/697517382.db2.gz QEOLMYKOALCBLE-SNVBAGLBSA-N 0 2 313.382 1.623 20 30 DDEDLN Cc1nn(-c2ccccc2)c(N)c1C=[NH+]Nc1nnc(C)c(=O)[n-]1 ZINC000794871899 699833733 /nfs/dbraw/zinc/83/37/33/699833733.db2.gz PLRYSLARCHJDOR-UHFFFAOYSA-N 0 2 324.348 1.408 20 30 DDEDLN C#C[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccc(F)cc1 ZINC000794897294 699834511 /nfs/dbraw/zinc/83/45/11/699834511.db2.gz WRPFOQPAYBOXRL-WDEREUQCSA-N 0 2 305.334 1.173 20 30 DDEDLN CCOc1ccc(C#N)cc1NC(=O)CC1SC(=N)NC1=O ZINC000742581240 699882542 /nfs/dbraw/zinc/88/25/42/699882542.db2.gz PNQBADZHXFLJOT-NSHDSACASA-N 0 2 318.358 1.452 20 30 DDEDLN N#CCCN(Cc1ccco1)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000742604654 699883248 /nfs/dbraw/zinc/88/32/48/699883248.db2.gz VCFDSKKHNVAZAL-JTQLQIEISA-N 0 2 306.347 1.078 20 30 DDEDLN C[C@@H](NC(=S)NN=Cc1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000751531646 700297420 /nfs/dbraw/zinc/29/74/20/700297420.db2.gz NAIPFQCTESJEFX-MRVPVSSYSA-N 0 2 308.363 1.897 20 30 DDEDLN Cn1ncc(NS(=O)(=O)c2ccc(C#N)cc2)c1C1CC1 ZINC000769871144 701259928 /nfs/dbraw/zinc/25/99/28/701259928.db2.gz YFRXNFWCRHICDA-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN C#CC[C@@H](CO)NC(=O)C1=NN(c2ccccc2CC)CC1=O ZINC000816671936 702141155 /nfs/dbraw/zinc/14/11/55/702141155.db2.gz LPIFQQACRIYWLU-ZDUSSCGKSA-N 0 2 313.357 1.254 20 30 DDEDLN CN1CC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)S1(=O)=O ZINC000842693600 702758052 /nfs/dbraw/zinc/75/80/52/702758052.db2.gz IIVKAMHOZCURGO-SKDRFNHKSA-N 0 2 319.342 1.038 20 30 DDEDLN CN1CC[C@@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)S1(=O)=O ZINC000842693600 702758054 /nfs/dbraw/zinc/75/80/54/702758054.db2.gz IIVKAMHOZCURGO-SKDRFNHKSA-N 0 2 319.342 1.038 20 30 DDEDLN CCc1noc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)n1 ZINC000820801475 704332885 /nfs/dbraw/zinc/33/28/85/704332885.db2.gz ONKWVCAQEAYMGI-UHFFFAOYSA-N 0 2 312.738 1.958 20 30 DDEDLN CC(C)[C@H](CO)ONC(=O)CSCc1ccc(C#N)cc1 ZINC000836901945 707547331 /nfs/dbraw/zinc/54/73/31/707547331.db2.gz XKRXIVGIPBYVEZ-AWEZNQCLSA-N 0 2 308.403 1.856 20 30 DDEDLN Cn1ncc2c1nc(N=NC1CC[C@H]3COCC[C@@H]3C1)[nH]c2=O ZINC000901197272 709963919 /nfs/dbraw/zinc/96/39/19/709963919.db2.gz WAAMCRGHJQEZLT-ZJUUUORDSA-N 0 2 316.365 1.673 20 30 DDEDLN O=C(C[C@@H]1S/C(=N/C[C@H]2CCCS2)NC1=O)NC1CC1 ZINC000905000077 711908478 /nfs/dbraw/zinc/90/84/78/711908478.db2.gz QTTGGZRWWANNKI-ZJUUUORDSA-N 0 2 313.448 1.138 20 30 DDEDLN CCC[C@@H](C#N)NS(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000906059867 712233434 /nfs/dbraw/zinc/23/34/34/712233434.db2.gz BKJYAODAOHOJEF-WLRWDXFRSA-N 0 2 321.468 1.944 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1[nH]nc(C)c1[O-] ZINC001025220236 736370701 /nfs/dbraw/zinc/37/07/01/736370701.db2.gz CKZBYRSLNLITEL-UONOGXRCSA-N 0 2 316.405 1.516 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1[nH]nc(C)c1[O-] ZINC001025220236 736370703 /nfs/dbraw/zinc/37/07/03/736370703.db2.gz CKZBYRSLNLITEL-UONOGXRCSA-N 0 2 316.405 1.516 20 30 DDEDLN N#Cc1ccc(N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)nn1 ZINC001059097833 739935350 /nfs/dbraw/zinc/93/53/50/739935350.db2.gz QUMATONCOICVFH-WPRPVWTQSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)nn1 ZINC001059097833 739935353 /nfs/dbraw/zinc/93/53/53/739935353.db2.gz QUMATONCOICVFH-WPRPVWTQSA-N 0 2 317.246 1.261 20 30 DDEDLN CN(CCNc1ccc(C#N)nn1)C(=O)[C@@H](F)C(F)(F)F ZINC001102002858 742209798 /nfs/dbraw/zinc/20/97/98/742209798.db2.gz DAPVCEMZXXFLBE-SECBINFHSA-N 0 2 305.235 1.119 20 30 DDEDLN CN(CCNc1ccc(C#N)nn1)C(=O)C(F)C(F)(F)F ZINC001102002858 742209792 /nfs/dbraw/zinc/20/97/92/742209792.db2.gz DAPVCEMZXXFLBE-SECBINFHSA-N 0 2 305.235 1.119 20 30 DDEDLN CCCCCCCCS(=O)(=O)NC1(C(=O)OC)COC1 ZINC001188020286 744651762 /nfs/dbraw/zinc/65/17/62/744651762.db2.gz SQNAZQAHURJRQL-UHFFFAOYSA-N 0 2 307.412 1.208 20 30 DDEDLN CCOc1ccc(C)cc1S(=O)(=O)Nc1cnn(C)c1C#N ZINC001191787611 745611282 /nfs/dbraw/zinc/61/12/82/745611282.db2.gz CXUCHXRHGPXQRS-UHFFFAOYSA-N 0 2 320.374 1.800 20 30 DDEDLN COc1cc(OC)c(OC)cc1NS(=O)(=O)[C@@H](C)C#N ZINC001193148946 745997196 /nfs/dbraw/zinc/99/71/96/745997196.db2.gz HXSHZIOLWAKPTF-QMMMGPOBSA-N 0 2 300.336 1.366 20 30 DDEDLN COC(=O)CCCCS(=O)(=O)Nc1ccc(F)cc1C#N ZINC001196957969 747020640 /nfs/dbraw/zinc/02/06/40/747020640.db2.gz BUBHAUTXKTUCCJ-UHFFFAOYSA-N 0 2 314.338 1.782 20 30 DDEDLN Cc1ncc(C(=O)N(C)[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)[nH]1 ZINC001032961398 747784145 /nfs/dbraw/zinc/78/41/45/747784145.db2.gz RFRVNENVHANOKS-INIZCTEOSA-N 0 2 323.400 1.936 20 30 DDEDLN C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc3c1CCCC3)C2 ZINC001095674908 750133393 /nfs/dbraw/zinc/13/33/93/750133393.db2.gz QBPHWAIEMNULQG-UGFHNGPFSA-N 0 2 300.406 1.810 20 30 DDEDLN C#CC[NH+]1CCC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC000997185637 750678956 /nfs/dbraw/zinc/67/89/56/750678956.db2.gz HTUDATAKLILCCH-CYBMUJFWSA-N 0 2 318.421 1.200 20 30 DDEDLN CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001080419921 755908439 /nfs/dbraw/zinc/90/84/39/755908439.db2.gz JXSCLGFJOLTBOY-IONNQARKSA-N 0 2 309.263 1.106 20 30 DDEDLN CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001080419921 755908442 /nfs/dbraw/zinc/90/84/42/755908442.db2.gz JXSCLGFJOLTBOY-IONNQARKSA-N 0 2 309.263 1.106 20 30 DDEDLN C=CC[C@H](NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1)C(=O)[O-] ZINC001119580253 757871185 /nfs/dbraw/zinc/87/11/85/757871185.db2.gz JTADSBHUXLCVHV-UONOGXRCSA-N 0 2 312.410 1.269 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C(F)C(F)(F)F)C2 ZINC001019365348 759857418 /nfs/dbraw/zinc/85/74/18/759857418.db2.gz ZEOSMFDHWKNVND-DTWKUNHWSA-N 0 2 321.274 1.107 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001019365348 759857423 /nfs/dbraw/zinc/85/74/23/759857423.db2.gz ZEOSMFDHWKNVND-DTWKUNHWSA-N 0 2 321.274 1.107 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ncccc1C#N ZINC001098327713 764299567 /nfs/dbraw/zinc/29/95/67/764299567.db2.gz NGFPMEWLTVIRNY-IONNQARKSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ncccc1C#N ZINC001098327713 764299570 /nfs/dbraw/zinc/29/95/70/764299570.db2.gz NGFPMEWLTVIRNY-IONNQARKSA-N 0 2 304.247 1.770 20 30 DDEDLN CCOC(=O)C(C#N)Nc1c(C(=O)OC)cccc1C(=O)OC ZINC001170369279 766269228 /nfs/dbraw/zinc/26/92/28/766269228.db2.gz MNEWSJFYFJBODV-NSHDSACASA-N 0 2 320.301 1.127 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccc(C#N)cn1 ZINC001113934992 766425833 /nfs/dbraw/zinc/42/58/33/766425833.db2.gz SOEGZTLJUCNWHY-KCJUWKMLSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1ccc(C#N)cn1 ZINC001113934992 766425839 /nfs/dbraw/zinc/42/58/39/766425839.db2.gz SOEGZTLJUCNWHY-KCJUWKMLSA-N 0 2 318.274 1.795 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132217832 768690214 /nfs/dbraw/zinc/69/02/14/768690214.db2.gz HNNZSSDTPDBVFY-WDEREUQCSA-N 0 2 307.398 1.192 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132217832 768690217 /nfs/dbraw/zinc/69/02/17/768690217.db2.gz HNNZSSDTPDBVFY-WDEREUQCSA-N 0 2 307.398 1.192 20 30 DDEDLN C[C@H](CCNC(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001099742030 775209046 /nfs/dbraw/zinc/20/90/46/775209046.db2.gz GNYHTYFTELCCTD-VXNVDRBHSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNC(=O)[C@@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001099742030 775209063 /nfs/dbraw/zinc/20/90/63/775209063.db2.gz GNYHTYFTELCCTD-VXNVDRBHSA-N 0 2 319.262 1.555 20 30 DDEDLN COc1nc(NCCNC(=O)C(F)(F)F)c(F)cc1C#N ZINC001156204732 862816018 /nfs/dbraw/zinc/81/60/18/862816018.db2.gz HTYKUZUJSSEAKG-UHFFFAOYSA-N 0 2 306.219 1.191 20 30 DDEDLN CCOC(=O)[C@H](Oc1[nH]c(=O)cc(C)c1C#N)C(F)(F)F ZINC001226223553 882289254 /nfs/dbraw/zinc/28/92/54/882289254.db2.gz QWCIKFNYRQFNHT-VIFPVBQESA-N 0 2 304.224 1.840 20 30 DDEDLN C=C[C@@H]1O[C@@H](Oc2[nH]c(=O)cc(C)c2C#N)[C@H]2OC(C)(C)O[C@@H]12 ZINC001226223321 882289704 /nfs/dbraw/zinc/28/97/04/882289704.db2.gz NXRQSIUVMMTHPH-NHULGOKLSA-N 0 2 318.329 1.777 20 30 DDEDLN C=CCC[C@@H]1CCCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001338293915 869908372 /nfs/dbraw/zinc/90/83/72/869908372.db2.gz ICHMVCWQCHVKBX-LLVKDONJSA-N 0 2 301.350 1.028 20 30 DDEDLN COc1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)n[nH]2)nn1 ZINC001306907296 871377179 /nfs/dbraw/zinc/37/71/79/871377179.db2.gz QLWSYPORZFEWRX-UHFFFAOYSA-N 0 2 321.300 1.394 20 30 DDEDLN CCCN(CC(=O)NCC#N)Cc1nc(=O)c2sccc2[nH]1 ZINC001319468796 872648190 /nfs/dbraw/zinc/64/81/90/872648190.db2.gz GXAYINNBVXABRE-UHFFFAOYSA-N 0 2 319.390 1.249 20 30 DDEDLN O=C(C#CC1CC1)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001352825894 876956519 /nfs/dbraw/zinc/95/65/19/876956519.db2.gz JRHWQIXEOIEPKD-GXSJLCMTSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(C#CC1CC1)N[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001352825894 876956529 /nfs/dbraw/zinc/95/65/29/876956529.db2.gz JRHWQIXEOIEPKD-GXSJLCMTSA-N 0 2 306.259 1.017 20 30 DDEDLN Cc1ccc(CNC(=O)C[C@H]2SC(=N)NC2=O)cc1C#N ZINC001362866521 884833089 /nfs/dbraw/zinc/83/30/89/884833089.db2.gz KTUUGFGPQHXSKM-LLVKDONJSA-N 0 2 302.359 1.039 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(F)cc1Cl ZINC001363734166 887098259 /nfs/dbraw/zinc/09/82/59/887098259.db2.gz RRCPOGQBMKRNKV-SSDOTTSWSA-N 0 2 322.727 1.911 20 30 DDEDLN C#C[C@H](Oc1cc(O)cc2oc(C)cc(=O)c12)C(=O)OCC ZINC001234818321 888208807 /nfs/dbraw/zinc/20/88/07/888208807.db2.gz JKUVYRNEWRHCGK-LBPRGKRZSA-N 0 2 302.282 1.751 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1cccc(Cl)c1C ZINC001257644227 897899518 /nfs/dbraw/zinc/89/95/18/897899518.db2.gz GESIEJPPOQTICU-JTQLQIEISA-N 0 2 316.766 1.382 20 30 DDEDLN CC(=O)c1nn(C)cc1NS(=O)(=O)c1ccccc1C#N ZINC001258208296 898108868 /nfs/dbraw/zinc/10/88/68/898108868.db2.gz LGKFMFIXWGQWBI-UHFFFAOYSA-N 0 2 304.331 1.295 20 30 DDEDLN C#Cc1cccnc1NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC001259843659 898861851 /nfs/dbraw/zinc/86/18/51/898861851.db2.gz AFKJWADPPMSOQM-UHFFFAOYSA-N 0 2 302.311 1.592 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CCC1=O ZINC001259859035 898873976 /nfs/dbraw/zinc/87/39/76/898873976.db2.gz ZXTFQDOSIKMNCT-CYBMUJFWSA-N 0 2 304.371 1.279 20 30 DDEDLN CC#CCCCC(=O)N1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001286018199 911578036 /nfs/dbraw/zinc/57/80/36/911578036.db2.gz XNPUKHPEYUVHQE-GFCCVEGCSA-N 0 2 322.302 1.750 20 30 DDEDLN CC#CCCCC(=O)N1CC(N(C)C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001286018199 911578042 /nfs/dbraw/zinc/57/80/42/911578042.db2.gz XNPUKHPEYUVHQE-GFCCVEGCSA-N 0 2 322.302 1.750 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1ccccc1-n1c(C)c[nH]c1=O ZINC000416936701 529589587 /nfs/dbraw/zinc/58/95/87/529589587.db2.gz IHMIGAREYFTJPZ-LLVKDONJSA-N 0 2 320.374 1.930 20 30 DDEDLN COc1cccc2c1OC[C@@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)C2 ZINC000076426903 353420838 /nfs/dbraw/zinc/42/08/38/353420838.db2.gz JXJYMLLPRAOPBL-JTQLQIEISA-N 0 2 323.312 1.351 20 30 DDEDLN N#Cc1cccc(NS(=O)(=O)c2cnn3c2OCCC3)c1 ZINC000590597657 355125875 /nfs/dbraw/zinc/12/58/75/355125875.db2.gz NWPBBQISDKWKQE-UHFFFAOYSA-N 0 2 304.331 1.338 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2COC(C)(C)C2)cc1C#N ZINC000597861583 357362178 /nfs/dbraw/zinc/36/21/78/357362178.db2.gz KHJUFAWVXIHXOJ-VIFPVBQESA-N 0 2 307.375 1.678 20 30 DDEDLN Cc1cc(C(=O)N2CC[C@@](C)(C#N)C2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000598408552 357568928 /nfs/dbraw/zinc/56/89/28/357568928.db2.gz LIZJARQNQWZBMV-HNNXBMFYSA-N 0 2 313.317 1.120 20 30 DDEDLN C=CCOC[C@H](NC(=O)c1c(O)cc(F)cc1F)C(=O)OC ZINC000619511801 364045654 /nfs/dbraw/zinc/04/56/54/364045654.db2.gz WCQVGFWUQLGVTK-JTQLQIEISA-N 0 2 315.272 1.144 20 30 DDEDLN CNc1ccc(C#N)cc1NS(=O)(=O)c1c(C)nn(C)c1C ZINC000284987179 218248419 /nfs/dbraw/zinc/24/84/19/218248419.db2.gz DYJNTJLAAHICMQ-UHFFFAOYSA-N 0 2 319.390 1.751 20 30 DDEDLN CCC(=O)Nc1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000052557353 183864505 /nfs/dbraw/zinc/86/45/05/183864505.db2.gz CYXSAFIJGZCBPM-UHFFFAOYSA-N 0 2 308.301 1.754 20 30 DDEDLN C/N=C1\SC(CC(=O)Nc2ccc(C#N)cc2)C(=O)N1C ZINC000077397456 221472248 /nfs/dbraw/zinc/47/22/48/221472248.db2.gz JACRXLFVYZZEJR-QSJBWMMGSA-N 0 2 302.359 1.446 20 30 DDEDLN C/N=C1\S[C@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1C ZINC000077397456 221472251 /nfs/dbraw/zinc/47/22/51/221472251.db2.gz JACRXLFVYZZEJR-QSJBWMMGSA-N 0 2 302.359 1.446 20 30 DDEDLN CC(=O)c1cccc(O[C@H](C)C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000132531142 407791930 /nfs/dbraw/zinc/79/19/30/407791930.db2.gz CWZNMVJPBQHWSI-SNVBAGLBSA-N 0 2 323.312 1.762 20 30 DDEDLN COCc1cccc(S(=O)(=O)Nc2ccn(CCC#N)n2)c1 ZINC000172097235 407807329 /nfs/dbraw/zinc/80/73/29/407807329.db2.gz WBTMVQRUWSHSRW-UHFFFAOYSA-N 0 2 320.374 1.744 20 30 DDEDLN N#Cc1nc(NC(=O)CSCc2cscn2)[nH]c1C#N ZINC000153348940 407807549 /nfs/dbraw/zinc/80/75/49/407807549.db2.gz ZXHKJFIAZBLPSL-UHFFFAOYSA-N 0 2 304.360 1.481 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)[nH]1 ZINC000133885472 407876258 /nfs/dbraw/zinc/87/62/58/407876258.db2.gz AVKRXMUCQNAVPA-UHFFFAOYSA-N 0 2 323.272 1.832 20 30 DDEDLN N#Cc1c(Cl)cccc1S(=O)(=O)Nc1nncs1 ZINC000153864236 407921267 /nfs/dbraw/zinc/92/12/67/407921267.db2.gz FAHDWFAPQBRKOU-UHFFFAOYSA-N 0 2 300.752 1.864 20 30 DDEDLN Cc1cc(O)c(C(=O)C=Cc2cnn(CC(F)F)c2)c(=O)o1 ZINC000292377770 409027666 /nfs/dbraw/zinc/02/76/66/409027666.db2.gz UBDGZQVEPVJDFV-IBUXWKBASA-N 0 2 310.256 1.376 20 30 DDEDLN C=CCC(C)(C)CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000293756204 409174783 /nfs/dbraw/zinc/17/47/83/409174783.db2.gz KYTQYFYIUWHHFG-UHFFFAOYSA-N 0 2 302.334 1.768 20 30 DDEDLN N#C[C@H]1CN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CCO1 ZINC000285054061 409393631 /nfs/dbraw/zinc/39/36/31/409393631.db2.gz OGYWJHWMOFUWLA-JTQLQIEISA-N 0 2 320.732 1.876 20 30 DDEDLN CO[C@H](CS(=O)(=O)Nc1c(C#N)cnn1C)c1ccccc1 ZINC000296046108 409411715 /nfs/dbraw/zinc/41/17/15/409411715.db2.gz SYZMFCQLJDBBEB-CYBMUJFWSA-N 0 2 320.374 1.421 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CC3CCC2CC3)c1 ZINC000408151062 164243315 /nfs/dbraw/zinc/24/33/15/164243315.db2.gz YRXKJVFDLPXIQT-MMWSSPAHSA-N 0 2 319.386 1.584 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@@H](C)n2ccc3ccccc3c2=O)c1C#N ZINC000357250769 409953077 /nfs/dbraw/zinc/95/30/77/409953077.db2.gz ZDPOWGATKKRXIA-LLVKDONJSA-N 0 2 321.340 2.104 20 30 DDEDLN Cn1cc([NH+]=c2[n-]nc(COc3ccc(C#N)cc3)n2C)cn1 ZINC000350104508 409927172 /nfs/dbraw/zinc/92/71/72/409927172.db2.gz LZOFJGUXFFCCIK-UHFFFAOYSA-N 0 2 309.333 1.743 20 30 DDEDLN CC(C)Cn1nccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000357385712 410008665 /nfs/dbraw/zinc/00/86/65/410008665.db2.gz JNUAOPGCQKOWIL-UHFFFAOYSA-N 0 2 305.363 1.607 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cc(C)n(C)n2)n1 ZINC000354688664 410020842 /nfs/dbraw/zinc/02/08/42/410020842.db2.gz VIKLBXCNKWJQKY-SECBINFHSA-N 0 2 318.358 1.852 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)c2cc(C)n(C)n2)n1 ZINC000354688664 410020848 /nfs/dbraw/zinc/02/08/48/410020848.db2.gz VIKLBXCNKWJQKY-SECBINFHSA-N 0 2 318.358 1.852 20 30 DDEDLN COC(=O)Cc1occ(C)c1C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000352609707 410671414 /nfs/dbraw/zinc/67/14/14/410671414.db2.gz JXMYOPAHHKEYGE-UHFFFAOYSA-N 0 2 313.273 1.022 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cn1 ZINC000355856385 410703142 /nfs/dbraw/zinc/70/31/42/410703142.db2.gz VJVWXGMESGFHTE-UHFFFAOYSA-N 0 2 306.285 1.696 20 30 DDEDLN Cc1ccc(N2CCC(=C([O-])[NH+]=C3C[C@@H](C)ON3)C2=O)cc1C ZINC000371274375 418772792 /nfs/dbraw/zinc/77/27/92/418772792.db2.gz DYEMGEUGLWJZIV-TZMCWYRMSA-N 0 2 315.373 1.895 20 30 DDEDLN CCc1nnc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)[nH]1 ZINC000479042334 420973404 /nfs/dbraw/zinc/97/34/04/420973404.db2.gz GVMWPBPDMIAZED-UHFFFAOYSA-N 0 2 304.335 1.314 20 30 DDEDLN N#Cc1cccc(CC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000582243348 422140791 /nfs/dbraw/zinc/14/07/91/422140791.db2.gz KDNCXQHSZDCKNP-UHFFFAOYSA-N 0 2 311.345 1.331 20 30 DDEDLN C=CCN1CC[C@@H]([N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])C1=O ZINC000662233442 424494385 /nfs/dbraw/zinc/49/43/85/424494385.db2.gz DQONTYFVHVGWFN-CABCVRRESA-N 0 2 300.358 1.457 20 30 DDEDLN C=CCN1CC[C@@H]([N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])C1=O ZINC000662233442 424494395 /nfs/dbraw/zinc/49/43/95/424494395.db2.gz DQONTYFVHVGWFN-CABCVRRESA-N 0 2 300.358 1.457 20 30 DDEDLN N#C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCN1C1CC1 ZINC000374784654 303161872 /nfs/dbraw/zinc/16/18/72/303161872.db2.gz TVFMCRIIRKJVAB-GFCCVEGCSA-N 0 2 316.317 1.113 20 30 DDEDLN CCC[C@](C)(O)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000359139024 306951269 /nfs/dbraw/zinc/95/12/69/306951269.db2.gz JHKJUWGVSXNRLT-AWEZNQCLSA-N 0 2 309.391 1.662 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N(CCC#N)CC2CC2)c1 ZINC000424637067 533814489 /nfs/dbraw/zinc/81/44/89/533814489.db2.gz BULXSWSFMFANPV-JOCHJYFZSA-N 0 2 320.414 1.955 20 30 DDEDLN C#CCNC(=O)c1ccccc1NS(=O)(=O)N1CC[C@H](C)C1 ZINC000490915984 527043330 /nfs/dbraw/zinc/04/33/30/527043330.db2.gz QYXIJDZTZVFBOW-LBPRGKRZSA-N 0 2 321.402 1.048 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cnnn2CC)n1 ZINC000345074697 528363261 /nfs/dbraw/zinc/36/32/61/528363261.db2.gz YSGSJJOSQOVIMB-QMMMGPOBSA-N 0 2 319.346 1.421 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cnnn2CC)n1 ZINC000345074697 528363266 /nfs/dbraw/zinc/36/32/66/528363266.db2.gz YSGSJJOSQOVIMB-QMMMGPOBSA-N 0 2 319.346 1.421 20 30 DDEDLN C[C@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001120844673 782181562 /nfs/dbraw/zinc/18/15/62/782181562.db2.gz KQDZPINFEQRHGY-XCBNKYQSSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CN(C)C(=O)[C@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001120844673 782181570 /nfs/dbraw/zinc/18/15/70/782181570.db2.gz KQDZPINFEQRHGY-XCBNKYQSSA-N 0 2 319.262 1.507 20 30 DDEDLN CN(C(=O)C[N@@H+]1CCCC[C@H]1C(=O)[O-])C1(C#N)CCCCC1 ZINC000737922197 597435978 /nfs/dbraw/zinc/43/59/78/597435978.db2.gz RHTZIXJYKAHELL-ZDUSSCGKSA-N 0 2 307.394 1.610 20 30 DDEDLN CN(C(=O)C[N@H+]1CCCC[C@H]1C(=O)[O-])C1(C#N)CCCCC1 ZINC000737922197 597435981 /nfs/dbraw/zinc/43/59/81/597435981.db2.gz RHTZIXJYKAHELL-ZDUSSCGKSA-N 0 2 307.394 1.610 20 30 DDEDLN C[C@H](C(=O)[O-])[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000817772046 597492708 /nfs/dbraw/zinc/49/27/08/597492708.db2.gz GSNKTMKOSMVWPZ-LLVKDONJSA-N 0 2 323.780 1.992 20 30 DDEDLN C[C@H](C(=O)[O-])[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000817772046 597492709 /nfs/dbraw/zinc/49/27/09/597492709.db2.gz GSNKTMKOSMVWPZ-LLVKDONJSA-N 0 2 323.780 1.992 20 30 DDEDLN N#CC1(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccccc2)CCCCC1 ZINC000739065989 599786619 /nfs/dbraw/zinc/78/66/19/599786619.db2.gz GDOPLTXGGUGEOM-OAHLLOKOSA-N 0 2 315.373 1.745 20 30 DDEDLN C#Cc1cccc(NC(=O)c2cc(S(N)(=O)=O)ccc2O)c1 ZINC000747338035 700065120 /nfs/dbraw/zinc/06/51/20/700065120.db2.gz ZCXVYASXLKVYGE-UHFFFAOYSA-N 0 2 316.338 1.273 20 30 DDEDLN C#CCSCCNC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000156119891 696958118 /nfs/dbraw/zinc/95/81/18/696958118.db2.gz RAJXZJXHPSVTSJ-UHFFFAOYSA-N 0 2 301.371 1.740 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1N[NH2+]C1=CC(=O)N2CCCC[C@@H]12 ZINC000799482391 700144082 /nfs/dbraw/zinc/14/40/82/700144082.db2.gz LORNORUTDCVNFF-ZDUSSCGKSA-N 0 2 317.345 1.946 20 30 DDEDLN CNc1ccc(C#N)cc1NC(=O)CC1SC(=N)NC1=O ZINC000803303629 701100621 /nfs/dbraw/zinc/10/06/21/701100621.db2.gz QZWJLRJYHBKDDF-JTQLQIEISA-N 0 2 303.347 1.095 20 30 DDEDLN C[C@H](Oc1ccc(C#N)cc1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770866567 701298399 /nfs/dbraw/zinc/29/83/99/701298399.db2.gz UBJSGHDTZJHLCU-SMDDNHRTSA-N 0 2 322.324 1.651 20 30 DDEDLN COC(=O)CCCONC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000811560234 702005290 /nfs/dbraw/zinc/00/52/90/702005290.db2.gz YOAWRRAHZGLRPW-UHFFFAOYSA-N 0 2 320.320 1.730 20 30 DDEDLN CC(C)N1CC[C@@H]([NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)C1=O ZINC000826965987 705902159 /nfs/dbraw/zinc/90/21/59/705902159.db2.gz HRKGVQKJAXZDGS-ZIAGYGMSSA-N 0 2 301.346 1.283 20 30 DDEDLN CC1(C#N)CC[NH+](CC(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000833551208 707008972 /nfs/dbraw/zinc/00/89/72/707008972.db2.gz JGBNUGNRHCZBTF-UHFFFAOYSA-N 0 2 301.346 1.949 20 30 DDEDLN C=C(C)C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)[O-] ZINC000909081848 712933702 /nfs/dbraw/zinc/93/37/02/712933702.db2.gz HXQSVYLUZZABHD-STQMWFEESA-N 0 2 318.377 1.379 20 30 DDEDLN C=C(C)C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(=O)[O-] ZINC000910293160 709871537 /nfs/dbraw/zinc/87/15/37/709871537.db2.gz UXLLUJLSODYQIG-STQMWFEESA-N 0 2 306.366 1.326 20 30 DDEDLN C=C(C)C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(=O)[O-] ZINC000910293160 709871540 /nfs/dbraw/zinc/87/15/40/709871540.db2.gz UXLLUJLSODYQIG-STQMWFEESA-N 0 2 306.366 1.326 20 30 DDEDLN CC[C@@H](C[NH+]1CCOCC1)/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000905002953 711908685 /nfs/dbraw/zinc/90/86/85/711908685.db2.gz NAOMWLCUVGKUKA-ATTDUZETSA-N 0 2 307.350 1.830 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000965917610 717814026 /nfs/dbraw/zinc/81/40/26/717814026.db2.gz XWWDMMXFGSCGOS-KCJUWKMLSA-N 0 2 312.801 1.616 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC000965917610 717814029 /nfs/dbraw/zinc/81/40/29/717814029.db2.gz XWWDMMXFGSCGOS-KCJUWKMLSA-N 0 2 312.801 1.616 20 30 DDEDLN CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1CC ZINC001087630255 740683794 /nfs/dbraw/zinc/68/37/94/740683794.db2.gz AQRUDILJJZNJJJ-HRCADAONSA-N 0 2 314.433 1.438 20 30 DDEDLN CN(CCN(C)c1ccc(C#N)nc1)C(=O)C(F)C(F)(F)F ZINC001105589448 742133462 /nfs/dbraw/zinc/13/34/62/742133462.db2.gz UXNAEZNJVOUVFN-NSHDSACASA-N 0 2 318.274 1.748 20 30 DDEDLN CN(CCN(C)c1ccc(C#N)nc1)C(=O)[C@H](F)C(F)(F)F ZINC001105589448 742133467 /nfs/dbraw/zinc/13/34/67/742133467.db2.gz UXNAEZNJVOUVFN-NSHDSACASA-N 0 2 318.274 1.748 20 30 DDEDLN CN(CCN(C)c1cncc(C#N)n1)C(=O)C(F)C(F)(F)F ZINC001105589275 742133559 /nfs/dbraw/zinc/13/35/59/742133559.db2.gz NGTUNQRHHSJXQE-SNVBAGLBSA-N 0 2 319.262 1.143 20 30 DDEDLN CN(CCN(C)c1cncc(C#N)n1)C(=O)[C@@H](F)C(F)(F)F ZINC001105589275 742133564 /nfs/dbraw/zinc/13/35/64/742133564.db2.gz NGTUNQRHHSJXQE-SNVBAGLBSA-N 0 2 319.262 1.143 20 30 DDEDLN C=CCOC(=O)c1ccccc1NS(=O)(=O)CCOCC ZINC001187286405 744534402 /nfs/dbraw/zinc/53/44/02/744534402.db2.gz JLOAKROWHAYTCG-UHFFFAOYSA-N 0 2 313.375 1.808 20 30 DDEDLN Cc1ccc2c(Cn3c(=O)[nH]cc(C#N)c3=O)cc(=O)oc2c1C ZINC001189567078 744925340 /nfs/dbraw/zinc/92/53/40/744925340.db2.gz MKCCYLOZPPLZNL-UHFFFAOYSA-N 0 2 323.308 1.180 20 30 DDEDLN O=C(NC1=CC(=O)CCC1)c1nc(Br)ccc1O ZINC001191747512 745600860 /nfs/dbraw/zinc/60/08/60/745600860.db2.gz BKLLWHDIDOHKBF-UHFFFAOYSA-N 0 2 311.135 1.916 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(F)nc2)c1 ZINC001193641429 746158621 /nfs/dbraw/zinc/15/86/21/746158621.db2.gz YVHPZFATEPEWGT-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN COCn1cc(NS(=O)(=O)c2ccc(C)c(C#N)c2)cn1 ZINC001201294729 748467622 /nfs/dbraw/zinc/46/76/22/748467622.db2.gz CJDLHDHYPOUEFS-UHFFFAOYSA-N 0 2 306.347 1.468 20 30 DDEDLN C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001079700780 755536240 /nfs/dbraw/zinc/53/62/40/755536240.db2.gz KYQQNXRVJJCIOW-VHDGCEQUSA-N 0 2 302.422 1.842 20 30 DDEDLN C=CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266465331 836299276 /nfs/dbraw/zinc/29/92/76/836299276.db2.gz UHCWRFBAGPGXIK-HNNXBMFYSA-N 0 2 302.422 1.529 20 30 DDEDLN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)C=C(O)c1ccccc1 ZINC001271008595 843130797 /nfs/dbraw/zinc/13/07/97/843130797.db2.gz KZRBEYYZXWYQLD-HZPDHXFCSA-N 0 2 324.380 1.485 20 30 DDEDLN C#CCCCCC(=O)N(C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001286010357 843623863 /nfs/dbraw/zinc/62/38/63/843623863.db2.gz ZAYGLIDCQWGGLM-GFCCVEGCSA-N 0 2 322.302 1.750 20 30 DDEDLN C#CCCCCC(=O)N(C)C1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001286010357 843623867 /nfs/dbraw/zinc/62/38/67/843623867.db2.gz ZAYGLIDCQWGGLM-GFCCVEGCSA-N 0 2 322.302 1.750 20 30 DDEDLN C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001149632586 861766755 /nfs/dbraw/zinc/76/67/55/861766755.db2.gz UAHSLALNKTWHIG-CQSZACIVSA-N 0 2 306.410 1.126 20 30 DDEDLN C=CCN1CC2(CN(Cc3c(F)ccc(F)c3O)C2)OCC1=O ZINC001273205614 848755808 /nfs/dbraw/zinc/75/58/08/848755808.db2.gz APJYNLRPHIFCOW-UHFFFAOYSA-N 0 2 324.327 1.270 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC2(COC2)C1 ZINC001121716963 858580943 /nfs/dbraw/zinc/58/09/43/858580943.db2.gz SMNIGFRAMKFGFW-UHFFFAOYSA-N 0 2 321.772 1.129 20 30 DDEDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1cccc([N+](=O)[O-])c1 ZINC001306935616 871383375 /nfs/dbraw/zinc/38/33/75/871383375.db2.gz FJQHCNTUKPMOTB-QMMMGPOBSA-N 0 2 315.289 1.027 20 30 DDEDLN C=C(C)CN(C)c1nnc(-c2n[nH]c(Cl)n2)n1CCOC ZINC001342381077 872182526 /nfs/dbraw/zinc/18/25/26/872182526.db2.gz UYALSXJMSYQEFV-UHFFFAOYSA-N 0 2 311.777 1.375 20 30 DDEDLN N#CC(C(=O)COc1ccc(C(N)=O)cc1)c1cccc(F)n1 ZINC001343311365 872575970 /nfs/dbraw/zinc/57/59/70/872575970.db2.gz FMBWFERZTBUIRO-GFCCVEGCSA-N 0 2 313.288 1.575 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)CCCCC(N)=O)n1 ZINC001343478331 872640934 /nfs/dbraw/zinc/64/09/34/872640934.db2.gz ORRZVQMMPMDSES-SECBINFHSA-N 0 2 323.374 1.542 20 30 DDEDLN C=CCN(C)c1nnc(-c2n[nH]c(Cl)n2)n1C[C@@H]1CCCO1 ZINC001343803024 872765849 /nfs/dbraw/zinc/76/58/49/872765849.db2.gz UASKUBALFOJLAD-VIFPVBQESA-N 0 2 323.788 1.518 20 30 DDEDLN COc1ccc(N)cc1S(=O)(=O)Nc1ccc(C#N)nc1 ZINC001209616828 875007877 /nfs/dbraw/zinc/00/78/77/875007877.db2.gz ZUBJZTUFWZYFLC-UHFFFAOYSA-N 0 2 304.331 1.345 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)c2cncc(N)c2)cc([N+](=O)[O-])c1 ZINC001211328983 875755247 /nfs/dbraw/zinc/75/52/47/875755247.db2.gz PYIHGWMLXTZJAF-UHFFFAOYSA-N 0 2 319.302 1.244 20 30 DDEDLN CCOC(=O)C[C@@H](CC#N)Oc1[nH]c(=O)nc2ncsc21 ZINC001227608097 883103396 /nfs/dbraw/zinc/10/33/96/883103396.db2.gz ROWBIQVWGFUMNG-SSDOTTSWSA-N 0 2 308.319 1.406 20 30 DDEDLN C[C@@H](CNC(=O)C#CC1CC1)CNC(=O)C(F)C(F)(F)F ZINC001357021955 879718588 /nfs/dbraw/zinc/71/85/88/879718588.db2.gz CVMOOMQRIGEGNH-KWQFWETISA-N 0 2 308.275 1.169 20 30 DDEDLN C[C@@H](CNC(=O)C#CC1CC1)CNC(=O)[C@H](F)C(F)(F)F ZINC001357021955 879718599 /nfs/dbraw/zinc/71/85/99/879718599.db2.gz CVMOOMQRIGEGNH-KWQFWETISA-N 0 2 308.275 1.169 20 30 DDEDLN Cn1c(=O)[nH]c(N[C@H]2COc3c2cccc3Cl)c(C#N)c1=O ZINC001365226999 890392550 /nfs/dbraw/zinc/39/25/50/890392550.db2.gz VUAYUCNJXQSROF-JTQLQIEISA-N 0 2 318.720 1.144 20 30 DDEDLN CS(=O)(=O)CCn1cc(NC2=C(C#N)C(=O)CS2)cn1 ZINC001249673275 894094116 /nfs/dbraw/zinc/09/41/16/894094116.db2.gz CEHFACVLODBDAH-UHFFFAOYSA-N 0 2 312.376 1.310 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2ccc3ccccc3c2)CCC1=O ZINC001250710958 894377126 /nfs/dbraw/zinc/37/71/26/894377126.db2.gz POZXHILURBFCEM-CQSZACIVSA-N 0 2 314.366 1.943 20 30 DDEDLN CC(C)Oc1ccc(S(=O)(=O)Nc2cn(C)nc2C#N)cc1 ZINC001259401858 898654211 /nfs/dbraw/zinc/65/42/11/898654211.db2.gz BXGYAUDVGFEYLC-UHFFFAOYSA-N 0 2 320.374 1.880 20 30 DDEDLN C#Cc1cc(=NS(=O)(=O)c2cccc(NC(C)=O)c2)cc[nH]1 ZINC001260802916 899267914 /nfs/dbraw/zinc/26/79/14/899267914.db2.gz KDOCSVSBHGMLPF-UHFFFAOYSA-N 0 2 315.354 1.244 20 30 DDEDLN C=CCC(CC=C)C(=O)NCCNC(=O)C(F)C(F)(F)F ZINC001283034620 906505846 /nfs/dbraw/zinc/50/58/46/906505846.db2.gz BJILCMDSBCDMPT-JTQLQIEISA-N 0 2 310.291 1.888 20 30 DDEDLN C=CCC(CC=C)C(=O)NCCNC(=O)[C@H](F)C(F)(F)F ZINC001283034620 906505861 /nfs/dbraw/zinc/50/58/61/906505861.db2.gz BJILCMDSBCDMPT-JTQLQIEISA-N 0 2 310.291 1.888 20 30 DDEDLN C=CCCC(=O)N1CC([C@@H](C)NC(=O)C(F)C(F)(F)F)C1 ZINC001286198371 911816701 /nfs/dbraw/zinc/81/67/01/911816701.db2.gz DMCKPAADZUVZFR-LDYMZIIASA-N 0 2 310.291 1.816 20 30 DDEDLN C=CCCC(=O)N1CC([C@@H](C)NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001286198371 911816715 /nfs/dbraw/zinc/81/67/15/911816715.db2.gz DMCKPAADZUVZFR-LDYMZIIASA-N 0 2 310.291 1.816 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC[C@@H]1CCCNC(=O)c1[nH]ncc1F ZINC001295980349 916162517 /nfs/dbraw/zinc/16/25/17/916162517.db2.gz PDPCYUGYZYRZSG-MNOVXSKESA-N 0 2 321.356 1.209 20 30 DDEDLN Cc1n[nH]c(NC(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 ZINC000084599034 539169343 /nfs/dbraw/zinc/16/93/43/539169343.db2.gz BLTOTVWHUGVOKC-QMMMGPOBSA-N 0 2 308.363 1.908 20 30 DDEDLN Cc1cc(C(F)(F)F)c(C#N)c(SCc2n[nH]c(=O)[nH]2)n1 ZINC000092870075 185347414 /nfs/dbraw/zinc/34/74/14/185347414.db2.gz FNUBYZSPRXMETI-UHFFFAOYSA-N 0 2 315.280 1.984 20 30 DDEDLN CC[C@H](C)Oc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)ccn1 ZINC000181880620 186214946 /nfs/dbraw/zinc/21/49/46/186214946.db2.gz DOVNYADZYLALEN-VIFPVBQESA-N 0 2 310.317 1.978 20 30 DDEDLN C[S@](=O)Cc1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000026268517 352207247 /nfs/dbraw/zinc/20/72/47/352207247.db2.gz AQMYUMDPNDHMLT-JOCHJYFZSA-N 0 2 313.342 1.284 20 30 DDEDLN C=CCC[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000579843011 354724177 /nfs/dbraw/zinc/72/41/77/354724177.db2.gz UYESJRMPLQWABA-UHFFFAOYSA-N 0 2 324.402 1.267 20 30 DDEDLN N#CCc1cccc(S(=O)(=O)Nc2nnc(C3CC3)o2)c1 ZINC000589591233 355002636 /nfs/dbraw/zinc/00/26/36/355002636.db2.gz YNPFPJYNWMWNFV-UHFFFAOYSA-N 0 2 304.331 1.814 20 30 DDEDLN N#Cc1cccc(N2CCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)n1 ZINC000592421727 355578287 /nfs/dbraw/zinc/57/82/87/355578287.db2.gz VTPJBMDEKBSEAU-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN CC(C)n1cnc(NS(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000593283110 355844323 /nfs/dbraw/zinc/84/43/23/355844323.db2.gz GATMLHOFGQLPFU-UHFFFAOYSA-N 0 2 305.363 1.726 20 30 DDEDLN N#CCCN1CCN(C(=O)c2cc(F)c(F)c(O)c2F)CC1 ZINC000602204420 358882081 /nfs/dbraw/zinc/88/20/81/358882081.db2.gz OIJASMIVFSWKDE-UHFFFAOYSA-N 0 2 313.279 1.481 20 30 DDEDLN CC(C)[C@@H](C#N)N1CCN(C(=O)c2c(O)cc(F)cc2F)CC1 ZINC000611280115 360687972 /nfs/dbraw/zinc/68/79/72/360687972.db2.gz TXVZPEUZSLNRLL-CYBMUJFWSA-N 0 2 323.343 1.976 20 30 DDEDLN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cn(C2CC2)nn1 ZINC000626283892 367460618 /nfs/dbraw/zinc/46/06/18/367460618.db2.gz UNHONFIBQXNGDY-LLVKDONJSA-N 0 2 306.329 1.990 20 30 DDEDLN C[C@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000579789602 422830473 /nfs/dbraw/zinc/83/04/73/422830473.db2.gz VOTUDSNGBLBFPW-QMMMGPOBSA-N 0 2 310.273 1.803 20 30 DDEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccn(C)n2)c1 ZINC000055575076 407205505 /nfs/dbraw/zinc/20/55/05/407205505.db2.gz DWPGNTOMYMMFQE-UHFFFAOYSA-N 0 2 320.374 1.137 20 30 DDEDLN Cc1c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cnn1-c1ccccc1 ZINC000112114127 407421996 /nfs/dbraw/zinc/42/19/96/407421996.db2.gz CCGLQDPPZSYBDS-UHFFFAOYSA-N 0 2 317.312 1.899 20 30 DDEDLN C=C(C)COc1cccc(NC(=O)NCc2n[nH]c(=O)[nH]2)c1 ZINC000129020926 407587445 /nfs/dbraw/zinc/58/74/45/407587445.db2.gz SUCSTMQAMPSJBP-UHFFFAOYSA-N 0 2 303.322 1.375 20 30 DDEDLN COCc1csc(NS(=O)(=O)c2ccc(C#N)nc2)n1 ZINC000115928272 407713032 /nfs/dbraw/zinc/71/30/32/407713032.db2.gz LLNRPQXBXWUEOC-UHFFFAOYSA-N 0 2 310.360 1.357 20 30 DDEDLN CC(C)(C#N)c1ccc(NC(=O)CSc2n[nH]c(=O)[nH]2)cc1 ZINC000186894060 407791260 /nfs/dbraw/zinc/79/12/60/407791260.db2.gz QITIERLHQJDBBM-UHFFFAOYSA-N 0 2 317.374 1.630 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1nnc(C(C)C)o1 ZINC000187041375 407815032 /nfs/dbraw/zinc/81/50/32/407815032.db2.gz HMBSLHMNMQRWOW-UHFFFAOYSA-N 0 2 322.346 1.874 20 30 DDEDLN N#CCCn1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000117740931 407853438 /nfs/dbraw/zinc/85/34/38/407853438.db2.gz USHBHYGGZJNUNG-UHFFFAOYSA-N 0 2 312.301 1.876 20 30 DDEDLN Cn1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1C#N ZINC000190883906 408335702 /nfs/dbraw/zinc/33/57/02/408335702.db2.gz JJBBZSJUBKWCTA-UHFFFAOYSA-N 0 2 324.432 1.333 20 30 DDEDLN CC[C@](C)(C#N)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000286144010 408931326 /nfs/dbraw/zinc/93/13/26/408931326.db2.gz RLEOYAFXSUOCFI-MRXNPFEDSA-N 0 2 313.361 1.940 20 30 DDEDLN Cc1c(NS(=O)(=O)c2cncc(C#N)c2)cccc1[N+](=O)[O-] ZINC000320095724 164039997 /nfs/dbraw/zinc/03/99/97/164039997.db2.gz GIMXSOSDNAMMKG-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN C=C[C@@H](CO)NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000290670139 409481796 /nfs/dbraw/zinc/48/17/96/409481796.db2.gz SJTFDLOXUYGHAX-ZDUSSCGKSA-N 0 2 315.373 1.978 20 30 DDEDLN CC(C)(C)n1cnc(=NC(=O)NCc2cc(C#N)ccc2F)[nH]1 ZINC000345618583 409714958 /nfs/dbraw/zinc/71/49/58/409714958.db2.gz YCXDNCLLJIHVCY-UHFFFAOYSA-N 0 2 316.340 2.366 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000320504197 409906456 /nfs/dbraw/zinc/90/64/56/409906456.db2.gz FGJOYTUECHGGBO-UHFFFAOYSA-N 0 2 314.326 1.634 20 30 DDEDLN Cc1[nH]nc2ncc(NS(=O)(=O)c3cncc(C#N)c3)cc12 ZINC000357369887 409997236 /nfs/dbraw/zinc/99/72/36/409997236.db2.gz KXAMZOAFVGJKEX-UHFFFAOYSA-N 0 2 314.330 1.334 20 30 DDEDLN CN(C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2C#N)cn1 ZINC000357371426 410000908 /nfs/dbraw/zinc/00/09/08/410000908.db2.gz NRGDCDDJZVGPLQ-UHFFFAOYSA-N 0 2 320.349 1.959 20 30 DDEDLN CCCCc1nnc(NS(=O)(=O)c2cncc(C#N)c2)s1 ZINC000290873583 221983767 /nfs/dbraw/zinc/98/37/67/221983767.db2.gz BCWRGXZWBGCLPX-UHFFFAOYSA-N 0 2 323.403 1.948 20 30 DDEDLN CC(C)(C)CN(CCC#N)S(=O)(=O)NCC(F)(F)F ZINC000195227688 222194597 /nfs/dbraw/zinc/19/45/97/222194597.db2.gz FXXSZSGLNUAQRU-UHFFFAOYSA-N 0 2 301.334 1.645 20 30 DDEDLN COc1ccnc(NS(=O)(=O)c2ccc(C#N)cc2OC)c1 ZINC000362136143 418749624 /nfs/dbraw/zinc/74/96/24/418749624.db2.gz VJZQONWVKXFBTF-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)s1 ZINC000435498262 229393260 /nfs/dbraw/zinc/39/32/60/229393260.db2.gz VIBOMQFMDMTQOC-UHFFFAOYSA-N 0 2 319.367 1.915 20 30 DDEDLN N#C[C@H](C(=O)c1cn(Cc2ccccn2)nn1)c1ccccn1 ZINC000442654555 420694257 /nfs/dbraw/zinc/69/42/57/420694257.db2.gz PSUBOXWPVKJIPO-ZDUSSCGKSA-N 0 2 304.313 1.606 20 30 DDEDLN N#CC(C(=O)c1cn(Cc2ccccn2)nn1)c1ccccn1 ZINC000442654555 420694260 /nfs/dbraw/zinc/69/42/60/420694260.db2.gz PSUBOXWPVKJIPO-ZDUSSCGKSA-N 0 2 304.313 1.606 20 30 DDEDLN C[C@]1(Br)C[C@@H]1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 ZINC000528925494 421525353 /nfs/dbraw/zinc/52/53/53/421525353.db2.gz XEOIOJRYDWVFSO-BREBYQMCSA-N 0 2 313.195 1.928 20 30 DDEDLN C[C@]1(Br)C[C@@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000528925494 421525356 /nfs/dbraw/zinc/52/53/56/421525356.db2.gz XEOIOJRYDWVFSO-BREBYQMCSA-N 0 2 313.195 1.928 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]([C@H](C)O)C2)cc1C#N ZINC000533016164 421668271 /nfs/dbraw/zinc/66/82/71/421668271.db2.gz NQKPHLIATSHWDW-VHSXEESVSA-N 0 2 321.402 1.614 20 30 DDEDLN C=CCCn1cc(CN=c2nc(C(C)(C)OC)[nH]s2)nn1 ZINC000630960734 422443495 /nfs/dbraw/zinc/44/34/95/422443495.db2.gz YXVYWJXCZIIAIE-UHFFFAOYSA-N 0 2 308.411 1.621 20 30 DDEDLN CC[C@H](C)[C@H](O)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000349783072 266392261 /nfs/dbraw/zinc/39/22/61/266392261.db2.gz JCCXQIXNGXFJCN-GZMMTYOYSA-N 0 2 309.391 1.518 20 30 DDEDLN C=CCONC(=O)[C@@]1(COC)CCN(C(=O)OC(C)(C)C)C1 ZINC000496327707 340003149 /nfs/dbraw/zinc/00/31/49/340003149.db2.gz OEXYTTGQACWUHQ-HNNXBMFYSA-N 0 2 314.382 1.494 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000528967482 340741117 /nfs/dbraw/zinc/74/11/17/340741117.db2.gz AGLIPQZYKZMWRT-MNOVXSKESA-N 0 2 303.362 1.905 20 30 DDEDLN C#CCN(CC#CC)C(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000490934076 526863515 /nfs/dbraw/zinc/86/35/15/526863515.db2.gz HFJIRBMNMGFCRM-UHFFFAOYSA-N 0 2 323.352 1.685 20 30 DDEDLN C#C[C@H](CCC)NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000491635881 527373959 /nfs/dbraw/zinc/37/39/59/527373959.db2.gz UDSTVYXSASSHGU-SECBINFHSA-N 0 2 300.318 1.276 20 30 DDEDLN C=C[C@H](C)NS(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F ZINC000451304123 527570151 /nfs/dbraw/zinc/57/01/51/527570151.db2.gz HVUKNJPCNLCWOF-JGVFFNPUSA-N 0 2 303.302 1.364 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1c(C)ccc(C(=O)OC)c1O ZINC000416968550 529270407 /nfs/dbraw/zinc/27/04/07/529270407.db2.gz YREMXCOTFHMKIN-VIFPVBQESA-N 0 2 312.347 1.531 20 30 DDEDLN C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001120844672 782181525 /nfs/dbraw/zinc/18/15/25/782181525.db2.gz KQDZPINFEQRHGY-OIBJUYFYSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001120844672 782181528 /nfs/dbraw/zinc/18/15/28/782181528.db2.gz KQDZPINFEQRHGY-OIBJUYFYSA-N 0 2 319.262 1.507 20 30 DDEDLN CN(C(=O)C[N@@H+]1CCCC[C@@H]1C(=O)[O-])C1(C#N)CCCCC1 ZINC000737922193 601575727 /nfs/dbraw/zinc/57/57/27/601575727.db2.gz RHTZIXJYKAHELL-CYBMUJFWSA-N 0 2 307.394 1.610 20 30 DDEDLN CN(C(=O)C[N@H+]1CCCC[C@@H]1C(=O)[O-])C1(C#N)CCCCC1 ZINC000737922193 601575729 /nfs/dbraw/zinc/57/57/29/601575729.db2.gz RHTZIXJYKAHELL-CYBMUJFWSA-N 0 2 307.394 1.610 20 30 DDEDLN C[C@@H](CNC(=O)[O-])[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000824967817 603562652 /nfs/dbraw/zinc/56/26/52/603562652.db2.gz VZKKRRINMNALDY-JTQLQIEISA-N 0 2 315.333 1.696 20 30 DDEDLN C[C@@H](CNC(=O)[O-])[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000824967817 603562654 /nfs/dbraw/zinc/56/26/54/603562654.db2.gz VZKKRRINMNALDY-JTQLQIEISA-N 0 2 315.333 1.696 20 30 DDEDLN C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738614908 605928341 /nfs/dbraw/zinc/92/83/41/605928341.db2.gz CTKPYVKSUONPQJ-NEPJUHHUSA-N 0 2 308.382 1.059 20 30 DDEDLN C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738614908 605928345 /nfs/dbraw/zinc/92/83/45/605928345.db2.gz CTKPYVKSUONPQJ-NEPJUHHUSA-N 0 2 308.382 1.059 20 30 DDEDLN C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738641092 605930269 /nfs/dbraw/zinc/93/02/69/605930269.db2.gz XJKUXUKDKKZNCD-PWSUYJOCSA-N 0 2 302.334 1.227 20 30 DDEDLN C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738641092 605930274 /nfs/dbraw/zinc/93/02/74/605930274.db2.gz XJKUXUKDKKZNCD-PWSUYJOCSA-N 0 2 302.334 1.227 20 30 DDEDLN COc1ncnc(N)c1C=[NH+]Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000747624052 700078172 /nfs/dbraw/zinc/07/81/72/700078172.db2.gz IHNWOLHOVNPYLP-UHFFFAOYSA-N 0 2 321.724 1.865 20 30 DDEDLN CCC(C)(C)N(CCC#N)C(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000787941416 699257106 /nfs/dbraw/zinc/25/71/06/699257106.db2.gz AOMRVIYBZUNUPT-UHFFFAOYSA-N 0 2 316.365 1.002 20 30 DDEDLN N#C[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000742646183 699885037 /nfs/dbraw/zinc/88/50/37/699885037.db2.gz IPVLVCORXPFHDX-VHSXEESVSA-N 0 2 322.777 1.577 20 30 DDEDLN C[C@H](NC(=S)NN=Cc1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000751531647 700297286 /nfs/dbraw/zinc/29/72/86/700297286.db2.gz NAIPFQCTESJEFX-QMMMGPOBSA-N 0 2 308.363 1.897 20 30 DDEDLN CC(=CS(C)(=O)=O)NN=c1[nH]c(C(F)(F)F)cs1 ZINC000755903189 700591189 /nfs/dbraw/zinc/59/11/89/700591189.db2.gz HJOXTIMCUHSMKC-UHFFFAOYSA-N 0 2 301.315 1.994 20 30 DDEDLN C[C@@H](OC(=O)c1cc(F)c(O)c(F)c1)C(=O)N(C)CCC#N ZINC000759547923 700758100 /nfs/dbraw/zinc/75/81/00/700758100.db2.gz JEVUFYNWCXFZMJ-MRVPVSSYSA-N 0 2 312.272 1.588 20 30 DDEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)OCC1(C#N)CCOCC1 ZINC000759629483 700763049 /nfs/dbraw/zinc/76/30/49/700763049.db2.gz CXALLSWDGYCKID-UHFFFAOYSA-N 0 2 322.283 1.307 20 30 DDEDLN CC(C)(C)n1ncc2c1[nH]c(NN=C[C@@H]1CCOC1)nc2=O ZINC000769810619 701257278 /nfs/dbraw/zinc/25/72/78/701257278.db2.gz RGTQJWPDVSAZOY-VIFPVBQESA-N 0 2 304.354 1.721 20 30 DDEDLN CC(C)(C)n1ncc2c1nc(N=NC[C@@H]1CCOC1)[nH]c2=O ZINC000769810619 701257280 /nfs/dbraw/zinc/25/72/80/701257280.db2.gz RGTQJWPDVSAZOY-VIFPVBQESA-N 0 2 304.354 1.721 20 30 DDEDLN C[C@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)n1cc[nH+]c1 ZINC000845508341 703165839 /nfs/dbraw/zinc/16/58/39/703165839.db2.gz KWFKTVPLLQCKLO-GFCCVEGCSA-N 0 2 324.406 1.364 20 30 DDEDLN C=CCCONC(=O)c1cccc(C(=O)NOCCC=C)c1O ZINC000856035153 704510559 /nfs/dbraw/zinc/51/05/59/704510559.db2.gz WTAGYKJPCRRJJX-UHFFFAOYSA-N 0 2 320.345 1.867 20 30 DDEDLN C#CCC[C@@H](O)CNS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000867226549 706930944 /nfs/dbraw/zinc/93/09/44/706930944.db2.gz NWDYACORVNHGGO-SECBINFHSA-N 0 2 318.782 1.258 20 30 DDEDLN C[C@@H](c1ccc(C#N)cc1)n1cc(CNC(=O)C(F)(F)F)nn1 ZINC000881303501 707188949 /nfs/dbraw/zinc/18/89/49/707188949.db2.gz CCLJZOKJUIXELD-VIFPVBQESA-N 0 2 323.278 1.938 20 30 DDEDLN O=C(NC[C@H](O)C(F)(F)C(F)(F)F)C(F)C(F)(F)F ZINC000882555637 707693501 /nfs/dbraw/zinc/69/35/01/707693501.db2.gz CIJZKMZNFRQAEX-HRFVKAFMSA-N 0 2 307.112 1.562 20 30 DDEDLN C[C@@]1(C#N)CN(C(=O)C2=NN(c3ccccc3)CC2=O)CCO1 ZINC000887678823 709099964 /nfs/dbraw/zinc/09/99/64/709099964.db2.gz KGSYNHCYECCOJG-MRXNPFEDSA-N 0 2 312.329 1.333 20 30 DDEDLN Cc1cc(O)c(C(=O)C=Cc2cccc3c2CCOC3)c(=O)o1 ZINC000901417639 710033131 /nfs/dbraw/zinc/03/31/31/710033131.db2.gz RHNCHMGRFBJXJV-KEGWNNHHSA-N 0 2 312.321 1.988 20 30 DDEDLN C=CCSCCNC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000915204904 713412478 /nfs/dbraw/zinc/41/24/78/713412478.db2.gz HVROCNWBAUIMLP-SNVBAGLBSA-N 0 2 311.411 1.319 20 30 DDEDLN C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)C(F)C(F)(F)F ZINC001104847859 737278424 /nfs/dbraw/zinc/27/84/24/737278424.db2.gz OXMYVCFTFGCVMH-XCBNKYQSSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001104847859 737278429 /nfs/dbraw/zinc/27/84/29/737278429.db2.gz OXMYVCFTFGCVMH-XCBNKYQSSA-N 0 2 319.262 1.507 20 30 DDEDLN N#Cc1cnccc1N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001059097696 739933256 /nfs/dbraw/zinc/93/32/56/739933256.db2.gz MKHNYBZJNZPCPL-ONGXEEELSA-N 0 2 316.258 1.288 20 30 DDEDLN N#Cc1cnccc1N[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001059097696 739933257 /nfs/dbraw/zinc/93/32/57/739933257.db2.gz MKHNYBZJNZPCPL-ONGXEEELSA-N 0 2 316.258 1.288 20 30 DDEDLN C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001088674850 742070251 /nfs/dbraw/zinc/07/02/51/742070251.db2.gz ZWPXZBHHZIQGNN-FMKPAKJESA-N 0 2 302.422 1.601 20 30 DDEDLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001076857590 743053553 /nfs/dbraw/zinc/05/35/53/743053553.db2.gz UBJUYFDSHPXYTF-GXSJLCMTSA-N 0 2 324.318 1.947 20 30 DDEDLN C[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001076857590 743053565 /nfs/dbraw/zinc/05/35/65/743053565.db2.gz UBJUYFDSHPXYTF-GXSJLCMTSA-N 0 2 324.318 1.947 20 30 DDEDLN COc1cc(C#N)c(F)cc1NC(=O)C(CO)C(F)(F)F ZINC001183284478 743819234 /nfs/dbraw/zinc/81/92/34/743819234.db2.gz LLMZAOOGVDGQMV-ZETCQYMHSA-N 0 2 306.215 1.815 20 30 DDEDLN COc1cc(C#N)c(F)cc1NC(=O)[C@H](CO)C(F)(F)F ZINC001183284478 743819240 /nfs/dbraw/zinc/81/92/40/743819240.db2.gz LLMZAOOGVDGQMV-ZETCQYMHSA-N 0 2 306.215 1.815 20 30 DDEDLN N#Cc1cncc(NS(=O)(=O)Cc2cc(F)cc(F)c2)n1 ZINC001185088656 744151895 /nfs/dbraw/zinc/15/18/95/744151895.db2.gz XUMAJOZNGQQSAL-UHFFFAOYSA-N 0 2 310.285 1.568 20 30 DDEDLN Cc1c(Nc2[nH]c(=O)n(C)c(=O)c2C#N)cnn1-c1ccccc1 ZINC001185856790 744300745 /nfs/dbraw/zinc/30/07/45/744300745.db2.gz FDQRIKVMLDTKOT-UHFFFAOYSA-N 0 2 322.328 1.183 20 30 DDEDLN C[C@@H](CCNc1nccnc1C#N)NC(=O)C(F)C(F)(F)F ZINC001106604005 745827914 /nfs/dbraw/zinc/82/79/14/745827914.db2.gz UIVNMOURNDYSMC-IONNQARKSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001106604005 745827921 /nfs/dbraw/zinc/82/79/21/745827921.db2.gz UIVNMOURNDYSMC-IONNQARKSA-N 0 2 319.262 1.555 20 30 DDEDLN COCCn1cncc1CNC(=O)c1cccc(C#N)c1O ZINC001193657951 746168945 /nfs/dbraw/zinc/16/89/45/746168945.db2.gz MXXLCORMBAWPAC-UHFFFAOYSA-N 0 2 300.318 1.037 20 30 DDEDLN Cc1ccc(C(=NC(=O)c2c(C)cc(O)cc2O)NO)nc1 ZINC001193945285 746248214 /nfs/dbraw/zinc/24/82/14/746248214.db2.gz BGLZQXNCOQTUGK-UHFFFAOYSA-N 0 2 301.302 1.675 20 30 DDEDLN N#CCNC1C[C@H]2CCC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC001039276815 761905799 /nfs/dbraw/zinc/90/57/99/761905799.db2.gz XJCIQIJTNRJIAD-HUAZRZQGSA-N 0 2 307.291 1.912 20 30 DDEDLN N#CCNC1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](F)C(F)(F)F ZINC001039276815 761905802 /nfs/dbraw/zinc/90/58/02/761905802.db2.gz XJCIQIJTNRJIAD-HUAZRZQGSA-N 0 2 307.291 1.912 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001098327804 764309608 /nfs/dbraw/zinc/30/96/08/764309608.db2.gz PSLNLNXKHIVEDB-RCOVLWMOSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001098327804 764309611 /nfs/dbraw/zinc/30/96/11/764309611.db2.gz PSLNLNXKHIVEDB-RCOVLWMOSA-N 0 2 305.235 1.165 20 30 DDEDLN CCOC(=O)C(C#N)Nc1nc2ccccc2nc1C(C#N)C#N ZINC001170367650 766267416 /nfs/dbraw/zinc/26/74/16/766267416.db2.gz HHXDVPWLEQLQPW-CYBMUJFWSA-N 0 2 320.312 1.628 20 30 DDEDLN CCOC(=O)[C@@H](C#N)Nc1nc2ccccc2nc1C(C#N)C#N ZINC001170367650 766267423 /nfs/dbraw/zinc/26/74/23/766267423.db2.gz HHXDVPWLEQLQPW-CYBMUJFWSA-N 0 2 320.312 1.628 20 30 DDEDLN N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001130481312 767557584 /nfs/dbraw/zinc/55/75/84/767557584.db2.gz PMJDQXOUJHSKRP-INIZCTEOSA-N 0 2 323.400 1.223 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132330446 768758484 /nfs/dbraw/zinc/75/84/84/768758484.db2.gz HKGNNZJNFGIUAQ-VXGBXAGGSA-N 0 2 321.425 1.582 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132330446 768758486 /nfs/dbraw/zinc/75/84/86/768758486.db2.gz HKGNNZJNFGIUAQ-VXGBXAGGSA-N 0 2 321.425 1.582 20 30 DDEDLN COC(=O)[C@@]1(C)COCCN1C(=O)[C@@H](C#N)Cc1cccs1 ZINC001177912023 778781010 /nfs/dbraw/zinc/78/10/10/778781010.db2.gz KVLHDZWUGQOMLP-IAQYHMDHSA-N 0 2 322.386 1.221 20 30 DDEDLN C=CCC1(C(=O)NCC[N@@H+](CC)Cc2n[nH]c(=O)[n-]2)CCC1 ZINC001266416893 836226868 /nfs/dbraw/zinc/22/68/68/836226868.db2.gz POVOCRCJRFFOIP-UHFFFAOYSA-N 0 2 307.398 1.195 20 30 DDEDLN C=CCC1(C(=O)NCC[N@H+](CC)Cc2n[nH]c(=O)[n-]2)CCC1 ZINC001266416893 836226878 /nfs/dbraw/zinc/22/68/78/836226878.db2.gz POVOCRCJRFFOIP-UHFFFAOYSA-N 0 2 307.398 1.195 20 30 DDEDLN COc1ccc2cc(O)c(C(=O)n3nc(N)c(C#N)c3N)cc2c1 ZINC001154749407 861421482 /nfs/dbraw/zinc/42/14/82/861421482.db2.gz KVJLFAJPGQDNKI-UHFFFAOYSA-N 0 2 323.312 1.475 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1(CNC(=O)C(F)C(F)(F)F)CCCC1 ZINC001409469847 845145395 /nfs/dbraw/zinc/14/53/95/845145395.db2.gz ACOHTURAWPVOSA-DTWKUNHWSA-N 0 2 323.290 1.592 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H](F)C(F)(F)F)CCCC1 ZINC001409469847 845145398 /nfs/dbraw/zinc/14/53/98/845145398.db2.gz ACOHTURAWPVOSA-DTWKUNHWSA-N 0 2 323.290 1.592 20 30 DDEDLN C=CCN1C(=O)COCC12CN(Cc1ccc(F)c(F)c1O)C2 ZINC001274030649 851868065 /nfs/dbraw/zinc/86/80/65/851868065.db2.gz STIUBANNDJGJCA-UHFFFAOYSA-N 0 2 324.327 1.270 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cccc2c1OCCO2 ZINC001412777288 855259603 /nfs/dbraw/zinc/25/96/03/855259603.db2.gz VWMNSNWIVXSRDW-UHFFFAOYSA-N 0 2 311.297 1.991 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1ncccc1C#N ZINC001095758730 855323455 /nfs/dbraw/zinc/32/34/55/855323455.db2.gz UZZVFKBVAUXQTH-JTQLQIEISA-N 0 2 318.274 1.796 20 30 DDEDLN CN(CCCNC(=O)[C@H](F)C(F)(F)F)c1ncccc1C#N ZINC001095758730 855323460 /nfs/dbraw/zinc/32/34/60/855323460.db2.gz UZZVFKBVAUXQTH-JTQLQIEISA-N 0 2 318.274 1.796 20 30 DDEDLN CCOc1cccc(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)n1 ZINC001122646228 858926020 /nfs/dbraw/zinc/92/60/20/858926020.db2.gz CLCPJWCQYNVQPA-LBPRGKRZSA-N 0 2 312.329 1.348 20 30 DDEDLN C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CCOCC1 ZINC001345994961 873587114 /nfs/dbraw/zinc/58/71/14/873587114.db2.gz ZPHFKQRSOLZFME-UHFFFAOYSA-N 0 2 309.761 1.129 20 30 DDEDLN O=C(C#CC1CC1)N[C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001353606811 877446670 /nfs/dbraw/zinc/44/66/70/877446670.db2.gz GQLXNHMRNWGUMI-QXEWZRGKSA-N 0 2 306.259 1.064 20 30 DDEDLN O=C(C#CC1CC1)N[C@H]1C[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001353606811 877446672 /nfs/dbraw/zinc/44/66/72/877446672.db2.gz GQLXNHMRNWGUMI-QXEWZRGKSA-N 0 2 306.259 1.064 20 30 DDEDLN C=CC(C)(C)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]21 ZINC001221577893 879952819 /nfs/dbraw/zinc/95/28/19/879952819.db2.gz KTLZWGBGZWPHBM-VXGBXAGGSA-N 0 2 319.409 1.145 20 30 DDEDLN COc1ccc(OC)c(/C(=N/O)O[C@H](C[N+](=O)[O-])C2CC2)c1 ZINC001223892982 881134922 /nfs/dbraw/zinc/13/49/22/881134922.db2.gz OLVOEQWALSUTGI-FARYLTDUSA-N 0 2 310.306 1.912 20 30 DDEDLN COc1ccc(OC)c(/C(=N/O)O[C@H]2CCN(CC#N)C2)c1 ZINC001223893247 881137905 /nfs/dbraw/zinc/13/79/05/881137905.db2.gz SZEFKYAGBLHCLX-JTFSYWPOSA-N 0 2 305.334 1.454 20 30 DDEDLN O=C1C=C[C@H](Oc2ccc(C[C@H]3SC(=O)NC3=O)cc2)C1 ZINC001229617325 884079123 /nfs/dbraw/zinc/07/91/23/884079123.db2.gz OJPJXWSSZFQSHP-QWHCGFSZSA-N 0 2 303.339 1.857 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2cccc(F)c2OC(F)F)c1=O ZINC001364614960 889040949 /nfs/dbraw/zinc/04/09/49/889040949.db2.gz HJZJRZJABCFNSV-UHFFFAOYSA-N 0 2 311.219 1.197 20 30 DDEDLN CC(C)[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)c1cccnc1 ZINC001365218829 890376679 /nfs/dbraw/zinc/37/66/79/890376679.db2.gz XFRQNEQPHRPUBV-ZDUSSCGKSA-N 0 2 313.361 1.192 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001252060889 894991343 /nfs/dbraw/zinc/99/13/43/894991343.db2.gz VQJKSXURNUXTTK-CYBMUJFWSA-N 0 2 324.402 1.718 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1cc(O)cc(C(N)=O)c1 ZINC001258290274 898129467 /nfs/dbraw/zinc/12/94/67/898129467.db2.gz NHPHQCUUZIZLNR-UHFFFAOYSA-N 0 2 317.326 1.164 20 30 DDEDLN CC(C)C#CC(=O)N[C@@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001299534664 898322258 /nfs/dbraw/zinc/32/22/58/898322258.db2.gz YFSTWVBBDSZVTE-YPMHNXCESA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)N[C@@]1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001299534664 898322275 /nfs/dbraw/zinc/32/22/75/898322275.db2.gz YFSTWVBBDSZVTE-YPMHNXCESA-N 0 2 322.302 1.653 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2ccc3c(c2)CCC3)cn1 ZINC001259855448 898870626 /nfs/dbraw/zinc/87/06/26/898870626.db2.gz JKRCHZBLTHOKAA-UHFFFAOYSA-N 0 2 300.343 1.638 20 30 DDEDLN C[C@H](CN(C)C(=O)C(F)C(F)(F)F)NC(=O)C#CC1CC1 ZINC001281013556 904318601 /nfs/dbraw/zinc/31/86/01/904318601.db2.gz WXWUBFKUKNTSMJ-KCJUWKMLSA-N 0 2 308.275 1.263 20 30 DDEDLN C[C@H](CN(C)C(=O)[C@H](F)C(F)(F)F)NC(=O)C#CC1CC1 ZINC001281013556 904318615 /nfs/dbraw/zinc/31/86/15/904318615.db2.gz WXWUBFKUKNTSMJ-KCJUWKMLSA-N 0 2 308.275 1.263 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1cc(OC)c(OC)cc1OC ZINC000416952090 529588377 /nfs/dbraw/zinc/58/83/77/529588377.db2.gz IZWUTWZWFXGBIJ-SECBINFHSA-N 0 2 314.363 1.756 20 30 DDEDLN CN(C)c1cccc(S(=O)(=O)Nc2cc(C#N)ccn2)c1 ZINC000494486478 529793689 /nfs/dbraw/zinc/79/36/89/529793689.db2.gz UOAPZDWDGJQDAY-UHFFFAOYSA-N 0 2 302.359 1.820 20 30 DDEDLN Cc1cc(C(=O)N([C@@H](C)C#N)C2CC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000598128041 357468754 /nfs/dbraw/zinc/46/87/54/357468754.db2.gz GNBKVVUMRNNXMZ-QMMMGPOBSA-N 0 2 313.317 1.261 20 30 DDEDLN C[C@@H]1CN(C(=O)c2c(O)cc(F)cc2F)C[C@@H](C)N1CC#N ZINC000603097800 359402024 /nfs/dbraw/zinc/40/20/24/359402024.db2.gz GKCDVEUSLRWAJY-NXEZZACHSA-N 0 2 309.316 1.729 20 30 DDEDLN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000610863995 360555309 /nfs/dbraw/zinc/55/53/09/360555309.db2.gz XOBODAJDIRMRCY-UHFFFAOYSA-N 0 2 322.371 1.223 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(Cn3cccn3)cc2)[nH]c1C#N ZINC000026268208 248185346 /nfs/dbraw/zinc/18/53/46/248185346.db2.gz VKXWYYZJYDLNSY-UHFFFAOYSA-N 0 2 317.312 1.650 20 30 DDEDLN COC(=O)c1cccc(F)c1NS(=O)(=O)c1ccc(C#N)o1 ZINC000340975135 251313537 /nfs/dbraw/zinc/31/35/37/251313537.db2.gz SCQIGJPOAOAVBY-UHFFFAOYSA-N 0 2 324.289 1.878 20 30 DDEDLN N#Cc1cccc(C2(NS(=O)(=O)NCC(F)(F)F)CC2)c1 ZINC000341082350 251369787 /nfs/dbraw/zinc/36/97/87/251369787.db2.gz VJSDFPYAAUPDFJ-UHFFFAOYSA-N 0 2 319.308 1.534 20 30 DDEDLN C=CCn1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1ccoc1C ZINC000092869930 407192776 /nfs/dbraw/zinc/19/27/76/407192776.db2.gz SGQLQMJHBWEXGK-UHFFFAOYSA-N 0 2 318.362 1.736 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1nnc(C)s1 ZINC000185626782 407464823 /nfs/dbraw/zinc/46/48/23/407464823.db2.gz XMGJTEJGMZYPSG-UHFFFAOYSA-N 0 2 310.360 1.528 20 30 DDEDLN N#Cc1nc(NC(=O)C[C@H]2C(=O)Nc3ccccc32)[nH]c1C#N ZINC000132530444 407789350 /nfs/dbraw/zinc/78/93/50/407789350.db2.gz ATXACPJYIAKJIQ-SECBINFHSA-N 0 2 306.285 1.218 20 30 DDEDLN COC(=O)Cc1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000188200277 407922332 /nfs/dbraw/zinc/92/23/32/407922332.db2.gz IQWMYFGFOCVEQE-UHFFFAOYSA-N 0 2 309.285 1.121 20 30 DDEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)c1ccnn1CC ZINC000274456727 408412547 /nfs/dbraw/zinc/41/25/47/408412547.db2.gz SATSIQOGIMKTFB-UHFFFAOYSA-N 0 2 320.374 1.974 20 30 DDEDLN CCCc1nnc(NS(=O)(=O)c2ccc(C#N)c(F)c2)o1 ZINC000291814802 408928278 /nfs/dbraw/zinc/92/82/78/408928278.db2.gz DFWGECFCFNPZBH-UHFFFAOYSA-N 0 2 310.310 1.834 20 30 DDEDLN COCCn1ccc(NS(=O)(=O)c2ccc(C#N)c(C)c2)n1 ZINC000277600525 408974370 /nfs/dbraw/zinc/97/43/70/408974370.db2.gz MJABZVRNQYNRGL-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)c1 ZINC000357141779 409901468 /nfs/dbraw/zinc/90/14/68/409901468.db2.gz BEXPOOBPAZLPHR-UHFFFAOYSA-N 0 2 300.303 1.025 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c1 ZINC000357141779 409901476 /nfs/dbraw/zinc/90/14/76/409901476.db2.gz BEXPOOBPAZLPHR-UHFFFAOYSA-N 0 2 300.303 1.025 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc3ccccc3c(=O)o2)[nH]c1C#N ZINC000351305784 410057162 /nfs/dbraw/zinc/05/71/62/410057162.db2.gz ROOZUZIVNYDAOB-UHFFFAOYSA-N 0 2 305.253 1.512 20 30 DDEDLN CN1CCOC[C@@H]1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000329125682 410116009 /nfs/dbraw/zinc/11/60/09/410116009.db2.gz MKDCXBMQWPIUSP-LLVKDONJSA-N 0 2 303.322 1.096 20 30 DDEDLN N#CCc1cccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)c1 ZINC000329182219 410153062 /nfs/dbraw/zinc/15/30/62/410153062.db2.gz OLWXJCWBWWEHSJ-CYBMUJFWSA-N 0 2 311.345 1.944 20 30 DDEDLN Cn1nc([N+](=O)[O-])cc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000357781667 410244643 /nfs/dbraw/zinc/24/46/43/410244643.db2.gz SNWBJWTXWLFVDG-VIFPVBQESA-N 0 2 324.300 1.705 20 30 DDEDLN CC(C)Cc1ncc(NS(=O)(=O)c2ccc(C#N)nc2)cn1 ZINC000355878467 410714786 /nfs/dbraw/zinc/71/47/86/410714786.db2.gz IJEANOUJNZZMEX-UHFFFAOYSA-N 0 2 317.374 1.743 20 30 DDEDLN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)nn1 ZINC000194982260 222189086 /nfs/dbraw/zinc/18/90/86/222189086.db2.gz IOKNEXQTZRSLSA-UHFFFAOYSA-N 0 2 318.358 1.936 20 30 DDEDLN N#CCN1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000267177583 222376644 /nfs/dbraw/zinc/37/66/44/222376644.db2.gz NGKNMGGKYQQRFN-LLVKDONJSA-N 0 2 318.333 1.266 20 30 DDEDLN COCCS(=O)(=O)Nc1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000375328354 418629575 /nfs/dbraw/zinc/62/95/75/418629575.db2.gz NIYZMZNNJZSACR-UHFFFAOYSA-N 0 2 320.374 1.441 20 30 DDEDLN C=C(C)CS(=O)(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000378047191 418718084 /nfs/dbraw/zinc/71/80/84/418718084.db2.gz NSOYTHNENHQYAL-UHFFFAOYSA-N 0 2 308.363 1.804 20 30 DDEDLN Cc1csc(C(C#N)C(=O)Cn2cc([N+](=O)[O-])c(C)n2)n1 ZINC000273065898 222467060 /nfs/dbraw/zinc/46/70/60/222467060.db2.gz CKNVAOORTUAUIP-VIFPVBQESA-N 0 2 305.319 1.741 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1c(C)noc1C ZINC000361645784 418696072 /nfs/dbraw/zinc/69/60/72/418696072.db2.gz RWOZVNOHXKDODV-UHFFFAOYSA-N 0 2 307.331 1.973 20 30 DDEDLN C=CCNC(=O)CNC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000365567878 418877169 /nfs/dbraw/zinc/87/71/69/418877169.db2.gz UUTBLBCEHCEMQT-UHFFFAOYSA-N 0 2 323.403 1.112 20 30 DDEDLN C=CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)OCC ZINC000456615918 420515128 /nfs/dbraw/zinc/51/51/28/420515128.db2.gz XGMSQEVSHSCYII-GFCCVEGCSA-N 0 2 322.317 1.928 20 30 DDEDLN N#Cc1nc(NCCCc2n[nH]c(=O)[nH]2)ccc1C(F)(F)F ZINC000443506099 420752238 /nfs/dbraw/zinc/75/22/38/420752238.db2.gz ANSWLXRBJMNJOJ-UHFFFAOYSA-N 0 2 312.255 1.840 20 30 DDEDLN CC(C)(C)c1nc(=NC(=O)Cc2ccc(C#N)nc2)s[nH]1 ZINC000528391558 421485695 /nfs/dbraw/zinc/48/56/95/421485695.db2.gz CWLVFPWVTJNFOE-UHFFFAOYSA-N 0 2 301.375 1.705 20 30 DDEDLN C=C[C@](C)(CCOC)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000572605705 421805712 /nfs/dbraw/zinc/80/57/12/421805712.db2.gz VPNOJXSXEGEJRH-IAQYHMDHSA-N 0 2 308.382 1.445 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)c1 ZINC000581859433 422054773 /nfs/dbraw/zinc/05/47/73/422054773.db2.gz JCERYZVGFPJBIW-ZDUSSCGKSA-N 0 2 318.358 1.934 20 30 DDEDLN Cc1ccsc1-c1nc(=NC(=O)NCC#CCO)s[nH]1 ZINC000639991501 424031957 /nfs/dbraw/zinc/03/19/57/424031957.db2.gz MEKRGUMPCFXLCU-UHFFFAOYSA-N 0 2 308.388 1.114 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cc(O)cc(F)c2)cc1C#N ZINC000427254099 268086657 /nfs/dbraw/zinc/08/66/57/268086657.db2.gz WJJRTMUTCNLABP-UHFFFAOYSA-N 0 2 307.306 1.907 20 30 DDEDLN N#Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)COC3)c1 ZINC000352881011 268299254 /nfs/dbraw/zinc/29/92/54/268299254.db2.gz BLTDYKXOAKHQGF-UHFFFAOYSA-N 0 2 301.327 1.784 20 30 DDEDLN N#Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000352859292 268299316 /nfs/dbraw/zinc/29/93/16/268299316.db2.gz QOGKKIJRASJLSI-UHFFFAOYSA-N 0 2 317.326 1.525 20 30 DDEDLN N#Cc1ncn(-c2ccccc2NS(=O)(=O)c2ccoc2)n1 ZINC000357359730 268332930 /nfs/dbraw/zinc/33/29/30/268332930.db2.gz SYIYHKCYUWSUIO-UHFFFAOYSA-N 0 2 315.314 1.533 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2cccc(C)n2)cc1C#N ZINC000130520818 281383815 /nfs/dbraw/zinc/38/38/15/281383815.db2.gz AUVHKDXFIMZUMM-UHFFFAOYSA-N 0 2 314.370 1.602 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(CC(F)F)C2CC2)cc1C#N ZINC000134256152 281533752 /nfs/dbraw/zinc/53/37/52/281533752.db2.gz YRLSMTJHIIVASB-UHFFFAOYSA-N 0 2 313.329 1.838 20 30 DDEDLN COc1ccc2c(c1)[C@@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)CC2 ZINC000278320781 295269558 /nfs/dbraw/zinc/26/95/58/295269558.db2.gz YUPZFDJSSSFLPT-NSHDSACASA-N 0 2 307.313 1.830 20 30 DDEDLN N#Cc1nc(NC(=O)Cc2ccc(O)cc2Cl)[nH]c1C#N ZINC000162713855 298201528 /nfs/dbraw/zinc/20/15/28/298201528.db2.gz OZLBRRJSXBKZAE-UHFFFAOYSA-N 0 2 301.693 1.693 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)C[C@H]1CCCCO1 ZINC000547414856 303528784 /nfs/dbraw/zinc/52/87/84/303528784.db2.gz RARWARGHTRLYTQ-GFCCVEGCSA-N 0 2 310.375 1.878 20 30 DDEDLN COc1cc(C(=O)[C@H](C#N)c2nc3c(nccc3C)[nH]2)nn1C ZINC000548466828 341261964 /nfs/dbraw/zinc/26/19/64/341261964.db2.gz DCJRGMNMVBHGKM-VIFPVBQESA-N 0 2 310.317 1.499 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(C#N)c(C)c2)nn1 ZINC000446772379 534188132 /nfs/dbraw/zinc/18/81/32/534188132.db2.gz HMOKCCSHMADTRP-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN COc1c(C)c[nH+]c(CNC(=O)[C@](C)(C#N)CC(=O)[O-])c1C ZINC000820754749 598225946 /nfs/dbraw/zinc/22/59/46/598225946.db2.gz LUUUWODGATWIBN-HNNXBMFYSA-N 0 2 305.334 1.328 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+](C)C[C@@H](C)C#N ZINC000737863086 599754021 /nfs/dbraw/zinc/75/40/21/599754021.db2.gz BBFPWOLZJRMTDM-WCQYABFASA-N 0 2 322.361 1.225 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)C[C@@H](C)C#N ZINC000737863086 599754023 /nfs/dbraw/zinc/75/40/23/599754023.db2.gz BBFPWOLZJRMTDM-WCQYABFASA-N 0 2 322.361 1.225 20 30 DDEDLN CN(C(=O)C[N@@H+]1CC[C@@](F)(C(=O)[O-])C1)C1(C#N)CCCCC1 ZINC000830478172 601441675 /nfs/dbraw/zinc/44/16/75/601441675.db2.gz LLSOGSNIHVPERQ-HNNXBMFYSA-N 0 2 311.357 1.170 20 30 DDEDLN CN(C(=O)C[N@H+]1CC[C@@](F)(C(=O)[O-])C1)C1(C#N)CCCCC1 ZINC000830478172 601441676 /nfs/dbraw/zinc/44/16/76/601441676.db2.gz LLSOGSNIHVPERQ-HNNXBMFYSA-N 0 2 311.357 1.170 20 30 DDEDLN N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000831137464 603574991 /nfs/dbraw/zinc/57/49/91/603574991.db2.gz ZIPCMUPJMKVDDS-CYBMUJFWSA-N 0 2 302.334 1.229 20 30 DDEDLN N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2CNC(=O)[O-])cc1 ZINC000831137464 603574996 /nfs/dbraw/zinc/57/49/96/603574996.db2.gz ZIPCMUPJMKVDDS-CYBMUJFWSA-N 0 2 302.334 1.229 20 30 DDEDLN CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824055266 603979384 /nfs/dbraw/zinc/97/93/84/603979384.db2.gz FOTAXKBBGSWNMI-WWGRRREGSA-N 0 2 322.409 1.258 20 30 DDEDLN CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824055266 603979388 /nfs/dbraw/zinc/97/93/88/603979388.db2.gz FOTAXKBBGSWNMI-WWGRRREGSA-N 0 2 322.409 1.258 20 30 DDEDLN N#C[C@H]1CN(C(=O)[O-])C[C@H]1[NH2+]CCC(=O)Nc1ccccc1 ZINC000833965601 605684288 /nfs/dbraw/zinc/68/42/88/605684288.db2.gz CCYODYRLGAWPCI-WCQYABFASA-N 0 2 302.334 1.107 20 30 DDEDLN C#Cc1cccc(NS(=O)(=O)c2cnn(CCOC)c2)c1 ZINC000747777943 700085786 /nfs/dbraw/zinc/08/57/86/700085786.db2.gz GMZJXPAPXMUBIT-UHFFFAOYSA-N 0 2 305.359 1.312 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(C=NN[C@@H](CO)c2ccccc2)c1 ZINC000788467624 699316350 /nfs/dbraw/zinc/31/63/50/699316350.db2.gz KFHWZMZPDUVQQJ-AWEZNQCLSA-N 0 2 301.302 1.958 20 30 DDEDLN O=[N+]([O-])c1ccc(C=NN[C@H](CO)c2ccccc2)cc1O ZINC000788469692 699316874 /nfs/dbraw/zinc/31/68/74/699316874.db2.gz RMHWCOCVLQRVNE-CYBMUJFWSA-N 0 2 301.302 1.958 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cc(C#N)ccc2O)cc1C#N ZINC000793407330 699754572 /nfs/dbraw/zinc/75/45/72/699754572.db2.gz YHPLKHHYVNOZJH-UHFFFAOYSA-N 0 2 314.326 1.640 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2cnn(CC#N)c2)cc(C)c1F ZINC000742029985 699858431 /nfs/dbraw/zinc/85/84/31/699858431.db2.gz MSVBYGNLYFADKR-UHFFFAOYSA-N 0 2 308.338 1.963 20 30 DDEDLN C[C@H](NC(=S)NN=Cc1ccc(O)c([N+](=O)[O-])c1)C1CC1 ZINC000751530062 700297414 /nfs/dbraw/zinc/29/74/14/700297414.db2.gz FMHTWGDFCCCHLY-QMMMGPOBSA-N 0 2 308.363 1.897 20 30 DDEDLN C=CCN(C(=O)C(F)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000764418982 700970174 /nfs/dbraw/zinc/97/01/74/700970174.db2.gz SFLWLBHADIBUSZ-HTQZYQBOSA-N 0 2 303.277 1.089 20 30 DDEDLN C=CCN(C(=O)[C@@H](F)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000764418982 700970175 /nfs/dbraw/zinc/97/01/75/700970175.db2.gz SFLWLBHADIBUSZ-HTQZYQBOSA-N 0 2 303.277 1.089 20 30 DDEDLN O=c1cn[nH]c(=S)n1N=Cc1cc(Cl)c(O)cc1Cl ZINC000766473412 701052753 /nfs/dbraw/zinc/05/27/53/701052753.db2.gz GFWJEDHKGVUJNM-UHFFFAOYSA-N 0 2 317.157 1.822 20 30 DDEDLN C=C[C@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)C(=O)OCC ZINC000842980611 702799352 /nfs/dbraw/zinc/79/93/52/702799352.db2.gz OBYCRUNVQRXVAF-ZETCQYMHSA-N 0 2 311.256 1.104 20 30 DDEDLN CO[C@](C)(C(=O)OC(C)(C)C)C(=O)C(C#N)c1ccncn1 ZINC000850947592 703767421 /nfs/dbraw/zinc/76/74/21/703767421.db2.gz IOFLAWWTTXGUSV-BMIGLBTASA-N 0 2 305.334 1.400 20 30 DDEDLN CO[C@](C)(C(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1ccncn1 ZINC000850947592 703767422 /nfs/dbraw/zinc/76/74/22/703767422.db2.gz IOFLAWWTTXGUSV-BMIGLBTASA-N 0 2 305.334 1.400 20 30 DDEDLN CCO[C@@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C1CCCC1 ZINC000870244175 703971252 /nfs/dbraw/zinc/97/12/52/703971252.db2.gz VUBVHELJZZWPFD-SWLSCSKDSA-N 0 2 303.362 1.907 20 30 DDEDLN C=CC1(S(=O)(=O)[N-]C(=O)Cc2cn3cc(F)ccc3[nH+]2)CC1 ZINC000870839976 704141169 /nfs/dbraw/zinc/14/11/69/704141169.db2.gz CXOMGRCPYUUYEK-UHFFFAOYSA-N 0 2 323.349 1.181 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C ZINC000872495508 707445852 /nfs/dbraw/zinc/44/58/52/707445852.db2.gz NACFNFXVNVUJRT-JJQCHNSYSA-N 0 2 310.441 1.061 20 30 DDEDLN C=CCC[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)[O-] ZINC000909081503 712933449 /nfs/dbraw/zinc/93/34/49/712933449.db2.gz DZBZTHWOEMQCGM-STQMWFEESA-N 0 2 318.377 1.379 20 30 DDEDLN CN1CCN(N=Cc2cc(Br)cc(F)c2O)CC1 ZINC000884370242 708267431 /nfs/dbraw/zinc/26/74/31/708267431.db2.gz DORAMHABQXIITD-UHFFFAOYSA-N 0 2 316.174 1.875 20 30 DDEDLN C=CCCC[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)C(=O)[O-] ZINC000910917056 710118655 /nfs/dbraw/zinc/11/86/55/710118655.db2.gz LJYYUJYNOHGCIX-NWDGAFQWSA-N 0 2 300.424 1.349 20 30 DDEDLN C#Cc1ccc(NS(=O)(=O)c2c(C)nn(COC)c2C)cc1 ZINC000901998436 710197267 /nfs/dbraw/zinc/19/72/67/710197267.db2.gz HAJIMCGXTXRVRI-UHFFFAOYSA-N 0 2 319.386 1.886 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)o1 ZINC000921857434 713887552 /nfs/dbraw/zinc/88/75/52/713887552.db2.gz STLSAMBFSPIBRD-XVKPBYJWSA-N 0 2 324.280 1.397 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)CC[C@@H]2C)C1 ZINC000968274401 719482980 /nfs/dbraw/zinc/48/29/80/719482980.db2.gz LJRFRKQNTYNQBK-NWDGAFQWSA-N 0 2 319.409 1.193 20 30 DDEDLN C#CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ncn[nH]1 ZINC000948970180 719815397 /nfs/dbraw/zinc/81/53/97/719815397.db2.gz TYWUBZNMAXVREK-OAHLLOKOSA-N 0 2 309.373 1.157 20 30 DDEDLN C#CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)c1ncn[nH]1 ZINC000948970180 719815405 /nfs/dbraw/zinc/81/54/05/719815405.db2.gz TYWUBZNMAXVREK-OAHLLOKOSA-N 0 2 309.373 1.157 20 30 DDEDLN CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001024618010 735985653 /nfs/dbraw/zinc/98/56/53/735985653.db2.gz OTYKHSVHRFEBNX-SJORKVTESA-N 0 2 321.465 1.090 20 30 DDEDLN NC(=O)c1ccc(C(N)=NC(=O)c2ccc(O)cc2F)cc1 ZINC001186339779 744389107 /nfs/dbraw/zinc/38/91/07/744389107.db2.gz POOSEMKTSYLAFP-UHFFFAOYSA-N 0 2 301.277 1.176 20 30 DDEDLN C[C@H](C#N)S(=O)(=O)Nc1ccc(S(=O)(=O)C2CC2)cc1 ZINC001193160487 746002769 /nfs/dbraw/zinc/00/27/69/746002769.db2.gz DHODWLOSDGHYRX-SECBINFHSA-N 0 2 314.388 1.276 20 30 DDEDLN COC(=O)CCCCS(=O)(=O)Nc1cc(C#N)ccc1O ZINC001196954428 747019483 /nfs/dbraw/zinc/01/94/83/747019483.db2.gz DKGYWUFABXVMCO-UHFFFAOYSA-N 0 2 312.347 1.349 20 30 DDEDLN CSc1nc(Cl)c(C=NO)c(N=C2CCOC2=O)n1 ZINC001162702130 751219258 /nfs/dbraw/zinc/21/92/58/751219258.db2.gz ABBCEAZJRNJKRT-UUILKARUSA-N 0 2 300.727 1.513 20 30 DDEDLN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001109635811 763902102 /nfs/dbraw/zinc/90/21/02/763902102.db2.gz SYMZYQUNEPITOM-NDBYEHHHSA-N 0 2 319.409 1.334 20 30 DDEDLN C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001109635811 763902105 /nfs/dbraw/zinc/90/21/05/763902105.db2.gz SYMZYQUNEPITOM-NDBYEHHHSA-N 0 2 319.409 1.334 20 30 DDEDLN N#CCCCCC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC001171151749 772445347 /nfs/dbraw/zinc/44/53/47/772445347.db2.gz JDPJCZWYZSAXFG-ZDUSSCGKSA-N 0 2 313.361 1.994 20 30 DDEDLN CN(CCNc1ncc(C#N)cc1F)C(=O)C(F)C(F)(F)F ZINC001102003290 777787244 /nfs/dbraw/zinc/78/72/44/777787244.db2.gz RXMMEHDESRPFTK-VIFPVBQESA-N 0 2 322.237 1.863 20 30 DDEDLN CN(CCNc1ncc(C#N)cc1F)C(=O)[C@H](F)C(F)(F)F ZINC001102003290 777787250 /nfs/dbraw/zinc/78/72/50/777787250.db2.gz RXMMEHDESRPFTK-VIFPVBQESA-N 0 2 322.237 1.863 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCCCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001005516096 848038217 /nfs/dbraw/zinc/03/82/17/848038217.db2.gz APGROCUVXBXCJY-GHMZBOCLSA-N 0 2 321.356 1.209 20 30 DDEDLN CSc1[n-]c(=O)c(C(=O)NCCc2[nH]cc[nH+]2)cc1C#N ZINC001412571941 854742187 /nfs/dbraw/zinc/74/21/87/854742187.db2.gz OFOJLWLBCCOIGK-UHFFFAOYSA-N 0 2 303.347 1.076 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1ccnc(C#N)n1 ZINC001095758421 855323383 /nfs/dbraw/zinc/32/33/83/855323383.db2.gz IBSUXAVRDCUAIP-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN CN(CCCNC(=O)[C@@H](F)C(F)(F)F)c1ccnc(C#N)n1 ZINC001095758421 855323387 /nfs/dbraw/zinc/32/33/87/855323387.db2.gz IBSUXAVRDCUAIP-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN Cn1c(=O)[nH]c(Nc2ccc(F)c(C(F)F)c2)c(C#N)c1=O ZINC001412905049 855773813 /nfs/dbraw/zinc/77/38/13/855773813.db2.gz OYCCOMQLFHQYJS-UHFFFAOYSA-N 0 2 310.235 1.766 20 30 DDEDLN COC(=O)C1(C#N)CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC001412934881 855798412 /nfs/dbraw/zinc/79/84/12/855798412.db2.gz ACTUWKFUXPOKDJ-UHFFFAOYSA-N 0 2 324.283 1.589 20 30 DDEDLN CCCCCCCNC(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001301252913 870982988 /nfs/dbraw/zinc/98/29/88/870982988.db2.gz YUCHNYQOCGEVQX-UHFFFAOYSA-N 0 2 318.377 1.966 20 30 DDEDLN CN(Cc1cc2ccccc2[nH]1)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001306989071 871390373 /nfs/dbraw/zinc/39/03/73/871390373.db2.gz XVJAXYNKZOSZBK-UHFFFAOYSA-N 0 2 309.329 1.063 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC001343617701 872688696 /nfs/dbraw/zinc/68/86/96/872688696.db2.gz MVSZMGCYTXLPHV-ZNMIVQPWSA-N 0 2 318.336 1.987 20 30 DDEDLN C#C[C@H](C)N(C)c1nnc(-c2n[nH]c(Cl)n2)n1CC1CC1 ZINC001346666919 873842879 /nfs/dbraw/zinc/84/28/79/873842879.db2.gz XQBPAHZKFHJANM-QMMMGPOBSA-N 0 2 305.773 1.585 20 30 DDEDLN C=CC[C@H](NC(=O)NCCc1cn2cccc(C)c2[nH+]1)C(=O)[O-] ZINC001354042037 877706411 /nfs/dbraw/zinc/70/64/11/877706411.db2.gz WFPOHQOHZBMKRM-ZDUSSCGKSA-N 0 2 316.361 1.514 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCCOCC1 ZINC001356152446 878892566 /nfs/dbraw/zinc/89/25/66/878892566.db2.gz DWWDVAJEYQDGGY-UHFFFAOYSA-N 0 2 309.761 1.129 20 30 DDEDLN C#C[C@](C)([NH3+])C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001220643536 879158649 /nfs/dbraw/zinc/15/86/49/879158649.db2.gz JQAOZQRVWOOFQL-KRWDZBQOSA-N 0 2 310.401 1.012 20 30 DDEDLN C#C[C@@H](C)N(C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC(=C)C ZINC001357160224 879823388 /nfs/dbraw/zinc/82/33/88/879823388.db2.gz OZRHIGDPRIWKED-GFCCVEGCSA-N 0 2 314.393 1.901 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2cccc(OC(F)(F)F)c2)c1=O ZINC001363763668 887164388 /nfs/dbraw/zinc/16/43/88/887164388.db2.gz UCDOPRGUYPZCHC-UHFFFAOYSA-N 0 2 311.219 1.355 20 30 DDEDLN C=CCCC(=O)N1C[C@H]2CCN(C(=O)C(F)C(F)(F)F)C[C@H]21 ZINC001289775770 913240501 /nfs/dbraw/zinc/24/05/01/913240501.db2.gz NIPSXJPEXJMHBL-CKYFFXLPSA-N 0 2 322.302 1.912 20 30 DDEDLN C=CCCC(=O)N1C[C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]21 ZINC001289775770 913240517 /nfs/dbraw/zinc/24/05/17/913240517.db2.gz NIPSXJPEXJMHBL-CKYFFXLPSA-N 0 2 322.302 1.912 20 30 DDEDLN N#Cc1ccsc1NC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001365513318 890957092 /nfs/dbraw/zinc/95/70/92/890957092.db2.gz IHFYONHFOMKUMI-VIFPVBQESA-N 0 2 318.362 1.855 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001251752194 894799906 /nfs/dbraw/zinc/79/99/06/894799906.db2.gz HTPYWFJJTYIAEN-SNVBAGLBSA-N 0 2 302.739 1.074 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1cccc(Cl)c1 ZINC001256840572 897597082 /nfs/dbraw/zinc/59/70/82/897597082.db2.gz NLZUXGNQZSSWCG-JTQLQIEISA-N 0 2 302.739 1.074 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2ccc3ncsc3c2)CCC1=O ZINC001259394522 898651675 /nfs/dbraw/zinc/65/16/75/898651675.db2.gz WFXICMSMZOFBJX-VIFPVBQESA-N 0 2 321.383 1.400 20 30 DDEDLN CC[C@@H](C)S(=O)(=O)Nc1c(C#N)cnc2c(C#N)cnn21 ZINC001260725356 899228512 /nfs/dbraw/zinc/22/85/12/899228512.db2.gz CHRCSIGBVRCPNQ-MRVPVSSYSA-N 0 2 304.335 1.013 20 30 DDEDLN C=C(Br)CN1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001391416907 901700906 /nfs/dbraw/zinc/70/09/06/901700906.db2.gz BCXCYASVPKUGRL-SSDOTTSWSA-N 0 2 319.096 1.596 20 30 DDEDLN C=C(Br)CN1CC(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001391416907 901700913 /nfs/dbraw/zinc/70/09/13/901700913.db2.gz BCXCYASVPKUGRL-SSDOTTSWSA-N 0 2 319.096 1.596 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCNc1cccc[nH+]1 ZINC001293929311 914778885 /nfs/dbraw/zinc/77/88/85/914778885.db2.gz UCLJLGXWPLUWDW-UHFFFAOYSA-N 0 2 311.345 1.594 20 30 DDEDLN N#Cc1cc(C(=O)NCCCNC(=O)C(F)C(F)(F)F)c[nH]1 ZINC001283227731 906940599 /nfs/dbraw/zinc/94/05/99/906940599.db2.gz HOYNVERDXONJNC-VIFPVBQESA-N 0 2 320.246 1.023 20 30 DDEDLN N#Cc1cc(C(=O)NCCCNC(=O)[C@H](F)C(F)(F)F)c[nH]1 ZINC001283227731 906940616 /nfs/dbraw/zinc/94/06/16/906940616.db2.gz HOYNVERDXONJNC-VIFPVBQESA-N 0 2 320.246 1.023 20 30 DDEDLN C=CCCC(=O)NC[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001284366964 908898476 /nfs/dbraw/zinc/89/84/76/908898476.db2.gz VVZZQXMRIYDOKX-GXSJLCMTSA-N 0 2 310.291 1.818 20 30 DDEDLN C=CCCC(=O)NC[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001284366964 908898487 /nfs/dbraw/zinc/89/84/87/908898487.db2.gz VVZZQXMRIYDOKX-GXSJLCMTSA-N 0 2 310.291 1.818 20 30 DDEDLN CCN(CCNC(=O)C#CC(C)(C)C)C(=O)C(F)C(F)(F)F ZINC001296297140 916332377 /nfs/dbraw/zinc/33/23/77/916332377.db2.gz DSLACLUOAMDNJU-NSHDSACASA-N 0 2 324.318 1.901 20 30 DDEDLN CCN(CCNC(=O)C#CC(C)(C)C)C(=O)[C@H](F)C(F)(F)F ZINC001296297140 916332397 /nfs/dbraw/zinc/33/23/97/916332397.db2.gz DSLACLUOAMDNJU-NSHDSACASA-N 0 2 324.318 1.901 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000416958910 529589553 /nfs/dbraw/zinc/58/95/53/529589553.db2.gz PKHDSHABKAUKQU-NWDGAFQWSA-N 0 2 310.375 1.898 20 30 DDEDLN CCc1nnc(NS(=O)(=O)c2ccc(C#N)c(F)c2)s1 ZINC000427745890 529769556 /nfs/dbraw/zinc/76/95/56/529769556.db2.gz FTCCYOYILSVBHF-UHFFFAOYSA-N 0 2 312.351 1.912 20 30 DDEDLN CCc1ccccc1N1CC(=O)C(C(=O)N(CC#N)CC#N)=N1 ZINC000597029576 357043733 /nfs/dbraw/zinc/04/37/33/357043733.db2.gz FTSIDOSXLHFXRV-UHFFFAOYSA-N 0 2 309.329 1.630 20 30 DDEDLN Cc1cc(N2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)c(C#N)c[nH+]1 ZINC000600674758 358278676 /nfs/dbraw/zinc/27/86/76/358278676.db2.gz HPZUEMNAHHTKQK-GFCCVEGCSA-N 0 2 312.333 1.393 20 30 DDEDLN C[C@H]1CN(C(=O)c2c(O)cc(F)cc2F)C[C@H](C)N1CC#N ZINC000603097804 359402119 /nfs/dbraw/zinc/40/21/19/359402119.db2.gz GKCDVEUSLRWAJY-UWVGGRQHSA-N 0 2 309.316 1.729 20 30 DDEDLN N#CCc1ccccc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000337861537 223250911 /nfs/dbraw/zinc/25/09/11/223250911.db2.gz MPWCSXPTIKJFKU-UHFFFAOYSA-N 0 2 302.359 1.696 20 30 DDEDLN CC(C)(C)n1cc(C#N)c(NS(=O)(=O)N2CCCCC2)n1 ZINC000123214785 207355391 /nfs/dbraw/zinc/35/53/91/207355391.db2.gz VYTIKTYHXVKVJB-UHFFFAOYSA-N 0 2 311.411 1.652 20 30 DDEDLN N#Cc1nc(NC(=O)CCCc2nc3ccccc3[nH]2)[nH]c1C#N ZINC000029711647 406925435 /nfs/dbraw/zinc/92/54/35/406925435.db2.gz YZIVTNBAIPPINE-UHFFFAOYSA-N 0 2 319.328 1.991 20 30 DDEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cnn(C)c2)c1 ZINC000055588774 407204692 /nfs/dbraw/zinc/20/46/92/407204692.db2.gz IMWFTQVEPYEZKD-UHFFFAOYSA-N 0 2 320.374 1.137 20 30 DDEDLN CC(C)Oc1ccc(C#N)cc1NC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000137197738 162125758 /nfs/dbraw/zinc/12/57/58/162125758.db2.gz MDKLHXGDVKALES-UHFFFAOYSA-N 0 2 316.321 1.079 20 30 DDEDLN C=CCCOCCNC(=O)C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000289460680 409276541 /nfs/dbraw/zinc/27/65/41/409276541.db2.gz UYRUGBKZURCHSQ-INIZCTEOSA-N 0 2 316.401 1.711 20 30 DDEDLN CC1(C)CCC(C(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000408485678 164346867 /nfs/dbraw/zinc/34/68/67/164346867.db2.gz HQHFMRMDHBCWAH-UHFFFAOYSA-N 0 2 321.402 1.975 20 30 DDEDLN CCOC(=O)CN(C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000338069382 409693518 /nfs/dbraw/zinc/69/35/18/409693518.db2.gz SCBPSBOFWXKRBY-UHFFFAOYSA-N 0 2 309.347 1.016 20 30 DDEDLN Cc1[nH]nc2nc(C)cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)c12 ZINC000338024413 409655979 /nfs/dbraw/zinc/65/59/79/409655979.db2.gz PGPZUDSRNWRDSK-UHFFFAOYSA-N 0 2 306.289 1.294 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)Cc2cc(C)on2)cc1C#N ZINC000349819876 409913254 /nfs/dbraw/zinc/91/32/54/409913254.db2.gz KTRNOEBJHXAOKC-UHFFFAOYSA-N 0 2 318.358 1.949 20 30 DDEDLN N#CC(C(=O)c1cn(Cc2ccccc2)nn1)c1ccncn1 ZINC000354468019 409879945 /nfs/dbraw/zinc/87/99/45/409879945.db2.gz OWPQBZNXXCCQNP-CYBMUJFWSA-N 0 2 304.313 1.606 20 30 DDEDLN N#C[C@@H](C(=O)c1cn(Cc2ccccc2)nn1)c1ccncn1 ZINC000354468019 409879952 /nfs/dbraw/zinc/87/99/52/409879952.db2.gz OWPQBZNXXCCQNP-CYBMUJFWSA-N 0 2 304.313 1.606 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359728492 410837531 /nfs/dbraw/zinc/83/75/31/410837531.db2.gz XIPWRHJMXFFSLL-UHFFFAOYSA-N 0 2 315.264 2.458 20 30 DDEDLN CN(CCOCc1ccc(C#N)cc1)C(=O)N=c1cccn[nH]1 ZINC000344402501 411099557 /nfs/dbraw/zinc/09/95/57/411099557.db2.gz QVVXQCZFDYOWJU-UHFFFAOYSA-N 0 2 311.345 2.029 20 30 DDEDLN C#CCOc1ccc(F)cc1NS(=O)(=O)C[C@@H](C)OC ZINC000193330939 222151380 /nfs/dbraw/zinc/15/13/80/222151380.db2.gz MFUZDOUWFMNUMP-SNVBAGLBSA-N 0 2 301.339 1.614 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cnc(C(C)C)nc2)cc1C#N ZINC000427305338 419635443 /nfs/dbraw/zinc/63/54/43/419635443.db2.gz SICFOPOLYSCBNA-UHFFFAOYSA-N 0 2 317.374 1.976 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)NC(=O)/C=C\c2ccccc2)cn1 ZINC000492746293 420650404 /nfs/dbraw/zinc/65/04/04/420650404.db2.gz BMHFVIVALYXTQB-TWGQIWQCSA-N 0 2 313.338 1.472 20 30 DDEDLN CCn1cc(S(=O)(=O)Nc2ccc(C#N)cc2OC)cn1 ZINC000545293798 421251083 /nfs/dbraw/zinc/25/10/83/421251083.db2.gz GPTYNJWWYGINTN-UHFFFAOYSA-N 0 2 306.347 1.584 20 30 DDEDLN N#Cc1ccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)nc1 ZINC000534436888 421691573 /nfs/dbraw/zinc/69/15/73/421691573.db2.gz QUFIKXVSBKZCSX-UHFFFAOYSA-N 0 2 308.326 1.541 20 30 DDEDLN CN1CCc2ccc(S(=O)(=O)Nc3ncc(C#N)s3)cc21 ZINC000610725184 422470779 /nfs/dbraw/zinc/47/07/79/422470779.db2.gz LEMRMRIPKYBDEU-UHFFFAOYSA-N 0 2 320.399 1.808 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccncc1[N+](=O)[O-] ZINC000347363552 267309388 /nfs/dbraw/zinc/30/93/88/267309388.db2.gz WVYKXZUAASVLCF-UHFFFAOYSA-N 0 2 318.314 1.393 20 30 DDEDLN N#Cc1ccc(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1[N+](=O)[O-] ZINC000357541978 268112755 /nfs/dbraw/zinc/11/27/55/268112755.db2.gz ZBUUPKAHYMGXIR-SNVBAGLBSA-N 0 2 314.305 1.674 20 30 DDEDLN N#Cc1ccnc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1 ZINC000355305195 268288462 /nfs/dbraw/zinc/28/84/62/268288462.db2.gz HHTKHFIIMXXDMZ-UHFFFAOYSA-N 0 2 308.326 1.541 20 30 DDEDLN COC(=O)[C@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C(C)C ZINC000344639063 272076762 /nfs/dbraw/zinc/07/67/62/272076762.db2.gz BGPJGRVZWCVOPR-SNVBAGLBSA-N 0 2 323.374 1.308 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2c3c(nn2C)CCC3)cc1C#N ZINC000569299779 308139451 /nfs/dbraw/zinc/13/94/51/308139451.db2.gz ITQNUPRFEVNEHA-UHFFFAOYSA-N 0 2 317.374 1.285 20 30 DDEDLN CO[C@@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000528968900 340741233 /nfs/dbraw/zinc/74/12/33/340741233.db2.gz PBDRMIPXXLPDHN-IUODEOHRSA-N 0 2 315.304 1.838 20 30 DDEDLN C[C@H](C#N)CNC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000547535652 341221186 /nfs/dbraw/zinc/22/11/86/341221186.db2.gz RIKGHXBZTXSEJQ-MRVPVSSYSA-N 0 2 305.363 1.698 20 30 DDEDLN Cc1nnc(-c2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2)o1 ZINC000160708042 484066334 /nfs/dbraw/zinc/06/63/34/484066334.db2.gz KKCCTNFBWAUZPJ-UHFFFAOYSA-N 0 2 319.284 1.764 20 30 DDEDLN C#CC[N@@H+](CC)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000825614074 601010084 /nfs/dbraw/zinc/01/00/84/601010084.db2.gz CWZOOAWKWFTJCW-UHFFFAOYSA-N 0 2 318.329 1.065 20 30 DDEDLN C#CC[N@H+](CC)CC(=O)Nc1cc(C(=O)[O-])cc(C(=O)OC)c1 ZINC000825614074 601010086 /nfs/dbraw/zinc/01/00/86/601010086.db2.gz CWZOOAWKWFTJCW-UHFFFAOYSA-N 0 2 318.329 1.065 20 30 DDEDLN C[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940928 601353873 /nfs/dbraw/zinc/35/38/73/601353873.db2.gz MZBVSMMXYBXNFE-ZIAGYGMSSA-N 0 2 302.330 1.711 20 30 DDEDLN C[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830940928 601353875 /nfs/dbraw/zinc/35/38/75/601353875.db2.gz MZBVSMMXYBXNFE-ZIAGYGMSSA-N 0 2 302.330 1.711 20 30 DDEDLN C=CCc1cc(C[N@@H+]2CCO[C@H](C(=O)[O-])C2)cc(OC)c1O ZINC000819720206 604629446 /nfs/dbraw/zinc/62/94/46/604629446.db2.gz NAHQWZXJQSHYCJ-AWEZNQCLSA-N 0 2 307.346 1.415 20 30 DDEDLN C=CCc1cc(C[N@H+]2CCO[C@H](C(=O)[O-])C2)cc(OC)c1O ZINC000819720206 604629447 /nfs/dbraw/zinc/62/94/47/604629447.db2.gz NAHQWZXJQSHYCJ-AWEZNQCLSA-N 0 2 307.346 1.415 20 30 DDEDLN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000833830105 605893093 /nfs/dbraw/zinc/89/30/93/605893093.db2.gz JSINXQSZHPEPOV-ZJUUUORDSA-N 0 2 322.390 1.536 20 30 DDEDLN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000833830105 605893094 /nfs/dbraw/zinc/89/30/94/605893094.db2.gz JSINXQSZHPEPOV-ZJUUUORDSA-N 0 2 322.390 1.536 20 30 DDEDLN C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC000981720287 696889796 /nfs/dbraw/zinc/88/97/96/696889796.db2.gz SUMYWEZEPQKXQV-UHFFFAOYSA-N 0 2 324.812 1.714 20 30 DDEDLN C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC000981720287 696889798 /nfs/dbraw/zinc/88/97/98/696889798.db2.gz SUMYWEZEPQKXQV-UHFFFAOYSA-N 0 2 324.812 1.714 20 30 DDEDLN C[C@H](N1CCN(C(=O)C(F)C(F)(F)F)CC1)C(F)(F)F ZINC000764615149 700978757 /nfs/dbraw/zinc/97/87/57/700978757.db2.gz XRUQOHZPPNZOCT-BQBZGAKWSA-N 0 2 310.213 1.982 20 30 DDEDLN C[C@H](N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1)C(F)(F)F ZINC000764615149 700978758 /nfs/dbraw/zinc/97/87/58/700978758.db2.gz XRUQOHZPPNZOCT-BQBZGAKWSA-N 0 2 310.213 1.982 20 30 DDEDLN C#CCn1cc(CNC(=O)C2=NN(c3ccccc3)CC2=O)cn1 ZINC000774178477 697851761 /nfs/dbraw/zinc/85/17/61/697851761.db2.gz BWNVHVVULPZEJQ-UHFFFAOYSA-N 0 2 321.340 1.338 20 30 DDEDLN N#Cc1ccc(N2CCC[C@H]2C(=O)OCc2n[nH]c(=O)[nH]2)cc1 ZINC000774943510 697945332 /nfs/dbraw/zinc/94/53/32/697945332.db2.gz KMTRUDKFKPZPKA-LBPRGKRZSA-N 0 2 313.317 1.094 20 30 DDEDLN N#CC(C(=O)COC[C@H]1CCCO1)c1nnc2n1CCCCC2 ZINC000733681496 699611189 /nfs/dbraw/zinc/61/11/89/699611189.db2.gz VQYCZZWKLJDDJF-OLZOCXBDSA-N 0 2 318.377 1.376 20 30 DDEDLN N#CC(C(=O)CNC(=O)CC1CCCCC1)c1ccncn1 ZINC000760336349 700802847 /nfs/dbraw/zinc/80/28/47/700802847.db2.gz YNBPLBPFJIUNSV-ZDUSSCGKSA-N 0 2 300.362 1.739 20 30 DDEDLN N#C[C@H](C(=O)CNC(=O)CC1CCCCC1)c1ccncn1 ZINC000760336349 700802850 /nfs/dbraw/zinc/80/28/50/700802850.db2.gz YNBPLBPFJIUNSV-ZDUSSCGKSA-N 0 2 300.362 1.739 20 30 DDEDLN C[C@@H]1CC(=NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)NO1 ZINC000763260575 700932276 /nfs/dbraw/zinc/93/22/76/700932276.db2.gz ODUBHZQAWFNJIZ-ZCFIWIBFSA-N 0 2 304.331 1.476 20 30 DDEDLN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@@H]1SC(=N)NC1=O ZINC000804457233 701191475 /nfs/dbraw/zinc/19/14/75/701191475.db2.gz QPKNCYRXJRRHMZ-OLZOCXBDSA-N 0 2 315.398 1.294 20 30 DDEDLN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(F)C(F)(F)F ZINC000810663107 701813949 /nfs/dbraw/zinc/81/39/49/701813949.db2.gz NDWIMVMLWLASCS-RITPCOANSA-N 0 2 324.196 1.556 20 30 DDEDLN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)[C@H](F)C(F)(F)F ZINC000810663107 701813954 /nfs/dbraw/zinc/81/39/54/701813954.db2.gz NDWIMVMLWLASCS-RITPCOANSA-N 0 2 324.196 1.556 20 30 DDEDLN Cc1nsc(N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1C#N ZINC000866284816 706664621 /nfs/dbraw/zinc/66/46/21/706664621.db2.gz SUURWPHEPPJDEM-NSHDSACASA-N 0 2 318.324 1.971 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@@H]1Cc2ccccc2O1 ZINC000870242399 703971021 /nfs/dbraw/zinc/97/10/21/703971021.db2.gz BTLYCWUBWSQFLF-STQMWFEESA-N 0 2 309.325 1.705 20 30 DDEDLN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H]1SC(=N)NC1=O ZINC000819736702 704166510 /nfs/dbraw/zinc/16/65/10/704166510.db2.gz NLAAACXBUJPGOF-JOYOIKCWSA-N 0 2 316.386 1.634 20 30 DDEDLN COc1c(C)cnc(Cn2cnc(-c3nn[nH]n3)c2C#N)c1C ZINC000826167059 705780428 /nfs/dbraw/zinc/78/04/28/705780428.db2.gz NPBUPLUWGPDAKZ-UHFFFAOYSA-N 0 2 310.321 1.004 20 30 DDEDLN CN(Cc1cc(C#N)cs1)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000887972505 709183267 /nfs/dbraw/zinc/18/32/67/709183267.db2.gz YNBZDHWDWOEFHS-VIFPVBQESA-N 0 2 308.388 1.135 20 30 DDEDLN C#CCN(C(=O)C1=NN(c2ccccc2)CC1=O)C1CSC1 ZINC000912363148 711292606 /nfs/dbraw/zinc/29/26/06/711292606.db2.gz XXNGHRGOELSYBJ-UHFFFAOYSA-N 0 2 313.382 1.769 20 30 DDEDLN CC[C@@]1(C)NC(=O)N(N=Cc2cc([N+](=O)[O-])ccc2O)C1=O ZINC000916329272 713451150 /nfs/dbraw/zinc/45/11/50/713451150.db2.gz BTFZIPZSOBOYNR-CYBMUJFWSA-N 0 2 306.278 1.355 20 30 DDEDLN C#CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001027885255 738772982 /nfs/dbraw/zinc/77/29/82/738772982.db2.gz CDMJZWIXUMBJFH-GJZGRUSLSA-N 0 2 300.406 1.434 20 30 DDEDLN CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC001024618009 735985223 /nfs/dbraw/zinc/98/52/23/735985223.db2.gz OTYKHSVHRFEBNX-IRXDYDNUSA-N 0 2 321.465 1.090 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227856 736378298 /nfs/dbraw/zinc/37/82/98/736378298.db2.gz SWQYAPODEBYGBE-HOTGVXAUSA-N 0 2 314.433 1.821 20 30 DDEDLN C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001027459814 738311998 /nfs/dbraw/zinc/31/19/98/738311998.db2.gz CBVRZGRDWKBIAU-OAHLLOKOSA-N 0 2 302.422 1.483 20 30 DDEDLN C[C@@H](CCNc1ccncc1C#N)NC(=O)C(F)C(F)(F)F ZINC001106604405 745827690 /nfs/dbraw/zinc/82/76/90/745827690.db2.gz YYLMRGQRKIVZDJ-KWQFWETISA-N 0 2 318.274 1.582 20 30 DDEDLN C[C@@H](CCNc1ccncc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001106604405 745827694 /nfs/dbraw/zinc/82/76/94/745827694.db2.gz YYLMRGQRKIVZDJ-KWQFWETISA-N 0 2 318.274 1.582 20 30 DDEDLN CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994267493 746554076 /nfs/dbraw/zinc/55/40/76/746554076.db2.gz KFCDGSDODPKLAO-GOEBONIOSA-N 0 2 314.433 1.754 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC001196880134 746987458 /nfs/dbraw/zinc/98/74/58/746987458.db2.gz HPVFSUBWEXGCCN-GFCCVEGCSA-N 0 2 307.398 1.147 20 30 DDEDLN COc1cccc(CS(=O)(=O)Nc2ncn(C)c2C#N)c1 ZINC001197354783 747135426 /nfs/dbraw/zinc/13/54/26/747135426.db2.gz DGOFWBMDSDRXBW-UHFFFAOYSA-N 0 2 306.347 1.242 20 30 DDEDLN Cc1ccc(S(=O)(=O)Nc2ccnn2C2COC2)cc1C#N ZINC001201294936 748467514 /nfs/dbraw/zinc/46/75/14/748467514.db2.gz JBPNJVSYIBWXBD-UHFFFAOYSA-N 0 2 318.358 1.435 20 30 DDEDLN CCN(C(=O)C#CC(C)C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001079732651 755553418 /nfs/dbraw/zinc/55/34/18/755553418.db2.gz JAZDJSHLXMHUJQ-LBPRGKRZSA-N 0 2 322.302 1.606 20 30 DDEDLN CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001079732651 755553420 /nfs/dbraw/zinc/55/34/20/755553420.db2.gz JAZDJSHLXMHUJQ-LBPRGKRZSA-N 0 2 322.302 1.606 20 30 DDEDLN N#CCN1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131338 761767844 /nfs/dbraw/zinc/76/78/44/761767844.db2.gz JVOQDDLYDKOKNZ-NWDGAFQWSA-N 0 2 321.318 1.971 20 30 DDEDLN C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001109657530 763918983 /nfs/dbraw/zinc/91/89/83/763918983.db2.gz SUPWEEMOGAPGIB-WOPDTQHZSA-N 0 2 305.382 1.088 20 30 DDEDLN C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001109657530 763918985 /nfs/dbraw/zinc/91/89/85/763918985.db2.gz SUPWEEMOGAPGIB-WOPDTQHZSA-N 0 2 305.382 1.088 20 30 DDEDLN CN(CCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)nc1 ZINC001100366846 776058312 /nfs/dbraw/zinc/05/83/12/776058312.db2.gz KFNNVGHMXCSXOK-JTQLQIEISA-N 0 2 304.247 1.406 20 30 DDEDLN CN(CCNC(=O)[C@H](F)C(F)(F)F)c1ccc(C#N)nc1 ZINC001100366846 776058329 /nfs/dbraw/zinc/05/83/29/776058329.db2.gz KFNNVGHMXCSXOK-JTQLQIEISA-N 0 2 304.247 1.406 20 30 DDEDLN C[C@H](C#N)C(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001179893624 779519956 /nfs/dbraw/zinc/51/99/56/779519956.db2.gz CWKMKASDQNECBL-SSDOTTSWSA-N 0 2 310.273 1.071 20 30 DDEDLN C=CCNc1ncc(C(=O)N[C@H](C)c2nn(C)cc2O)s1 ZINC001179926447 779541348 /nfs/dbraw/zinc/54/13/48/779541348.db2.gz FQBXTLOSCSILOI-MRVPVSSYSA-N 0 2 307.379 1.671 20 30 DDEDLN Cc1cccc(C)c1OCCNc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001336477564 868964463 /nfs/dbraw/zinc/96/44/63/868964463.db2.gz BQHLVTILMJXJBV-UHFFFAOYSA-N 0 2 314.345 1.053 20 30 DDEDLN Cc1cc(=O)[nH]c(OC2CCN(c3ncccn3)CC2)c1C#N ZINC001226222180 882288099 /nfs/dbraw/zinc/28/80/99/882288099.db2.gz UUMSOZXEBRGLKU-UHFFFAOYSA-N 0 2 311.345 1.805 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2cc(-c3cccs3)on2)c1=O ZINC001166382521 869976740 /nfs/dbraw/zinc/97/67/40/869976740.db2.gz DRDSCHKPRWJAAC-UHFFFAOYSA-N 0 2 300.299 1.173 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N(C)C[C@H](C)C#N ZINC001351545096 876315341 /nfs/dbraw/zinc/31/53/41/876315341.db2.gz TVNVTMNZBVYDFI-LLVKDONJSA-N 0 2 315.381 1.649 20 30 DDEDLN COc1ccc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)cc1CO ZINC001362473676 883893015 /nfs/dbraw/zinc/89/30/15/883893015.db2.gz TVCMOZGODXSINH-UHFFFAOYSA-N 0 2 313.313 1.721 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@H]1CC2CCC1CC2 ZINC001363744837 887125072 /nfs/dbraw/zinc/12/50/72/887125072.db2.gz OYDSYXHEYOVTJU-HBIQZDMRSA-N 0 2 302.378 1.572 20 30 DDEDLN O=C(CC(F)(F)F)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001385555994 889314834 /nfs/dbraw/zinc/31/48/34/889314834.db2.gz HTQUJZMZFHVRMT-CAHLUQPWSA-N 0 2 324.196 1.556 20 30 DDEDLN O=C(CC(F)(F)F)N[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001385555994 889314847 /nfs/dbraw/zinc/31/48/47/889314847.db2.gz HTQUJZMZFHVRMT-CAHLUQPWSA-N 0 2 324.196 1.556 20 30 DDEDLN CC[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@@H](C)O1 ZINC001365269912 890472764 /nfs/dbraw/zinc/47/27/64/890472764.db2.gz IOPWOGGMCMHMHC-MFKMUULPSA-N 0 2 301.350 1.306 20 30 DDEDLN CC[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@@H](C)O1 ZINC001365269912 890472774 /nfs/dbraw/zinc/47/27/74/890472774.db2.gz IOPWOGGMCMHMHC-MFKMUULPSA-N 0 2 301.350 1.306 20 30 DDEDLN CC(=O)Nc1cccc(S(=O)(=O)Nc2cnc(C#N)nc2)c1 ZINC001260803545 899271035 /nfs/dbraw/zinc/27/10/35/899271035.db2.gz NSOOMDWFJXDHQM-UHFFFAOYSA-N 0 2 317.330 1.107 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2)CCC1=O ZINC001260831548 899281674 /nfs/dbraw/zinc/28/16/74/899281674.db2.gz PIGDXFDZUVYDPY-NSHDSACASA-N 0 2 312.778 1.584 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001284094471 908467317 /nfs/dbraw/zinc/46/73/17/908467317.db2.gz MFPCMCQEINSHQA-HRDYMLBCSA-N 0 2 310.291 1.862 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001284094471 908467329 /nfs/dbraw/zinc/46/73/29/908467329.db2.gz MFPCMCQEINSHQA-HRDYMLBCSA-N 0 2 310.291 1.862 20 30 DDEDLN CC(C)C#CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001295350217 915733465 /nfs/dbraw/zinc/73/34/65/915733465.db2.gz ZYRSWMUUCWSXTF-LLHIFLOGSA-N 0 2 320.286 1.119 20 30 DDEDLN CC(C)C#CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](F)C(F)(F)F ZINC001295350217 915733481 /nfs/dbraw/zinc/73/34/81/915733481.db2.gz ZYRSWMUUCWSXTF-LLHIFLOGSA-N 0 2 320.286 1.119 20 30 DDEDLN CN(CC(C)(C)C#N)C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000452145989 529842973 /nfs/dbraw/zinc/84/29/73/529842973.db2.gz KAGMLPGJPFYWQJ-UHFFFAOYSA-N 0 2 300.318 1.652 20 30 DDEDLN C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000615870148 362473296 /nfs/dbraw/zinc/47/32/96/362473296.db2.gz CWFGRHPELKRAIX-OLZOCXBDSA-N 0 2 315.329 1.493 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(N3CCOCC3)cc2)[nH]c1C#N ZINC000064032373 352929488 /nfs/dbraw/zinc/92/94/88/352929488.db2.gz YUHMEUZUBQLCDP-UHFFFAOYSA-N 0 2 322.328 1.242 20 30 DDEDLN CSCCCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000128156099 354071753 /nfs/dbraw/zinc/07/17/53/354071753.db2.gz KQTAESUASOOJBJ-UHFFFAOYSA-N 0 2 311.432 1.841 20 30 DDEDLN COc1ccc(-c2nc(S(=O)(=O)CCCCC#N)n[nH]2)cc1 ZINC000195120182 354294827 /nfs/dbraw/zinc/29/48/27/354294827.db2.gz VDBXMLDFUFKJSC-UHFFFAOYSA-N 0 2 320.374 1.948 20 30 DDEDLN N#C[C@@]1(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC12CCCC2 ZINC000579009655 354714976 /nfs/dbraw/zinc/71/49/76/354714976.db2.gz DSVGYGRQVDRYHT-MEDUHNTESA-N 0 2 315.377 1.690 20 30 DDEDLN Cc1oc(C#N)cc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000592797165 355695713 /nfs/dbraw/zinc/69/57/13/355695713.db2.gz VSNPBRBTSKPQMV-VIFPVBQESA-N 0 2 301.306 1.303 20 30 DDEDLN CSc1[n-]c(=O)c(C(=O)N[C@H](C)c2[nH+]ccn2C)cc1C#N ZINC000598459666 357591183 /nfs/dbraw/zinc/59/11/83/357591183.db2.gz KPUKWHVPGVPUCS-MRVPVSSYSA-N 0 2 317.374 1.605 20 30 DDEDLN N#Cc1nc(NC(=O)CCCn2cnc3ccccc32)[nH]c1C#N ZINC000603873357 359690718 /nfs/dbraw/zinc/69/07/18/359690718.db2.gz WVYXVARHYFLYAN-UHFFFAOYSA-N 0 2 319.328 1.922 20 30 DDEDLN N#Cc1nc(NC(=O)Cc2ccc3c(c2)CCCO3)[nH]c1C#N ZINC000567975173 304257318 /nfs/dbraw/zinc/25/73/18/304257318.db2.gz PDYJLZPXNWXUBL-UHFFFAOYSA-N 0 2 307.313 1.659 20 30 DDEDLN C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)n1cnc2ccccc21 ZINC000030647968 406933192 /nfs/dbraw/zinc/93/31/92/406933192.db2.gz SFOHSNDXIZHICK-VIFPVBQESA-N 0 2 305.301 1.702 20 30 DDEDLN COc1ccc(C[C@H](C)C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000089485612 407137048 /nfs/dbraw/zinc/13/70/48/407137048.db2.gz AXHRQBYUFNFXID-JTQLQIEISA-N 0 2 309.329 1.979 20 30 DDEDLN C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@H](C)[NH+]1CCOCC1 ZINC000105356548 407353485 /nfs/dbraw/zinc/35/34/85/407353485.db2.gz FNIDQFUWRROXAU-ATARQRRYSA-N 0 2 307.350 1.829 20 30 DDEDLN CC[C@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)[C@H]1CCCO1 ZINC000152536212 407651564 /nfs/dbraw/zinc/65/15/64/407651564.db2.gz DJMIACJUCMMXTL-NWDGAFQWSA-N 0 2 321.402 1.656 20 30 DDEDLN C[C@H](C1CC1)n1cc(NS(=O)(=O)c2ccc(C#N)nc2)cn1 ZINC000187735792 407888620 /nfs/dbraw/zinc/88/86/20/407888620.db2.gz DTHUTEOXFSVKDE-SNVBAGLBSA-N 0 2 317.374 1.922 20 30 DDEDLN Cc1nc(NS(=O)(=O)c2ccc(C#N)nc2)ccc1[N+](=O)[O-] ZINC000165249268 162158647 /nfs/dbraw/zinc/15/86/47/162158647.db2.gz SRVPQZDYUHBXSQ-UHFFFAOYSA-N 0 2 319.302 1.366 20 30 DDEDLN CCOC(=O)N1CC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000184534106 408638145 /nfs/dbraw/zinc/63/81/45/408638145.db2.gz MQXNJBXHIGWEQM-UXYFDLPDSA-N 0 2 307.306 1.950 20 30 DDEDLN C=CCC(C)(C)C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000292458799 409029825 /nfs/dbraw/zinc/02/98/25/409029825.db2.gz JNLPTPZLTYZNCF-UHFFFAOYSA-N 0 2 304.397 1.450 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](O)C2(C)C)cc1C#N ZINC000408240664 164272681 /nfs/dbraw/zinc/27/26/81/164272681.db2.gz OPRQBTUKEQDWJN-JTQLQIEISA-N 0 2 307.375 1.366 20 30 DDEDLN CC(C)(C)n1cnc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000342489108 409671214 /nfs/dbraw/zinc/67/12/14/409671214.db2.gz IWPRRVXIHFYWJH-UHFFFAOYSA-N 0 2 305.363 1.706 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC2(O)CCCCC2)cc1C#N ZINC000349750607 409909337 /nfs/dbraw/zinc/90/93/37/409909337.db2.gz WVFAFFQLGBRSRH-UHFFFAOYSA-N 0 2 321.402 1.806 20 30 DDEDLN N#C[C@@H](C(=O)c1cc2n(n1)CCO2)c1cnc2ccccc2n1 ZINC000355403449 410496299 /nfs/dbraw/zinc/49/62/99/410496299.db2.gz JVIANNGBZHXDLV-SNVBAGLBSA-N 0 2 305.297 1.709 20 30 DDEDLN N#CC(C(=O)c1cc2n(n1)CCO2)c1cnc2ccccc2n1 ZINC000355403449 410496309 /nfs/dbraw/zinc/49/63/09/410496309.db2.gz JVIANNGBZHXDLV-SNVBAGLBSA-N 0 2 305.297 1.709 20 30 DDEDLN COC(=O)[C@H]1CCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000341859739 411072720 /nfs/dbraw/zinc/07/27/20/411072720.db2.gz QDYIWYXWGNUGTJ-QMMMGPOBSA-N 0 2 321.358 1.016 20 30 DDEDLN Cc1cc(OCCn2c(=O)[nH]cc(C#N)c2=O)ccc1C(C)C ZINC000580713634 422949583 /nfs/dbraw/zinc/94/95/83/422949583.db2.gz BGWPEVJSQDTRNT-UHFFFAOYSA-N 0 2 313.357 1.919 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(N(C)C)cn1 ZINC000077966379 418492143 /nfs/dbraw/zinc/49/21/43/418492143.db2.gz TXLYSBWYSOONGV-UHFFFAOYSA-N 0 2 316.386 2.129 20 30 DDEDLN C=CCN(CCOC)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000361068027 418575978 /nfs/dbraw/zinc/57/59/78/418575978.db2.gz JSFVRJBNURBLKO-UHFFFAOYSA-N 0 2 307.375 1.655 20 30 DDEDLN CC[C@@H](C)/N=C1/NC(=O)[C@H](CC(=O)NCC(F)(F)F)S1 ZINC000195215671 222193837 /nfs/dbraw/zinc/19/38/37/222193837.db2.gz GTXNTJBOYGSCIC-RQJHMYQMSA-N 0 2 311.329 1.441 20 30 DDEDLN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000227867084 222206045 /nfs/dbraw/zinc/20/60/45/222206045.db2.gz FOFKPTJEHSTLAM-UHFFFAOYSA-N 0 2 310.766 1.940 20 30 DDEDLN C=C(C)[C@H]1OCC[C@@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000362515342 418755118 /nfs/dbraw/zinc/75/51/18/418755118.db2.gz GEQTXCWJCPBRHG-QWHCGFSZSA-N 0 2 315.329 1.950 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cnn(C(F)F)c2)cc1C#N ZINC000427324298 419638898 /nfs/dbraw/zinc/63/88/98/419638898.db2.gz LDUFWYYXZOVHIV-UHFFFAOYSA-N 0 2 313.289 1.654 20 30 DDEDLN Cc1cc(NC(=O)c2cc(F)c(O)c(F)c2)nn1CCC#N ZINC000436965475 420386418 /nfs/dbraw/zinc/38/64/18/420386418.db2.gz JTGMVQCCMCLOMW-UHFFFAOYSA-N 0 2 306.272 2.341 20 30 DDEDLN N#Cc1cnc(NCc2nnc(COc3ccccc3)[nH]2)cn1 ZINC000302361670 230223908 /nfs/dbraw/zinc/22/39/08/230223908.db2.gz FOJBLTUFUYGPRP-UHFFFAOYSA-N 0 2 307.317 1.657 20 30 DDEDLN N#Cc1ccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1O ZINC000442671486 420698834 /nfs/dbraw/zinc/69/88/34/420698834.db2.gz MGCNQJFDQWQREF-UHFFFAOYSA-N 0 2 323.337 1.852 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC(=O)OC(C)(C)C)cc1C#N ZINC000360410002 269814741 /nfs/dbraw/zinc/81/47/41/269814741.db2.gz CIYVHTDBAPPDIX-UHFFFAOYSA-N 0 2 323.374 1.452 20 30 DDEDLN Cc1cn(-c2ccccc2)nc1C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000184462771 302315903 /nfs/dbraw/zinc/31/59/03/302315903.db2.gz SBXKDROTXBXXMW-UHFFFAOYSA-N 0 2 317.312 1.899 20 30 DDEDLN N#CC1(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)CCOCC1 ZINC000332391057 303141480 /nfs/dbraw/zinc/14/14/80/303141480.db2.gz CUWLHDPBDKEITI-UHFFFAOYSA-N 0 2 313.317 1.436 20 30 DDEDLN Cn1nc2c(c1NS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000536421504 303360266 /nfs/dbraw/zinc/36/02/66/303360266.db2.gz UBUBRRJADOJPSO-UHFFFAOYSA-N 0 2 302.359 1.581 20 30 DDEDLN CCOC(C)(C)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000444515463 528427477 /nfs/dbraw/zinc/42/74/77/528427477.db2.gz NIVPLYLTGJIQIZ-UHFFFAOYSA-N 0 2 309.391 1.926 20 30 DDEDLN N#C[C@H](NC(=O)C[NH+]1CCC(NC(=O)[O-])CC1)C1CCCCC1 ZINC000831070205 605765845 /nfs/dbraw/zinc/76/58/45/605765845.db2.gz GOFQQSVCJFBJRF-AWEZNQCLSA-N 0 2 322.409 1.307 20 30 DDEDLN COc1cccc(OCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c1 ZINC000122794469 696725010 /nfs/dbraw/zinc/72/50/10/696725010.db2.gz LQUATLHRJGSMDT-CYBMUJFWSA-N 0 2 313.313 1.399 20 30 DDEDLN N#Cc1ccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)s1 ZINC000749524748 700168553 /nfs/dbraw/zinc/16/85/53/700168553.db2.gz ZAKQXYMDXGGVGG-UHFFFAOYSA-N 0 2 318.358 1.519 20 30 DDEDLN Cn1c2ccccc2nc1[C@H](C#N)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000194085716 697690730 /nfs/dbraw/zinc/69/07/30/697690730.db2.gz VOCZQNDLKXYJIO-LLVKDONJSA-N 0 2 324.300 1.554 20 30 DDEDLN C[C@H]1CC(=NC(=O)c2ccc3c(c2)[nH]c(=S)[nH]c3=O)NO1 ZINC000763260571 700932323 /nfs/dbraw/zinc/93/23/23/700932323.db2.gz ODUBHZQAWFNJIZ-LURJTMIESA-N 0 2 304.331 1.476 20 30 DDEDLN O=C(NCc1cnn(CC(F)(F)F)c1)C(F)C(F)(F)F ZINC000810572041 701792117 /nfs/dbraw/zinc/79/21/17/701792117.db2.gz ZUVYWKQDJQKSJE-LURJTMIESA-N 0 2 307.169 1.962 20 30 DDEDLN O=C(NCc1cnn(CC(F)(F)F)c1)[C@H](F)C(F)(F)F ZINC000810572041 701792118 /nfs/dbraw/zinc/79/21/18/701792118.db2.gz ZUVYWKQDJQKSJE-LURJTMIESA-N 0 2 307.169 1.962 20 30 DDEDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCC1(C#N)CCC1 ZINC000816023153 701994011 /nfs/dbraw/zinc/99/40/11/701994011.db2.gz SJDZCZPJDDJJGM-VIFPVBQESA-N 0 2 306.284 1.927 20 30 DDEDLN N#CC(C(=O)NCc1ccccc1)=C([O-])c1[nH+]cc2n1CCCC2 ZINC000870135670 703924247 /nfs/dbraw/zinc/92/42/47/703924247.db2.gz BNJSENRKILWXBU-OAHLLOKOSA-N 0 2 322.368 1.858 20 30 DDEDLN N#Cc1ccc(C2(C(=O)NOCCN3CCCC3=O)CC2)cc1 ZINC000856042713 704511468 /nfs/dbraw/zinc/51/14/68/704511468.db2.gz LPOIXJWBZIGSMX-UHFFFAOYSA-N 0 2 313.357 1.260 20 30 DDEDLN C#CCOc1ccc(NS(=O)(=O)c2cn(C)nc2CC)cc1 ZINC000882696377 707751126 /nfs/dbraw/zinc/75/11/26/707751126.db2.gz VPGIDFFVISMZPP-UHFFFAOYSA-N 0 2 319.386 1.795 20 30 DDEDLN O=C1C[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)CN1CC1CC1 ZINC000887271062 709003362 /nfs/dbraw/zinc/00/33/62/709003362.db2.gz ZDQPFQAKBIMENW-QFULYMJESA-N 0 2 303.318 1.730 20 30 DDEDLN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCO[C@](C)(C#N)C1)c2=O ZINC000900741736 709738115 /nfs/dbraw/zinc/73/81/15/709738115.db2.gz WGRNZHQHPQWIHJ-MRXNPFEDSA-N 0 2 312.329 1.399 20 30 DDEDLN C=CCOC[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)C(=O)[O-] ZINC000901809023 710152765 /nfs/dbraw/zinc/15/27/65/710152765.db2.gz NSEWYZAGLXGJGJ-GFCCVEGCSA-N 0 2 323.780 1.972 20 30 DDEDLN C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001027979760 738901196 /nfs/dbraw/zinc/90/11/96/738901196.db2.gz ABXOOSRZXWZUSU-GJZGRUSLSA-N 0 2 302.422 1.602 20 30 DDEDLN N#Cc1cncc(N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)n1 ZINC001059097647 739933796 /nfs/dbraw/zinc/93/37/96/739933796.db2.gz KTAYXEBWWWRIEX-OIBJUYFYSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1cncc(N[C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)n1 ZINC001059097647 739933803 /nfs/dbraw/zinc/93/38/03/739933803.db2.gz KTAYXEBWWWRIEX-OIBJUYFYSA-N 0 2 317.246 1.261 20 30 DDEDLN CC(C)C#CC(=O)NCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001076413608 742718410 /nfs/dbraw/zinc/71/84/10/742718410.db2.gz GSBLWDQCSWCCPM-ONGXEEELSA-N 0 2 310.291 1.557 20 30 DDEDLN CC(C)C#CC(=O)NCC[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001076413608 742718411 /nfs/dbraw/zinc/71/84/11/742718411.db2.gz GSBLWDQCSWCCPM-ONGXEEELSA-N 0 2 310.291 1.557 20 30 DDEDLN C=CCOCC(=O)N[C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001076857668 743054705 /nfs/dbraw/zinc/05/47/05/743054705.db2.gz VWYMCVFKJLTGIL-WCBMZHEXSA-N 0 2 314.279 1.100 20 30 DDEDLN C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@@H](F)C(F)(F)F ZINC001076857668 743054713 /nfs/dbraw/zinc/05/47/13/743054713.db2.gz VWYMCVFKJLTGIL-WCBMZHEXSA-N 0 2 314.279 1.100 20 30 DDEDLN COc1cc(NS(=O)(=O)c2cnc(Cl)nc2)ccc1C#N ZINC001185047545 744150585 /nfs/dbraw/zinc/15/05/85/744150585.db2.gz IVUHJWPCHVEBKW-UHFFFAOYSA-N 0 2 324.749 1.811 20 30 DDEDLN CC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1nc2ccccc2[nH]1 ZINC001185222787 744182982 /nfs/dbraw/zinc/18/29/82/744182982.db2.gz UCIZFLAYRVGADX-JTQLQIEISA-N 0 2 324.344 1.385 20 30 DDEDLN COc1ccc(C(=NC(=O)c2ccc(O)c(F)c2)NO)nc1 ZINC001186234294 744361264 /nfs/dbraw/zinc/36/12/64/744361264.db2.gz VEMOGXJCSUSPKW-UHFFFAOYSA-N 0 2 305.265 1.501 20 30 DDEDLN CCOC(=O)c1cnn2cccc(NS(=O)(=O)[C@H](C)C#N)c12 ZINC001193106525 745980489 /nfs/dbraw/zinc/98/04/89/745980489.db2.gz GWSKGZFTYKKGCA-SECBINFHSA-N 0 2 322.346 1.165 20 30 DDEDLN C#CC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994270235 746555926 /nfs/dbraw/zinc/55/59/26/746555926.db2.gz QMLJCZWUWAXYJI-DZGCQCFKSA-N 0 2 300.406 1.364 20 30 DDEDLN CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001080419919 755908576 /nfs/dbraw/zinc/90/85/76/755908576.db2.gz JXSCLGFJOLTBOY-APPZFPTMSA-N 0 2 309.263 1.106 20 30 DDEDLN CCN(C(=O)[C@H](C)C#N)C1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001080419919 755908579 /nfs/dbraw/zinc/90/85/79/755908579.db2.gz JXSCLGFJOLTBOY-APPZFPTMSA-N 0 2 309.263 1.106 20 30 DDEDLN C[C@H]1CC[C@@H](NC(=O)C#CC(C)(C)C)CN1Cc1n[nH]c(=O)[nH]1 ZINC001132033131 768578033 /nfs/dbraw/zinc/57/80/33/768578033.db2.gz AVRCVFVNQZQCMW-NWDGAFQWSA-N 0 2 319.409 1.029 20 30 DDEDLN CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132234885 768688488 /nfs/dbraw/zinc/68/84/88/768688488.db2.gz GTWFTYWVHQBASY-QWHCGFSZSA-N 0 2 319.409 1.173 20 30 DDEDLN CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132234885 768688489 /nfs/dbraw/zinc/68/84/89/768688489.db2.gz GTWFTYWVHQBASY-QWHCGFSZSA-N 0 2 319.409 1.173 20 30 DDEDLN Cc1ncc(CO)c(C(=O)Nc2c(C#N)ccc(F)c2F)c1O ZINC001147842744 773266188 /nfs/dbraw/zinc/26/61/88/773266188.db2.gz LALIVKPFGGFVGQ-UHFFFAOYSA-N 0 2 319.267 1.990 20 30 DDEDLN CN(CCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)cn1 ZINC001100367139 776061371 /nfs/dbraw/zinc/06/13/71/776061371.db2.gz TUAQCZVPHSRBHG-SNVBAGLBSA-N 0 2 304.247 1.406 20 30 DDEDLN CN(CCNC(=O)[C@@H](F)C(F)(F)F)c1ccc(C#N)cn1 ZINC001100367139 776061379 /nfs/dbraw/zinc/06/13/79/776061379.db2.gz TUAQCZVPHSRBHG-SNVBAGLBSA-N 0 2 304.247 1.406 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1ccnc(C#N)n1 ZINC001100747811 776495175 /nfs/dbraw/zinc/49/51/75/776495175.db2.gz DVZPJQZCTYWWKJ-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN CCN(CCNC(=O)[C@H](F)C(F)(F)F)c1ccnc(C#N)n1 ZINC001100747811 776495185 /nfs/dbraw/zinc/49/51/85/776495185.db2.gz DVZPJQZCTYWWKJ-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN C=CCOCC[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001268114459 839706174 /nfs/dbraw/zinc/70/61/74/839706174.db2.gz QSYIOWMPCVOPEA-OAHLLOKOSA-N 0 2 320.437 1.136 20 30 DDEDLN C#CCN1CC[C@]2(CCN(C(=O)C=C(O)c3ccccc3)C2)C1=O ZINC001271010165 843130693 /nfs/dbraw/zinc/13/06/93/843130693.db2.gz ZMFCXUXUJNMDAI-LJQANCHMSA-N 0 2 324.380 1.344 20 30 DDEDLN C=CCN1C(=O)COCC12CN(Cc1c(O)cc(F)cc1F)C2 ZINC001272616911 846413440 /nfs/dbraw/zinc/41/34/40/846413440.db2.gz QGFKZQSZLHRPER-UHFFFAOYSA-N 0 2 324.327 1.270 20 30 DDEDLN Cc1c(C(=O)N[C@@H](C)c2nn(C)cc2O)cnn1CCC#N ZINC001413770734 858509761 /nfs/dbraw/zinc/50/97/61/858509761.db2.gz ZKYLVLDYVLEXOI-VIFPVBQESA-N 0 2 302.338 1.035 20 30 DDEDLN N#C[C@H](C(=O)CCn1cccn1)c1nc(N)c2ccccc2n1 ZINC001122624732 858918394 /nfs/dbraw/zinc/91/83/94/858918394.db2.gz LXHUZCRXBZEFQU-GFCCVEGCSA-N 0 2 306.329 1.675 20 30 DDEDLN CO[C@H]1CCn2cc(C(=O)C(C#N)c3cccc(F)n3)nc2C1 ZINC001122736113 858954705 /nfs/dbraw/zinc/95/47/05/858954705.db2.gz QAARORLOJVTAFX-QWRGUYRKSA-N 0 2 314.320 1.868 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001339209512 870403245 /nfs/dbraw/zinc/40/32/45/870403245.db2.gz AXOARKAIAJGGLJ-IUCAKERBSA-N 0 2 307.789 1.995 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CC[C@H](OC)C1 ZINC001340207316 870960361 /nfs/dbraw/zinc/96/03/61/870960361.db2.gz PGRXXNYQIUKKGP-NSHDSACASA-N 0 2 318.381 1.278 20 30 DDEDLN CC#CCCCC(=O)N(CC)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001318479540 872103031 /nfs/dbraw/zinc/10/30/31/872103031.db2.gz RBFGZSBDXUHKQB-ZDUSSCGKSA-N 0 2 319.409 1.127 20 30 DDEDLN CC#CCCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001318479540 872103040 /nfs/dbraw/zinc/10/30/40/872103040.db2.gz RBFGZSBDXUHKQB-ZDUSSCGKSA-N 0 2 319.409 1.127 20 30 DDEDLN C=CCC(C)(C)C(=O)N(C)C1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001316934205 872410326 /nfs/dbraw/zinc/41/03/26/872410326.db2.gz VCOTYDQXUVLRLL-UHFFFAOYSA-N 0 2 321.425 1.535 20 30 DDEDLN C#CCNCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC001343409688 872613574 /nfs/dbraw/zinc/61/35/74/872613574.db2.gz QAIAFCGFEOYGFH-UHFFFAOYSA-N 0 2 303.431 1.397 20 30 DDEDLN CNC(=O)Cc1ccccc1NC(=O)c1[nH]c(=O)c(C#N)cc1C ZINC001361920077 882642483 /nfs/dbraw/zinc/64/24/83/882642483.db2.gz ZBJCEYPIOHKZQP-UHFFFAOYSA-N 0 2 324.340 1.508 20 30 DDEDLN C=CCN(C)c1nnc(-c2n[nH]c(Cl)n2)n1C[C@H]1CCCO1 ZINC001343803023 872766822 /nfs/dbraw/zinc/76/68/22/872766822.db2.gz UASKUBALFOJLAD-SECBINFHSA-N 0 2 323.788 1.518 20 30 DDEDLN N#CCc1cccc(NS(=O)(=O)c2cnc(Cl)nc2)c1 ZINC000313454598 878472724 /nfs/dbraw/zinc/47/27/24/878472724.db2.gz WGZZIQRBOGDXGY-UHFFFAOYSA-N 0 2 308.750 1.997 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001356767842 879321069 /nfs/dbraw/zinc/32/10/69/879321069.db2.gz VISDWUISUKLEPX-WPRPVWTQSA-N 0 2 310.291 1.816 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)N1CC(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001356767842 879321085 /nfs/dbraw/zinc/32/10/85/879321085.db2.gz VISDWUISUKLEPX-WPRPVWTQSA-N 0 2 310.291 1.816 20 30 DDEDLN C=C[C@H](Oc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)C(=O)OC ZINC001229623935 884082543 /nfs/dbraw/zinc/08/25/43/884082543.db2.gz LULONKDURIJTCK-RYUDHWBXSA-N 0 2 321.354 1.687 20 30 DDEDLN COc1cccc(Cl)c1CNc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001363144602 885575258 /nfs/dbraw/zinc/57/52/58/885575258.db2.gz OGCJRWUQWAYGLK-UHFFFAOYSA-N 0 2 320.736 1.219 20 30 DDEDLN Cc1ccnc(N2CC[NH+](Cc3ccc(C#N)cc3O)CC2)n1 ZINC001233388445 886973109 /nfs/dbraw/zinc/97/31/09/886973109.db2.gz ZIDCVBGXPUUGAP-UHFFFAOYSA-N 0 2 309.373 1.685 20 30 DDEDLN CCCC1CCC(N(C)c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 ZINC001363732774 887096646 /nfs/dbraw/zinc/09/66/46/887096646.db2.gz OLZCKOCOKQWOGS-UHFFFAOYSA-N 0 2 304.394 1.740 20 30 DDEDLN C=C(C)CCC(=O)N[C@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC001278509949 893751435 /nfs/dbraw/zinc/75/14/35/893751435.db2.gz HQJJXNBLAYBQJO-RYUDHWBXSA-N 0 2 307.398 1.336 20 30 DDEDLN C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC001278509949 893751448 /nfs/dbraw/zinc/75/14/48/893751448.db2.gz HQJJXNBLAYBQJO-RYUDHWBXSA-N 0 2 307.398 1.336 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)c2cc(F)c(F)cc2F)ccn1 ZINC001259035031 898432785 /nfs/dbraw/zinc/43/27/85/898432785.db2.gz YKDQYPOISJWQOK-UHFFFAOYSA-N 0 2 313.260 1.593 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccc(Cl)cc1F ZINC001259514229 898710341 /nfs/dbraw/zinc/71/03/41/898710341.db2.gz COQPPICRMFUSEP-SECBINFHSA-N 0 2 320.729 1.213 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)CCc2cccc(F)c2)CCC1=O ZINC001259771022 898791396 /nfs/dbraw/zinc/79/13/96/898791396.db2.gz YLXLKZJRXRGSPG-LBPRGKRZSA-N 0 2 310.350 1.113 20 30 DDEDLN COCCS(=O)(=O)Nc1c(C#N)cnn1-c1ccc(C)cc1 ZINC001259965858 898991853 /nfs/dbraw/zinc/99/18/53/898991853.db2.gz SWJWKASLXADFOY-UHFFFAOYSA-N 0 2 320.374 1.441 20 30 DDEDLN C#Cc1cc(=NS(=O)(=O)c2ccc(OC)c(F)c2)cc[nH]1 ZINC001260656548 899206244 /nfs/dbraw/zinc/20/62/44/899206244.db2.gz FDOYJLYWTRVCOM-UHFFFAOYSA-N 0 2 306.318 1.433 20 30 DDEDLN CC(=O)Nc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1C#N ZINC001260960850 899300605 /nfs/dbraw/zinc/30/06/05/899300605.db2.gz RMPYREKYGHUTHV-UHFFFAOYSA-N 0 2 305.319 1.041 20 30 DDEDLN CC#CCCCC(=O)NC/C=C\CNC(=O)C(F)C(F)(F)F ZINC001285567326 910803176 /nfs/dbraw/zinc/80/31/76/910803176.db2.gz CERKSBPJQZXRGT-ZHRWSRJISA-N 0 2 322.302 1.869 20 30 DDEDLN CC#CCCCC(=O)NC/C=C\CNC(=O)[C@@H](F)C(F)(F)F ZINC001285567326 910803191 /nfs/dbraw/zinc/80/31/91/910803191.db2.gz CERKSBPJQZXRGT-ZHRWSRJISA-N 0 2 322.302 1.869 20 30 DDEDLN CCN1CC[NH+](CCCNC(=O)c2cc(O)cc(C#N)c2)CC1 ZINC000614295409 361792680 /nfs/dbraw/zinc/79/26/80/361792680.db2.gz PRAWITRENJAAPL-UHFFFAOYSA-N 0 2 316.405 1.021 20 30 DDEDLN COCCn1cc(S(=O)(=O)Nc2cccc(CC#N)c2)cn1 ZINC000451117894 231012981 /nfs/dbraw/zinc/01/29/81/231012981.db2.gz VPCCKKWUHVVHSH-UHFFFAOYSA-N 0 2 320.374 1.396 20 30 DDEDLN COC(=O)c1ccc(S(=O)(=O)N(CC#N)C2CCCC2)o1 ZINC000159563757 186127301 /nfs/dbraw/zinc/12/73/01/186127301.db2.gz MCWJULYIZSQHQT-UHFFFAOYSA-N 0 2 312.347 1.523 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nc3ccccn3n2)c(F)c1 ZINC000130710805 354096156 /nfs/dbraw/zinc/09/61/56/354096156.db2.gz OJVOQSPQHFBVHB-UHFFFAOYSA-N 0 2 317.305 1.541 20 30 DDEDLN Cc1ncc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)c(C)n1 ZINC000179913897 354263843 /nfs/dbraw/zinc/26/38/43/354263843.db2.gz FUGGYYBSSMLDGA-LBPRGKRZSA-N 0 2 310.361 1.901 20 30 DDEDLN COc1ccnc(NS(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000589587208 355002682 /nfs/dbraw/zinc/00/26/82/355002682.db2.gz MJUXIDSNTAVDIG-UHFFFAOYSA-N 0 2 303.343 1.957 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1C#N ZINC000593801934 356002311 /nfs/dbraw/zinc/00/23/11/356002311.db2.gz GGLSWLVOPPOKIY-IEBDPFPHSA-N 0 2 305.359 1.430 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cnn3c2CCCC3)cc1 ZINC000601979673 358764807 /nfs/dbraw/zinc/76/48/07/358764807.db2.gz RWADQOGXKWVWME-UHFFFAOYSA-N 0 2 302.359 1.892 20 30 DDEDLN CC(C)(C)c1nc(=NC(=O)N2CCN(CCC#N)CC2)s[nH]1 ZINC000602829463 359221502 /nfs/dbraw/zinc/22/15/02/359221502.db2.gz IVQCFGGSAQNAKY-UHFFFAOYSA-N 0 2 322.438 1.321 20 30 DDEDLN Cc1cccc2c1[nH]cc(C(=O)N1CCN(CCC#N)CC1)c2=O ZINC000603263232 359524981 /nfs/dbraw/zinc/52/49/81/359524981.db2.gz HAJHQJZQTDHZOC-UHFFFAOYSA-N 0 2 324.384 1.508 20 30 DDEDLN COCCN(CCC#N)C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000610491987 360450950 /nfs/dbraw/zinc/45/09/50/360450950.db2.gz SOBBURXODMYHGE-UHFFFAOYSA-N 0 2 316.317 1.032 20 30 DDEDLN O=C(NCc1n[nH]c(=O)[nH]1)c1cccnc1N1CCCCC1 ZINC000330035457 223066705 /nfs/dbraw/zinc/06/67/05/223066705.db2.gz BUOVAQBKFRFOQU-UHFFFAOYSA-N 0 2 302.338 1.400 20 30 DDEDLN N#Cc1cccc(OCCCOc2coc(CO)cc2=O)c1 ZINC000194646987 201269092 /nfs/dbraw/zinc/26/90/92/201269092.db2.gz VWHIKIFRSGJGNK-UHFFFAOYSA-N 0 2 301.298 1.852 20 30 DDEDLN N#Cc1c(F)cccc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000566680297 304176026 /nfs/dbraw/zinc/17/60/26/304176026.db2.gz DSIPRDKYUOTILD-UHFFFAOYSA-N 0 2 315.308 1.541 20 30 DDEDLN CC(C)N(CCC#N)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000525863388 335030274 /nfs/dbraw/zinc/03/02/74/335030274.db2.gz GBVGPUYOVYSPIZ-UHFFFAOYSA-N 0 2 323.422 1.347 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH]c1C#N ZINC000026273429 248184186 /nfs/dbraw/zinc/18/41/86/248184186.db2.gz JWGBEPVDKYRZLH-UHFFFAOYSA-N 0 2 316.664 1.967 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2cc(N(C)C)ncn2)ccc1C#N ZINC000340369903 251030907 /nfs/dbraw/zinc/03/09/07/251030907.db2.gz QQIQBNVAGLYCEB-UHFFFAOYSA-N 0 2 317.374 1.524 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCCO3)cc2[nH]c1=S ZINC000158864883 197307387 /nfs/dbraw/zinc/30/73/87/197307387.db2.gz KCSQIXSRVRRQJT-UHFFFAOYSA-N 0 2 317.370 1.649 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccn(-c3ccccc3)n2)[nH]c1C#N ZINC000030861258 406935584 /nfs/dbraw/zinc/93/55/84/406935584.db2.gz CZRXNZFCLZFJEP-UHFFFAOYSA-N 0 2 303.285 1.591 20 30 DDEDLN CCN(CC)C(=O)CCCC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000103269188 407335100 /nfs/dbraw/zinc/33/51/00/407335100.db2.gz FODXEAPYJZAZRR-UHFFFAOYSA-N 0 2 302.338 1.130 20 30 DDEDLN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cn[nH]c1 ZINC000174255833 407925661 /nfs/dbraw/zinc/92/56/61/407925661.db2.gz NWNZVOFTXHOCQQ-UHFFFAOYSA-N 0 2 305.363 1.904 20 30 DDEDLN Cc1nsc(N2CCN(C[C@@H](O)COC(C)C)CC2)c1C#N ZINC000289461063 409276652 /nfs/dbraw/zinc/27/66/52/409276652.db2.gz MBAGTMVGGDPZCT-CYBMUJFWSA-N 0 2 324.450 1.231 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CC3CCC2CC3)c1 ZINC000408151066 164243464 /nfs/dbraw/zinc/24/34/64/164243464.db2.gz YRXKJVFDLPXIQT-OVGLSYRBSA-N 0 2 319.386 1.584 20 30 DDEDLN CC1(C(=O)NS(=O)(=O)c2cncc(C#N)c2)CCCCC1 ZINC000408484987 164346737 /nfs/dbraw/zinc/34/67/37/164346737.db2.gz GAYFOAJNVUVWAA-UHFFFAOYSA-N 0 2 307.375 1.729 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CSC[C@H]2C)cc1C#N ZINC000342466698 409655269 /nfs/dbraw/zinc/65/52/69/409655269.db2.gz PWUFXZFEKRKOJO-XCBNKYQSSA-N 0 2 309.416 1.862 20 30 DDEDLN C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2cncc(C#N)c2)cn1 ZINC000357103816 409872869 /nfs/dbraw/zinc/87/28/69/409872869.db2.gz LDFYEPQMBOSZJM-JTQLQIEISA-N 0 2 317.374 1.922 20 30 DDEDLN COCC1(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)CCC1 ZINC000357175264 409924423 /nfs/dbraw/zinc/92/44/23/409924423.db2.gz DZOXXPLTAMOGCI-UHFFFAOYSA-N 0 2 307.375 1.680 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(C(F)(F)F)cn2)[nH]c1C#N ZINC000355049527 410264942 /nfs/dbraw/zinc/26/49/42/410264942.db2.gz VIXHCNUVNVMQMN-UHFFFAOYSA-N 0 2 306.207 1.819 20 30 DDEDLN CC(C)(C#N)CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000359654760 410798729 /nfs/dbraw/zinc/79/87/29/410798729.db2.gz XZPQGBGQHOTMRJ-UHFFFAOYSA-N 0 2 302.309 1.997 20 30 DDEDLN COc1cncc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)n1 ZINC000361193348 418601650 /nfs/dbraw/zinc/60/16/50/418601650.db2.gz CTRITIMOBFGEIY-JTQLQIEISA-N 0 2 307.313 1.862 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2cc(C#N)ccc2C)nn1 ZINC000361848720 418718108 /nfs/dbraw/zinc/71/81/08/418718108.db2.gz BQVULAPGZYGXMP-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN CC(C)Cn1cc(NS(=O)(=O)c2ccc(C#N)nc2)cn1 ZINC000438775133 420465970 /nfs/dbraw/zinc/46/59/70/420465970.db2.gz GCWVVHARXVQSIQ-UHFFFAOYSA-N 0 2 305.363 1.607 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CCCC23CC3)c1 ZINC000529022056 421526335 /nfs/dbraw/zinc/52/63/35/421526335.db2.gz QQTPNRDLQCVEDE-LBPRGKRZSA-N 0 2 305.359 1.338 20 30 DDEDLN CO[C@H]1C[C@@H](N(C)C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000583951798 422227015 /nfs/dbraw/zinc/22/70/15/422227015.db2.gz QZQJTTOJVBSFAX-AOOOYVTPSA-N 0 2 307.375 1.630 20 30 DDEDLN CCNc1ccc(C#N)cc1NC(=O)CSc1n[nH]c(=O)[nH]1 ZINC000354095687 266171086 /nfs/dbraw/zinc/17/10/86/266171086.db2.gz DARZYHGXWFIHGF-UHFFFAOYSA-N 0 2 318.362 1.545 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000347361227 268197412 /nfs/dbraw/zinc/19/74/12/268197412.db2.gz VSVNHWAXPGCCHJ-UHFFFAOYSA-N 0 2 304.287 1.084 20 30 DDEDLN N#Cc1cscc1C(=O)Nc1cc(S(N)(=O)=O)ccc1O ZINC000344963384 268321325 /nfs/dbraw/zinc/32/13/25/268321325.db2.gz CTBPAECMFMCDFL-UHFFFAOYSA-N 0 2 323.355 1.225 20 30 DDEDLN N#Cc1c(Cl)nsc1N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000370747596 301383197 /nfs/dbraw/zinc/38/31/97/301383197.db2.gz CUGVMBGCCISFOW-LURJTMIESA-N 0 2 310.770 1.876 20 30 DDEDLN N#C[C@@H]1CSCCN1C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000342405515 303163483 /nfs/dbraw/zinc/16/34/83/303163483.db2.gz IVFVXINGQJXQHE-LLVKDONJSA-N 0 2 316.342 1.111 20 30 DDEDLN COC(=O)N1CCC(/N=C/c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000066887823 331891550 /nfs/dbraw/zinc/89/15/50/331891550.db2.gz JJKOYTWZEGPGKD-OQLLNIDSSA-N 0 2 307.306 1.950 20 30 DDEDLN Cc1nnc(NS(=O)(=O)Cc2ccc(CC#N)cc2)s1 ZINC000569928081 332693118 /nfs/dbraw/zinc/69/31/18/332693118.db2.gz WVLOHDSCTAOJMV-UHFFFAOYSA-N 0 2 308.388 1.855 20 30 DDEDLN C=CCCn1cc(C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])nn1 ZINC000656190784 484008079 /nfs/dbraw/zinc/00/80/79/484008079.db2.gz RHNLEIBAQQHWIR-MRXNPFEDSA-N 0 2 312.373 1.866 20 30 DDEDLN C=CCCn1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])nn1 ZINC000656190784 484008084 /nfs/dbraw/zinc/00/80/84/484008084.db2.gz RHNLEIBAQQHWIR-MRXNPFEDSA-N 0 2 312.373 1.866 20 30 DDEDLN O=C(NCc1n[nH]c(=O)[nH]1)c1ccc(C#Cc2ccccc2)cc1 ZINC000673951571 485483938 /nfs/dbraw/zinc/48/39/38/485483938.db2.gz UYABEUXBHGBXDX-UHFFFAOYSA-N 0 2 318.336 1.840 20 30 DDEDLN Cc1csc([C@@H](C#N)C(=O)c2ccc(-c3nn[nH]n3)nc2)n1 ZINC000737456337 599151039 /nfs/dbraw/zinc/15/10/39/599151039.db2.gz DKWNKZXEYNGEBO-VIFPVBQESA-N 0 2 311.330 1.517 20 30 DDEDLN Cc1csc(C(C#N)C(=O)c2ccc(-c3nn[nH]n3)nc2)n1 ZINC000737456337 599151042 /nfs/dbraw/zinc/15/10/42/599151042.db2.gz DKWNKZXEYNGEBO-VIFPVBQESA-N 0 2 311.330 1.517 20 30 DDEDLN CC(=O)NCC[N@H+](CC#Cc1ccc(F)cc1)[C@H](C)C(=O)[O-] ZINC000819770460 597680491 /nfs/dbraw/zinc/68/04/91/597680491.db2.gz UFBWXPHSTQMZPP-GFCCVEGCSA-N 0 2 306.337 1.088 20 30 DDEDLN CC(=O)NCC[N@@H+](CC#Cc1ccc(F)cc1)[C@H](C)C(=O)[O-] ZINC000819770460 597680494 /nfs/dbraw/zinc/68/04/94/597680494.db2.gz UFBWXPHSTQMZPP-GFCCVEGCSA-N 0 2 306.337 1.088 20 30 DDEDLN C[C@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000819846981 598224675 /nfs/dbraw/zinc/22/46/75/598224675.db2.gz IZJRSNCRFVKSHG-OAHLLOKOSA-N 0 2 316.292 1.954 20 30 DDEDLN C#C[C@H](C)OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000819688789 599624547 /nfs/dbraw/zinc/62/45/47/599624547.db2.gz MATLQFLGUHBFCC-QMMMGPOBSA-N 0 2 315.333 1.082 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000739583043 601979109 /nfs/dbraw/zinc/97/91/09/601979109.db2.gz FNRWMRULNMSNHC-CYBMUJFWSA-N 0 2 322.409 1.403 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000739583043 601979112 /nfs/dbraw/zinc/97/91/12/601979112.db2.gz FNRWMRULNMSNHC-CYBMUJFWSA-N 0 2 322.409 1.403 20 30 DDEDLN CCc1ccc(OCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000122715099 696724185 /nfs/dbraw/zinc/72/41/85/696724185.db2.gz PMKBBQWKAXYKBN-CQSZACIVSA-N 0 2 311.341 1.953 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000747406902 700068493 /nfs/dbraw/zinc/06/84/93/700068493.db2.gz MISRKKLNQQMEJU-UHFFFAOYSA-N 0 2 307.291 1.116 20 30 DDEDLN Cn1cc2c(n1)CCC[C@H]2C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000798842974 700101174 /nfs/dbraw/zinc/10/11/74/700101174.db2.gz CPFZAJMDFLDUPB-GHMZBOCLSA-N 0 2 311.345 1.165 20 30 DDEDLN COC[C@@H](C)NC(=S)NN=Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000748132286 700101446 /nfs/dbraw/zinc/10/14/46/700101446.db2.gz SKRLTCMEOYYHEF-MRVPVSSYSA-N 0 2 312.351 1.133 20 30 DDEDLN C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000788308365 699301163 /nfs/dbraw/zinc/30/11/63/699301163.db2.gz IYPSRMKQXMDRIC-RQJHMYQMSA-N 0 2 310.213 1.982 20 30 DDEDLN C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CCN1CC(F)(F)F ZINC000788308365 699301166 /nfs/dbraw/zinc/30/11/66/699301166.db2.gz IYPSRMKQXMDRIC-RQJHMYQMSA-N 0 2 310.213 1.982 20 30 DDEDLN C#CCCN1CCN(C(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)CC1 ZINC000744366193 699946666 /nfs/dbraw/zinc/94/66/66/699946666.db2.gz GKPPHTRJWAFTSW-UHFFFAOYSA-N 0 2 324.384 1.425 20 30 DDEDLN COc1nccnc1NN=C1C(=O)Nc2cccc(Cl)c21 ZINC000763426280 700937727 /nfs/dbraw/zinc/93/77/27/700937727.db2.gz OLFDOABQEZDBHZ-UHFFFAOYSA-N 0 2 303.709 1.907 20 30 DDEDLN O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)C(F)C(F)(F)F ZINC000764510135 700974579 /nfs/dbraw/zinc/97/45/79/700974579.db2.gz VWBQMKXBJQRBCT-WHFBIAKZSA-N 0 2 310.169 1.166 20 30 DDEDLN O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)[C@H](F)C(F)(F)F ZINC000764510135 700974581 /nfs/dbraw/zinc/97/45/81/700974581.db2.gz VWBQMKXBJQRBCT-WHFBIAKZSA-N 0 2 310.169 1.166 20 30 DDEDLN CCCCCC/N=C1/NC(=O)[C@H](CC(=O)NCCCO)S1 ZINC000840700588 702214794 /nfs/dbraw/zinc/21/47/94/702214794.db2.gz DSNXDIKCJGWMHD-NSHDSACASA-N 0 2 315.439 1.043 20 30 DDEDLN C#CCCCS(=O)(=O)Nc1nccc(-c2cnn(C)c2)n1 ZINC000840947858 702289435 /nfs/dbraw/zinc/28/94/35/702289435.db2.gz OFYPCGOLKKCESP-UHFFFAOYSA-N 0 2 305.363 1.032 20 30 DDEDLN CCCN1C[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)CC1=O ZINC000817707718 702457683 /nfs/dbraw/zinc/45/76/83/702457683.db2.gz MEGYXZIKQJOJLT-LKBVRNOZSA-N 0 2 305.334 1.978 20 30 DDEDLN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000843726274 702917251 /nfs/dbraw/zinc/91/72/51/702917251.db2.gz LARDZMGWZZXNDI-SVGQVSJJSA-N 0 2 324.196 1.414 20 30 DDEDLN CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000843726274 702917253 /nfs/dbraw/zinc/91/72/53/702917253.db2.gz LARDZMGWZZXNDI-SVGQVSJJSA-N 0 2 324.196 1.414 20 30 DDEDLN COCCCNC(=O)C(C#N)=C([O-])c1c[nH+]c2n1[C@H](C)CCC2 ZINC000845440443 703157231 /nfs/dbraw/zinc/15/72/31/703157231.db2.gz RKSWHCSGEXWPRM-NEPJUHHUSA-N 0 2 318.377 1.256 20 30 DDEDLN O=C1O[C@@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)CN1C1CC1 ZINC000846757068 703327134 /nfs/dbraw/zinc/32/71/34/703327134.db2.gz RZRLTZQJTYGPGT-FCGPPKDQSA-N 0 2 305.290 1.703 20 30 DDEDLN CC(=NNCCCn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000848418849 703548470 /nfs/dbraw/zinc/54/84/70/703548470.db2.gz PSBMPJGOMLDJON-UHFFFAOYSA-N 0 2 303.322 1.901 20 30 DDEDLN CC(C)(C)N1C[C@H](C(=O)NOc2cccc(C#N)c2)CC1=O ZINC000870693318 704105077 /nfs/dbraw/zinc/10/50/77/704105077.db2.gz CCOMHVMRFLMQKH-GFCCVEGCSA-N 0 2 301.346 1.615 20 30 DDEDLN CN(CCC#N)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000858750959 704752636 /nfs/dbraw/zinc/75/26/36/704752636.db2.gz YTLZAUOKZYTDJG-UHFFFAOYSA-N 0 2 303.240 1.444 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCN(c2ccccc2)C1 ZINC000835234986 707201064 /nfs/dbraw/zinc/20/10/64/707201064.db2.gz LRRDANMCHMEKFE-DZGCQCFKSA-N 0 2 322.368 1.838 20 30 DDEDLN CC(C)CCNC(=O)C[C@@H]1S/C(=N/CC(F)F)NC1=O ZINC000887268716 709002959 /nfs/dbraw/zinc/00/29/59/709002959.db2.gz SNWNIKKMFWGUJQ-QMMMGPOBSA-N 0 2 307.366 1.392 20 30 DDEDLN C=CCCC[C@@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)C(=O)[O-] ZINC000910925976 710121959 /nfs/dbraw/zinc/12/19/59/710121959.db2.gz PFNNYJMDSWHRLI-YPDDLIOESA-N 0 2 310.394 1.191 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2ccnn2[C@H]2CCOC2)c1 ZINC000903668615 711240867 /nfs/dbraw/zinc/24/08/67/711240867.db2.gz QYFAEFXXNXUFKS-LBPRGKRZSA-N 0 2 318.358 1.517 20 30 DDEDLN C[C@@H](CNc1ccncc1C#N)N(C)C(=O)C(F)C(F)(F)F ZINC001104847136 737276756 /nfs/dbraw/zinc/27/67/56/737276756.db2.gz DHSORKBKGSFKON-KWQFWETISA-N 0 2 318.274 1.534 20 30 DDEDLN C[C@@H](CNc1ccncc1C#N)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001104847136 737276760 /nfs/dbraw/zinc/27/67/60/737276760.db2.gz DHSORKBKGSFKON-KWQFWETISA-N 0 2 318.274 1.534 20 30 DDEDLN CN(CCN(C)c1ccc(C#N)cn1)C(=O)C(F)C(F)(F)F ZINC001105588977 742133084 /nfs/dbraw/zinc/13/30/84/742133084.db2.gz DUHRPQQFZDGFJH-LLVKDONJSA-N 0 2 318.274 1.748 20 30 DDEDLN CN(CCN(C)c1ccc(C#N)cn1)C(=O)[C@@H](F)C(F)(F)F ZINC001105588977 742133086 /nfs/dbraw/zinc/13/30/86/742133086.db2.gz DUHRPQQFZDGFJH-LLVKDONJSA-N 0 2 318.274 1.748 20 30 DDEDLN Cc1cccc(O)c1C(=O)Nc1c(C#N)cnc2c(C#N)cnn21 ZINC001188639319 744744366 /nfs/dbraw/zinc/74/43/66/744744366.db2.gz WVJYTINPGYAYFJ-UHFFFAOYSA-N 0 2 318.296 1.739 20 30 DDEDLN CCOC(=O)c1[nH]cnc1NC(=O)c1ccc(O)c(C#N)c1 ZINC001193499411 746120851 /nfs/dbraw/zinc/12/08/51/746120851.db2.gz QESWMHVKBQZFAQ-UHFFFAOYSA-N 0 2 300.274 1.416 20 30 DDEDLN CCOC(=O)c1nc[nH]c1NC(=O)c1ccc(O)c(C#N)c1 ZINC001193499411 746120856 /nfs/dbraw/zinc/12/08/56/746120856.db2.gz QESWMHVKBQZFAQ-UHFFFAOYSA-N 0 2 300.274 1.416 20 30 DDEDLN N#Cc1nc(Cl)ccc1NS(=O)(=O)C1CCC(=O)CC1 ZINC001194758103 746458288 /nfs/dbraw/zinc/45/82/88/746458288.db2.gz QKFRMILMMYBBQL-UHFFFAOYSA-N 0 2 313.766 1.860 20 30 DDEDLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001099742633 756761637 /nfs/dbraw/zinc/76/16/37/756761637.db2.gz VLFQDZSFWKDNBZ-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNC(=O)[C@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001099742633 756761640 /nfs/dbraw/zinc/76/16/40/756761640.db2.gz VLFQDZSFWKDNBZ-XVKPBYJWSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CN(C)c1ccncc1C#N)NC(=O)C(F)C(F)(F)F ZINC001109274584 763537058 /nfs/dbraw/zinc/53/70/58/763537058.db2.gz GJJFRFHFKIDRKA-GZMMTYOYSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CN(C)c1ccncc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001109274584 763537061 /nfs/dbraw/zinc/53/70/61/763537061.db2.gz GJJFRFHFKIDRKA-GZMMTYOYSA-N 0 2 318.274 1.795 20 30 DDEDLN C=CCOCC[NH+]1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001113433605 765689260 /nfs/dbraw/zinc/68/92/60/765689260.db2.gz SQNMTXFZCUFZFV-UHFFFAOYSA-N 0 2 320.437 1.319 20 30 DDEDLN N#Cc1ccc(O)c(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000811686343 769350287 /nfs/dbraw/zinc/35/02/87/769350287.db2.gz AXSPEVKQIZURBK-UHFFFAOYSA-N 0 2 300.299 1.331 20 30 DDEDLN N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001097106814 771626948 /nfs/dbraw/zinc/62/69/48/771626948.db2.gz ZUYWMXLPXIJBCV-FXPVBKGRSA-N 0 2 316.258 1.335 20 30 DDEDLN N#Cc1cnccc1N[C@H]1C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001097106814 771626952 /nfs/dbraw/zinc/62/69/52/771626952.db2.gz ZUYWMXLPXIJBCV-FXPVBKGRSA-N 0 2 316.258 1.335 20 30 DDEDLN N#Cc1cc(C(=O)N[C@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)co1 ZINC001171154816 772457985 /nfs/dbraw/zinc/45/79/85/772457985.db2.gz USQHSRBCRWAKKT-CYBMUJFWSA-N 0 2 323.312 1.689 20 30 DDEDLN C#CCN1CC(OC2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001093537555 774800968 /nfs/dbraw/zinc/80/09/68/774800968.db2.gz ZYVNRGMOEANSAD-GFCCVEGCSA-N 0 2 322.302 1.212 20 30 DDEDLN C#CCN1CC(OC2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)C1 ZINC001093537555 774800978 /nfs/dbraw/zinc/80/09/78/774800978.db2.gz ZYVNRGMOEANSAD-GFCCVEGCSA-N 0 2 322.302 1.212 20 30 DDEDLN N#CCN[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001099254378 774919841 /nfs/dbraw/zinc/91/98/41/774919841.db2.gz KUMBKDYQVHMCLQ-QYNIQEEDSA-N 0 2 321.196 1.389 20 30 DDEDLN N#CCN[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001099254378 774919843 /nfs/dbraw/zinc/91/98/43/774919843.db2.gz KUMBKDYQVHMCLQ-QYNIQEEDSA-N 0 2 321.196 1.389 20 30 DDEDLN C[C@H](CCNC(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001099742677 775211736 /nfs/dbraw/zinc/21/17/36/775211736.db2.gz WWWDGNDGNZEQSS-KCJUWKMLSA-N 0 2 318.274 1.582 20 30 DDEDLN C[C@H](CCNC(=O)[C@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001099742677 775211739 /nfs/dbraw/zinc/21/17/39/775211739.db2.gz WWWDGNDGNZEQSS-KCJUWKMLSA-N 0 2 318.274 1.582 20 30 DDEDLN Cc1cc(NCCCNC(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001094846771 776486174 /nfs/dbraw/zinc/48/61/74/776486174.db2.gz ZZWGYAZZSVOBHG-LLVKDONJSA-N 0 2 318.274 1.502 20 30 DDEDLN Cc1cc(NCCCNC(=O)[C@@H](F)C(F)(F)F)c(C#N)cn1 ZINC001094846771 776486181 /nfs/dbraw/zinc/48/61/81/776486181.db2.gz ZZWGYAZZSVOBHG-LLVKDONJSA-N 0 2 318.274 1.502 20 30 DDEDLN N#Cc1ccc(C2(C(=O)NCCc3n[nH]c(=S)o3)CC2)cc1 ZINC001154906424 861556893 /nfs/dbraw/zinc/55/68/93/861556893.db2.gz BRAXQTTZEKGOBH-UHFFFAOYSA-N 0 2 314.370 1.620 20 30 DDEDLN COCC#CCN1CC[C@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425392 846352212 /nfs/dbraw/zinc/35/22/12/846352212.db2.gz MWBAEYCMHOLGFA-WDEREUQCSA-N 0 2 310.291 1.069 20 30 DDEDLN CO[C@@H]1CCn2cc(C(=O)C(C#N)c3cccc(F)n3)nc2C1 ZINC001122736110 858954438 /nfs/dbraw/zinc/95/44/38/858954438.db2.gz QAARORLOJVTAFX-GHMZBOCLSA-N 0 2 314.320 1.868 20 30 DDEDLN C#CCNC(=O)N(CCC)Cc1nc(=O)c2sccc2[nH]1 ZINC001320179651 866538883 /nfs/dbraw/zinc/53/88/83/866538883.db2.gz UFZXSFLFLVPIKC-UHFFFAOYSA-N 0 2 304.375 1.952 20 30 DDEDLN CCOC(=O)N1CCC[C@H](Oc2[nH]c(=O)cc(C)c2C#N)C1 ZINC001226221641 882289023 /nfs/dbraw/zinc/28/90/23/882289023.db2.gz ORAKKEWLIRDPCX-NSHDSACASA-N 0 2 305.334 1.967 20 30 DDEDLN N#CC(C(=O)N1CCCC1)=C([O-])c1cccc(Cn2cc[nH+]c2)c1 ZINC001343562957 872671483 /nfs/dbraw/zinc/67/14/83/872671483.db2.gz GHXKQDVJAINZFS-INIZCTEOSA-N 0 2 322.368 1.876 20 30 DDEDLN C#CCCCC(=O)N1CC[C@H](NC(=O)C(F)C(F)(F)F)[C@H]1C ZINC001345402029 873390013 /nfs/dbraw/zinc/39/00/13/873390013.db2.gz SKKDRGNHYSPPRT-SCVCMEIPSA-N 0 2 322.302 1.796 20 30 DDEDLN C#CCCCC(=O)N1CC[C@H](NC(=O)[C@H](F)C(F)(F)F)[C@H]1C ZINC001345402029 873390027 /nfs/dbraw/zinc/39/00/27/873390027.db2.gz SKKDRGNHYSPPRT-SCVCMEIPSA-N 0 2 322.302 1.796 20 30 DDEDLN C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001379759186 877935115 /nfs/dbraw/zinc/93/51/15/877935115.db2.gz AZZWLJXSQLLFCX-SECBINFHSA-N 0 2 324.768 1.731 20 30 DDEDLN C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001379759186 877935121 /nfs/dbraw/zinc/93/51/21/877935121.db2.gz AZZWLJXSQLLFCX-SECBINFHSA-N 0 2 324.768 1.731 20 30 DDEDLN COCCn1cc(C(=O)C(C#N)c2nc3ccccc3n2C)nn1 ZINC001355936420 878785454 /nfs/dbraw/zinc/78/54/54/878785454.db2.gz VSRQOZAHEYYTSZ-NSHDSACASA-N 0 2 324.344 1.301 20 30 DDEDLN COCCn1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)nn1 ZINC001355936420 878785479 /nfs/dbraw/zinc/78/54/79/878785479.db2.gz VSRQOZAHEYYTSZ-NSHDSACASA-N 0 2 324.344 1.301 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001356767840 879320444 /nfs/dbraw/zinc/32/04/44/879320444.db2.gz VISDWUISUKLEPX-SCZZXKLOSA-N 0 2 310.291 1.816 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)N1CC(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001356767840 879320451 /nfs/dbraw/zinc/32/04/51/879320451.db2.gz VISDWUISUKLEPX-SCZZXKLOSA-N 0 2 310.291 1.816 20 30 DDEDLN C[C@H](CNC(=O)C#CC1CC1)CNC(=O)C(F)C(F)(F)F ZINC001357021954 879718607 /nfs/dbraw/zinc/71/86/07/879718607.db2.gz CVMOOMQRIGEGNH-KCJUWKMLSA-N 0 2 308.275 1.169 20 30 DDEDLN C[C@H](CNC(=O)C#CC1CC1)CNC(=O)[C@H](F)C(F)(F)F ZINC001357021954 879718613 /nfs/dbraw/zinc/71/86/13/879718613.db2.gz CVMOOMQRIGEGNH-KCJUWKMLSA-N 0 2 308.275 1.169 20 30 DDEDLN CC[C@@H](C#CC(=O)OC)Oc1cc(O)cc2occc(=O)c12 ZINC001233835475 887369189 /nfs/dbraw/zinc/36/91/89/887369189.db2.gz YSBDQNXNQRCHHG-NSHDSACASA-N 0 2 302.282 1.832 20 30 DDEDLN C[C@@H](O)CCCC(=O)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234514203 888044562 /nfs/dbraw/zinc/04/45/62/888044562.db2.gz TUQDPFSRALADJS-SECBINFHSA-N 0 2 301.302 1.664 20 30 DDEDLN C#Cc1cc(NS(=O)(=O)c2cc(OC)ccc2OC)ccn1 ZINC001254360397 896382991 /nfs/dbraw/zinc/38/29/91/896382991.db2.gz NBTRDWBGUVPESQ-UHFFFAOYSA-N 0 2 318.354 1.303 20 30 DDEDLN COc1ncc(NS(=O)(=O)c2cccc(C#N)c2)c(C)n1 ZINC001259118518 898475937 /nfs/dbraw/zinc/47/59/37/898475937.db2.gz RCKGXXMPSYEYNU-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN C=CCS(=O)(=O)Nc1c(Br)cccc1C(N)=O ZINC001259930218 898946667 /nfs/dbraw/zinc/94/66/67/898946667.db2.gz NRUHUTZJFBGHOJ-UHFFFAOYSA-N 0 2 319.180 1.476 20 30 DDEDLN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001293575796 914563967 /nfs/dbraw/zinc/56/39/67/914563967.db2.gz CTVZYSFKMNKQKM-MWLCHTKSSA-N 0 2 310.291 1.960 20 30 DDEDLN C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001293575796 914563984 /nfs/dbraw/zinc/56/39/84/914563984.db2.gz CTVZYSFKMNKQKM-MWLCHTKSSA-N 0 2 310.291 1.960 20 30 DDEDLN C[N@@H+]1CCO[C@H](CN(CC2CC2)C(=O)N=c2cn[n-]s2)C1 ZINC000330217463 529788572 /nfs/dbraw/zinc/78/85/72/529788572.db2.gz ILUDSTWTEVARRP-NSHDSACASA-N 0 2 311.411 1.126 20 30 DDEDLN C[N@H+]1CCO[C@H](CN(CC2CC2)C(=O)N=c2cn[n-]s2)C1 ZINC000330217463 529788573 /nfs/dbraw/zinc/78/85/73/529788573.db2.gz ILUDSTWTEVARRP-NSHDSACASA-N 0 2 311.411 1.126 20 30 DDEDLN N#Cc1nc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)[n-]c1C#N ZINC000052557147 352617038 /nfs/dbraw/zinc/61/70/38/352617038.db2.gz PGLPKQOPBCAUMD-UHFFFAOYSA-N 0 2 317.312 1.650 20 30 DDEDLN N#Cc1ccc(O[C@@H]2CCN(c3[nH+]cccc3C(=O)[O-])C2)nc1 ZINC000592421100 355578416 /nfs/dbraw/zinc/57/84/16/355578416.db2.gz MUDUGVFQRNEELB-GFCCVEGCSA-N 0 2 310.313 1.704 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)NCc2n[nH]c([C@H]3CCCO3)n2)c1 ZINC000594387899 356192597 /nfs/dbraw/zinc/19/25/97/356192597.db2.gz ZEUPSCYCKXKTFN-GFCCVEGCSA-N 0 2 313.317 1.163 20 30 DDEDLN Cc1cc(N2CCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)c(C#N)cn1 ZINC000600674646 358279119 /nfs/dbraw/zinc/27/91/19/358279119.db2.gz FRBJJTALJRHQDW-UHFFFAOYSA-N 0 2 323.356 1.682 20 30 DDEDLN N#Cc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000062159711 184209319 /nfs/dbraw/zinc/20/93/19/184209319.db2.gz UDEBLJLPBBCKCK-UHFFFAOYSA-N 0 2 314.326 1.529 20 30 DDEDLN CC(=O)N[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)c1ccccc1 ZINC000026268716 406903408 /nfs/dbraw/zinc/90/34/08/406903408.db2.gz KIRKSDKGOXKYHH-LBPRGKRZSA-N 0 2 322.328 1.359 20 30 DDEDLN Cn1cc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)c2ccccc21 ZINC000066044681 407247801 /nfs/dbraw/zinc/24/78/01/407247801.db2.gz VBNWXBMNUSIBCI-UHFFFAOYSA-N 0 2 304.313 1.826 20 30 DDEDLN C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000066914547 407262875 /nfs/dbraw/zinc/26/28/75/407262875.db2.gz SRRTWBZRGYEFHZ-NXEZZACHSA-N 0 2 303.322 1.066 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cn1 ZINC000116710908 407769344 /nfs/dbraw/zinc/76/93/44/407769344.db2.gz AISGAANZVDLMLD-UHFFFAOYSA-N 0 2 313.289 1.216 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](C)CC#N)=N2)cc1 ZINC000180994665 407943102 /nfs/dbraw/zinc/94/31/02/407943102.db2.gz ZXSLXWMEMATUQZ-SNVBAGLBSA-N 0 2 300.318 1.618 20 30 DDEDLN N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c(F)c1 ZINC000269420737 408302659 /nfs/dbraw/zinc/30/26/59/408302659.db2.gz LRAQGJFWGYNANK-OAHLLOKOSA-N 0 2 304.369 1.127 20 30 DDEDLN COCCn1ccc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000158814395 408363441 /nfs/dbraw/zinc/36/34/41/408363441.db2.gz GZIXOOCHNHMZAP-UHFFFAOYSA-N 0 2 306.347 1.202 20 30 DDEDLN C#CCO[C@H](C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000294958649 409308049 /nfs/dbraw/zinc/30/80/49/409308049.db2.gz JTKAMJMYBYGGGN-GFCCVEGCSA-N 0 2 314.345 1.038 20 30 DDEDLN C[C@@H]1CCC[C@H](CC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000408489350 164347851 /nfs/dbraw/zinc/34/78/51/164347851.db2.gz RSUIYUDRLJEEBY-NEPJUHHUSA-N 0 2 321.402 1.975 20 30 DDEDLN CCOC(=O)c1cnc(C)c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000342422677 409617228 /nfs/dbraw/zinc/61/72/28/409617228.db2.gz HIMGNGHEOJRYTP-UHFFFAOYSA-N 0 2 324.300 1.285 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCO[C@@H](C)C2)cc1C#N ZINC000356866400 409671622 /nfs/dbraw/zinc/67/16/22/409671622.db2.gz ITULSRUQZUXKRO-VHSXEESVSA-N 0 2 321.402 1.926 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2nnc(C)s2)cc1C#N ZINC000349842332 409911870 /nfs/dbraw/zinc/91/18/70/409911870.db2.gz WOBPWVGDZDJNMS-UHFFFAOYSA-N 0 2 307.360 1.793 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)Cc2ccc[nH]2)cc1C#N ZINC000355506480 410553498 /nfs/dbraw/zinc/55/34/98/410553498.db2.gz VXFPKHPCOMZEQZ-UHFFFAOYSA-N 0 2 302.359 1.981 20 30 DDEDLN N#Cc1cnc2ccc(Cl)cc2c1NCc1n[nH]c(=O)[nH]1 ZINC000301796098 410799725 /nfs/dbraw/zinc/79/97/25/410799725.db2.gz UGJNQAUDWHCJKL-UHFFFAOYSA-N 0 2 300.709 1.783 20 30 DDEDLN CC(=O)Nc1ccncc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000356513303 411065016 /nfs/dbraw/zinc/06/50/16/411065016.db2.gz YCIXRXHHDANHNB-UHFFFAOYSA-N 0 2 316.342 1.134 20 30 DDEDLN CCCc1nnc(NS(=O)(=O)c2ccc(C#N)cc2OC)o1 ZINC000194742088 222181550 /nfs/dbraw/zinc/18/15/50/222181550.db2.gz NWHIQTUZGNSFQO-UHFFFAOYSA-N 0 2 322.346 1.703 20 30 DDEDLN CC(C)CCN(CCC#N)S(=O)(=O)NCC(F)(F)F ZINC000195222270 222194158 /nfs/dbraw/zinc/19/41/58/222194158.db2.gz DCWAPOLKUZWGBT-UHFFFAOYSA-N 0 2 301.334 1.645 20 30 DDEDLN NC(=O)[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC000378131533 418719472 /nfs/dbraw/zinc/71/94/72/418719472.db2.gz PJTNOQDZSSQLET-WDCZJNDASA-N 0 2 310.169 1.009 20 30 DDEDLN NC(=O)[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC000378131533 418719474 /nfs/dbraw/zinc/71/94/74/418719474.db2.gz PJTNOQDZSSQLET-WDCZJNDASA-N 0 2 310.169 1.009 20 30 DDEDLN N#C[C@H]1CN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CCO1 ZINC000365549618 418874889 /nfs/dbraw/zinc/87/48/89/418874889.db2.gz BVUHGGQFOHUXLC-VIFPVBQESA-N 0 2 321.387 1.445 20 30 DDEDLN COc1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)ncn1 ZINC000427760949 419728281 /nfs/dbraw/zinc/72/82/81/419728281.db2.gz DQMYCAXIVOSBQI-UHFFFAOYSA-N 0 2 308.294 1.297 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1CNc1nc(NCC)[nH+]c(NC(C)(C)C)n1 ZINC000425262209 420332804 /nfs/dbraw/zinc/33/28/04/420332804.db2.gz GOJDGBNELJBQAV-RYUDHWBXSA-N 0 2 320.441 1.361 20 30 DDEDLN Cc1ccc(/C=C/C(=O)NS(=O)(=O)c2ccc(C#N)nc2)o1 ZINC000492693652 420630949 /nfs/dbraw/zinc/63/09/49/420630949.db2.gz ZHHZYEDEGRDVRM-FNORWQNLSA-N 0 2 317.326 1.373 20 30 DDEDLN C=CCC1(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)CCOCC1 ZINC000565026440 421595690 /nfs/dbraw/zinc/59/56/90/421595690.db2.gz PUITYIZSSNIUOV-UHFFFAOYSA-N 0 2 320.393 1.589 20 30 DDEDLN C=C(C)C[NH+]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000568065841 421617869 /nfs/dbraw/zinc/61/78/69/421617869.db2.gz ISQHOKYMSHBDID-UHFFFAOYSA-N 0 2 324.402 1.267 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000573774845 422014035 /nfs/dbraw/zinc/01/40/35/422014035.db2.gz JDNHVAGPUJJEMP-NEPJUHHUSA-N 0 2 301.302 1.103 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cc(CC#N)ccn2)cn1 ZINC000584032363 422240856 /nfs/dbraw/zinc/24/08/56/422240856.db2.gz UJBZLTFESLZLAY-UHFFFAOYSA-N 0 2 304.331 1.352 20 30 DDEDLN C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000576126747 422370855 /nfs/dbraw/zinc/37/08/55/422370855.db2.gz JMBMNXXDRAFWNZ-OLZOCXBDSA-N 0 2 315.329 1.493 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2ccc(C#N)cc2F)s1 ZINC000610725214 422472311 /nfs/dbraw/zinc/47/23/11/422472311.db2.gz NPCHMQDTZCEGEO-UHFFFAOYSA-N 0 2 308.319 1.826 20 30 DDEDLN N#Cc1cc(C(=O)NCCCc2n[nH]c(=O)[nH]2)ccc1Cl ZINC000538687525 303388022 /nfs/dbraw/zinc/38/80/22/303388022.db2.gz ZWTOMXWGRYHRCS-UHFFFAOYSA-N 0 2 305.725 1.398 20 30 DDEDLN N#CCN1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436993231 484134753 /nfs/dbraw/zinc/13/47/53/484134753.db2.gz ZWKLTWNXZCETQO-UHFFFAOYSA-N 0 2 318.333 1.266 20 30 DDEDLN C#CCN(C(=O)C1=NN(c2ccc(OC)cc2)CC1=O)C1CC1 ZINC000491316744 526782629 /nfs/dbraw/zinc/78/26/29/526782629.db2.gz XKEAQLRRPQQFBZ-UHFFFAOYSA-N 0 2 311.341 1.824 20 30 DDEDLN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CC[S@@](=O)C1)C2 ZINC000330005363 528324132 /nfs/dbraw/zinc/32/41/32/528324132.db2.gz BVMLIQQLVORROI-RKFFSXRUSA-N 0 2 324.450 1.337 20 30 DDEDLN CC(C)[C@@H](C#N)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000343637556 528349250 /nfs/dbraw/zinc/34/92/50/528349250.db2.gz BXDCXRSIPWCBBT-GFCCVEGCSA-N 0 2 302.309 1.995 20 30 DDEDLN C[N@@H+]1CCc2nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])sc2C1 ZINC000820631047 597628867 /nfs/dbraw/zinc/62/88/67/597628867.db2.gz NOGSPGLVCOQBEF-CYBMUJFWSA-N 0 2 308.363 1.074 20 30 DDEDLN C[N@H+]1CCc2nc(NC(=O)[C@@](C)(C#N)CC(=O)[O-])sc2C1 ZINC000820631047 597628868 /nfs/dbraw/zinc/62/88/68/597628868.db2.gz NOGSPGLVCOQBEF-CYBMUJFWSA-N 0 2 308.363 1.074 20 30 DDEDLN N#CC1(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccccc2)CCCCC1 ZINC000739065984 599786352 /nfs/dbraw/zinc/78/63/52/599786352.db2.gz GDOPLTXGGUGEOM-HNNXBMFYSA-N 0 2 315.373 1.745 20 30 DDEDLN C[C@H](CNC(=O)[O-])[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000824967818 603562579 /nfs/dbraw/zinc/56/25/79/603562579.db2.gz VZKKRRINMNALDY-SNVBAGLBSA-N 0 2 315.333 1.696 20 30 DDEDLN C[C@H](CNC(=O)[O-])[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000824967818 603562582 /nfs/dbraw/zinc/56/25/82/603562582.db2.gz VZKKRRINMNALDY-SNVBAGLBSA-N 0 2 315.333 1.696 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000833816098 605353848 /nfs/dbraw/zinc/35/38/48/605353848.db2.gz CEOPNJKBYPXHTB-WFASDCNBSA-N 0 2 303.362 1.610 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000833816098 605353857 /nfs/dbraw/zinc/35/38/57/605353857.db2.gz CEOPNJKBYPXHTB-WFASDCNBSA-N 0 2 303.362 1.610 20 30 DDEDLN CSc1ccc(S(=O)(=O)Nc2cnn(CC#N)c2)cc1 ZINC000747407163 700068320 /nfs/dbraw/zinc/06/83/20/700068320.db2.gz NAONMBRSBSOWGN-UHFFFAOYSA-N 0 2 308.388 1.929 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cnn(CC#N)c2)cc1OC ZINC000747407798 700068563 /nfs/dbraw/zinc/06/85/63/700068563.db2.gz UVEPRRQMYISAOD-UHFFFAOYSA-N 0 2 322.346 1.225 20 30 DDEDLN Cc1cccc2[nH]c([C@@H](C#N)C(=O)[C@@H](C)n3cnc(C#N)n3)nc21 ZINC000798831415 700100117 /nfs/dbraw/zinc/10/01/17/700100117.db2.gz IKXUCCPYTDWBLU-MNOVXSKESA-N 0 2 319.328 1.772 20 30 DDEDLN Cc1cccc2nc([C@@H](C#N)C(=O)[C@@H](C)n3cnc(C#N)n3)[nH]c21 ZINC000798831415 700100118 /nfs/dbraw/zinc/10/01/18/700100118.db2.gz IKXUCCPYTDWBLU-MNOVXSKESA-N 0 2 319.328 1.772 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@H]1CSCCS1 ZINC000156227550 696959917 /nfs/dbraw/zinc/95/99/17/696959917.db2.gz OBOJZVNKBIKFCQ-VHSXEESVSA-N 0 2 309.416 1.550 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1COc2ccccc2C1 ZINC000178475649 697425136 /nfs/dbraw/zinc/42/51/36/697425136.db2.gz FGOXTEJLOJWBJW-QWHCGFSZSA-N 0 2 309.325 1.563 20 30 DDEDLN Cn1c(=O)c2ccc(C(=O)OCC(C)(C)C#N)cc2[nH]c1=S ZINC000180166335 697445033 /nfs/dbraw/zinc/44/50/33/697445033.db2.gz RXSZXEQSQGBBAZ-UHFFFAOYSA-N 0 2 317.370 1.929 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)Cc2ccnn2C)n1 ZINC000774066069 697839357 /nfs/dbraw/zinc/83/93/57/697839357.db2.gz INNGIGXTWZOCKL-JTQLQIEISA-N 0 2 318.358 1.472 20 30 DDEDLN Cc1ccc(F)c2c1NC(=O)C2=NNc1ncnc2[nH]cnc21 ZINC000750934824 700258938 /nfs/dbraw/zinc/25/89/38/700258938.db2.gz QNMHZNJPCXORNQ-UHFFFAOYSA-N 0 2 311.280 1.569 20 30 DDEDLN O=[N+]([O-])c1ccc(C=NN[C@@H](CO)c2ccccc2)cc1O ZINC000788469693 699316782 /nfs/dbraw/zinc/31/67/82/699316782.db2.gz RMHWCOCVLQRVNE-ZDUSSCGKSA-N 0 2 301.302 1.958 20 30 DDEDLN N#C[C@@H](C(=O)[C@@H]1CCCN(C(N)=O)C1)c1cnc2ccccc2n1 ZINC000792114679 699676317 /nfs/dbraw/zinc/67/63/17/699676317.db2.gz LCOGPPKMEVSKFC-VXGBXAGGSA-N 0 2 323.356 1.597 20 30 DDEDLN Cc1cc(=O)nc(NN=C2CC[C@@H](C)C[C@H]2n2cncn2)[nH]1 ZINC000794448655 699810420 /nfs/dbraw/zinc/81/04/20/699810420.db2.gz RFJMQCCORZSHOY-BXKDBHETSA-N 0 2 301.354 1.911 20 30 DDEDLN Cc1cc(=O)[nH]c(N=NC2CC[C@@H](C)C[C@H]2n2cncn2)n1 ZINC000794448655 699810423 /nfs/dbraw/zinc/81/04/23/699810423.db2.gz RFJMQCCORZSHOY-BXKDBHETSA-N 0 2 301.354 1.911 20 30 DDEDLN COC(=O)c1c(C)[nH]nc1S(=O)(=O)Oc1ccccc1C#N ZINC000750951426 700260396 /nfs/dbraw/zinc/26/03/96/700260396.db2.gz CFQFENSTTIGANE-UHFFFAOYSA-N 0 2 321.314 1.144 20 30 DDEDLN COC[C@H](C#N)OC(=O)c1nn(-c2ccccc2F)cc1O ZINC000801378818 700302132 /nfs/dbraw/zinc/30/21/32/700302132.db2.gz PMGULCDGJOXVSE-VIFPVBQESA-N 0 2 305.265 1.412 20 30 DDEDLN N#Cc1ccc2c(c1)N(C(=O)CC1SC(=N)NC1=O)CC2 ZINC000757545843 700663768 /nfs/dbraw/zinc/66/37/68/700663768.db2.gz ZPIMCBJVVRXEIQ-LLVKDONJSA-N 0 2 300.343 1.004 20 30 DDEDLN CCN(CCC#N)C(=O)COC(=O)c1cc(F)c(O)c(F)c1 ZINC000759545311 700757868 /nfs/dbraw/zinc/75/78/68/700757868.db2.gz IQQBQSUBLFVBLP-UHFFFAOYSA-N 0 2 312.272 1.589 20 30 DDEDLN O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000811224284 701938762 /nfs/dbraw/zinc/93/87/62/701938762.db2.gz FTKLHJSNXWCITI-NTSWFWBYSA-N 0 2 324.196 1.414 20 30 DDEDLN O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000811224284 701938765 /nfs/dbraw/zinc/93/87/65/701938765.db2.gz FTKLHJSNXWCITI-NTSWFWBYSA-N 0 2 324.196 1.414 20 30 DDEDLN N#CC(C(=O)[C@H]1CCCN1C(=O)C(F)(F)F)c1ccncn1 ZINC000816019277 701992379 /nfs/dbraw/zinc/99/23/79/701992379.db2.gz FXNCJBLPPLGISO-PSASIEDQSA-N 0 2 312.251 1.206 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000870244308 703971348 /nfs/dbraw/zinc/97/13/48/703971348.db2.gz XDASHLURKOCLSE-XQQFMLRXSA-N 0 2 301.346 1.374 20 30 DDEDLN C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[C@H]1SC(=N)NC1=O ZINC000819736700 704166749 /nfs/dbraw/zinc/16/67/49/704166749.db2.gz NLAAACXBUJPGOF-BXKDBHETSA-N 0 2 316.386 1.634 20 30 DDEDLN CC(C)(C(=O)NCCc1n[nH]c(=S)o1)c1ccc(C#N)cc1 ZINC000860922457 705320405 /nfs/dbraw/zinc/32/04/05/705320405.db2.gz SCENXSACJAVDRO-UHFFFAOYSA-N 0 2 316.386 1.866 20 30 DDEDLN N#CC1CN(C(=O)c2ccc(CNC(=O)C(F)(F)F)o2)C1 ZINC000861825927 705578791 /nfs/dbraw/zinc/57/87/91/705578791.db2.gz AJDHGVBJWVIRBI-UHFFFAOYSA-N 0 2 301.224 1.054 20 30 DDEDLN O=C1[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)CCN1C1CCC1 ZINC000864347623 706143613 /nfs/dbraw/zinc/14/36/13/706143613.db2.gz UZBLSGFRIWTXFD-WFSQQTBHSA-N 0 2 303.318 1.873 20 30 DDEDLN N#Cc1ccc(OCC(=O)CCNC(=O)C(F)(F)F)cc1F ZINC000865356138 706411766 /nfs/dbraw/zinc/41/17/66/706411766.db2.gz BVVGCIKUPGTXIN-UHFFFAOYSA-N 0 2 318.226 1.714 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC000835234988 707201215 /nfs/dbraw/zinc/20/12/15/707201215.db2.gz LRRDANMCHMEKFE-UKRRQHHQSA-N 0 2 322.368 1.838 20 30 DDEDLN C#CCCCCCCOC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000835710585 707309452 /nfs/dbraw/zinc/30/94/52/707309452.db2.gz KMJFLSREZAATJT-UHFFFAOYSA-N 0 2 302.334 1.198 20 30 DDEDLN C=CCC[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(=O)[O-] ZINC000909716114 709594137 /nfs/dbraw/zinc/59/41/37/709594137.db2.gz PQZBPNQRPMULIM-GWCFXTLKSA-N 0 2 306.366 1.326 20 30 DDEDLN C=CCC[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(=O)[O-] ZINC000909716114 709594140 /nfs/dbraw/zinc/59/41/40/709594140.db2.gz PQZBPNQRPMULIM-GWCFXTLKSA-N 0 2 306.366 1.326 20 30 DDEDLN C=C(C)C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(=O)[O-] ZINC000910293158 709871446 /nfs/dbraw/zinc/87/14/46/709871446.db2.gz UXLLUJLSODYQIG-OLZOCXBDSA-N 0 2 306.366 1.326 20 30 DDEDLN C=C(C)C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(=O)[O-] ZINC000910293158 709871450 /nfs/dbraw/zinc/87/14/50/709871450.db2.gz UXLLUJLSODYQIG-OLZOCXBDSA-N 0 2 306.366 1.326 20 30 DDEDLN CC[C@@H](C#N)NS(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000906060435 712233998 /nfs/dbraw/zinc/23/39/98/712233998.db2.gz JECQSEDATDMWND-YPMLDQLKSA-N 0 2 307.441 1.553 20 30 DDEDLN C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000968925439 719875048 /nfs/dbraw/zinc/87/50/48/719875048.db2.gz DHMWURZFWOIBRK-CVEARBPZSA-N 0 2 316.449 1.992 20 30 DDEDLN C=CCC1(S(=O)(=O)Nc2c(C)noc2C(=O)OC)CC1 ZINC001190773101 745325491 /nfs/dbraw/zinc/32/54/91/745325491.db2.gz SDECLHACABSOEF-UHFFFAOYSA-N 0 2 300.336 1.620 20 30 DDEDLN C=CCC1(S(=O)(=O)Nc2ncnc3c2ncn3CC)CC1 ZINC001190774111 745326340 /nfs/dbraw/zinc/32/63/40/745326340.db2.gz XOUPUPIZMWVKIW-UHFFFAOYSA-N 0 2 307.379 1.697 20 30 DDEDLN CCOC(=O)C(C)(C)S(=O)(=O)Nc1cnc(C#N)c(C)c1 ZINC001193024318 745962763 /nfs/dbraw/zinc/96/27/63/745962763.db2.gz IUUROBQBOGXKNF-UHFFFAOYSA-N 0 2 311.363 1.345 20 30 DDEDLN N#Cc1cccc(NS(=O)(=O)c2ccc3nccnc3c2)n1 ZINC001198112393 747384017 /nfs/dbraw/zinc/38/40/17/747384017.db2.gz URJKELLDRVLDEE-UHFFFAOYSA-N 0 2 311.326 1.697 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cnn(C)c2C#N)c(C)c1 ZINC001198912376 747648756 /nfs/dbraw/zinc/64/87/56/747648756.db2.gz RTDAHMKHOWOIEZ-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN N#CCNC1C[C@H]2CCC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC001039276814 761905746 /nfs/dbraw/zinc/90/57/46/761905746.db2.gz XJCIQIJTNRJIAD-GYIHNLGQSA-N 0 2 307.291 1.912 20 30 DDEDLN N#CCNC1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](F)C(F)(F)F ZINC001039276814 761905753 /nfs/dbraw/zinc/90/57/53/761905753.db2.gz XJCIQIJTNRJIAD-GYIHNLGQSA-N 0 2 307.291 1.912 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001110933866 750240512 /nfs/dbraw/zinc/24/05/12/750240512.db2.gz SYMZYQUNEPITOM-LOWDOPEQSA-N 0 2 319.409 1.334 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001110933866 750240517 /nfs/dbraw/zinc/24/05/17/750240517.db2.gz SYMZYQUNEPITOM-LOWDOPEQSA-N 0 2 319.409 1.334 20 30 DDEDLN N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)C(F)C(F)(F)F)C2)cn1 ZINC001097258688 757025893 /nfs/dbraw/zinc/02/58/93/757025893.db2.gz YKTDCOOJLXMUMA-PJKMHFRUSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1cnc(N[C@H]2C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C2)cn1 ZINC001097258688 757025900 /nfs/dbraw/zinc/02/59/00/757025900.db2.gz YKTDCOOJLXMUMA-PJKMHFRUSA-N 0 2 317.246 1.308 20 30 DDEDLN CC#CC[NH+]1CCC(C2(NC(=O)c3n[nH]c(C)c3[O-])CC2)CC1 ZINC001000123535 761524359 /nfs/dbraw/zinc/52/43/59/761524359.db2.gz NYDURTHGAPBTLA-UHFFFAOYSA-N 0 2 316.405 1.421 20 30 DDEDLN C[C@@H](CNc1ncc(C#N)cc1F)NC(=O)C(F)C(F)(F)F ZINC001108739546 762897184 /nfs/dbraw/zinc/89/71/84/762897184.db2.gz HFMQOJNFMQFZPL-RCOVLWMOSA-N 0 2 322.237 1.909 20 30 DDEDLN C[C@@H](CNc1ncc(C#N)cc1F)NC(=O)[C@H](F)C(F)(F)F ZINC001108739546 762897193 /nfs/dbraw/zinc/89/71/93/762897193.db2.gz HFMQOJNFMQFZPL-RCOVLWMOSA-N 0 2 322.237 1.909 20 30 DDEDLN C[C@H](CN(C)c1ncccc1C#N)NC(=O)C(F)C(F)(F)F ZINC001109274418 763536638 /nfs/dbraw/zinc/53/66/38/763536638.db2.gz DZEAFGWLSUGDIU-SCZZXKLOSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CN(C)c1ncccc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001109274418 763536646 /nfs/dbraw/zinc/53/66/46/763536646.db2.gz DZEAFGWLSUGDIU-SCZZXKLOSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@]1(NC(=O)c2cn[nH]n2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001046439552 767570906 /nfs/dbraw/zinc/57/09/06/767570906.db2.gz VNSDSAHXDPROSW-CQSZACIVSA-N 0 2 316.390 1.132 20 30 DDEDLN C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001131972716 768518333 /nfs/dbraw/zinc/51/83/33/768518333.db2.gz USSSANUZKCSODQ-QWHCGFSZSA-N 0 2 319.409 1.173 20 30 DDEDLN C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001131972716 768518338 /nfs/dbraw/zinc/51/83/38/768518338.db2.gz USSSANUZKCSODQ-QWHCGFSZSA-N 0 2 319.409 1.173 20 30 DDEDLN C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132072773 768606656 /nfs/dbraw/zinc/60/66/56/768606656.db2.gz OJZNEDUEKKEAPH-NEPJUHHUSA-N 0 2 307.398 1.336 20 30 DDEDLN C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132072773 768606662 /nfs/dbraw/zinc/60/66/62/768606662.db2.gz OJZNEDUEKKEAPH-NEPJUHHUSA-N 0 2 307.398 1.336 20 30 DDEDLN C[C@H](CCNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001099742800 775211830 /nfs/dbraw/zinc/21/18/30/775211830.db2.gz ZWCUMQLTQNWRMY-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNC(=O)[C@@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001099742800 775211833 /nfs/dbraw/zinc/21/18/33/775211833.db2.gz ZWCUMQLTQNWRMY-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN N#Cc1cnc(NCCNC(=O)C(F)C(F)(F)F)c(F)c1 ZINC001094182955 775522997 /nfs/dbraw/zinc/52/29/97/775522997.db2.gz VTOITNIIQLYPNS-QMMMGPOBSA-N 0 2 308.210 1.521 20 30 DDEDLN N#Cc1cnc(NCCNC(=O)[C@H](F)C(F)(F)F)c(F)c1 ZINC001094182955 775523003 /nfs/dbraw/zinc/52/30/03/775523003.db2.gz VTOITNIIQLYPNS-QMMMGPOBSA-N 0 2 308.210 1.521 20 30 DDEDLN Cc1ccc(C#N)c(N(C)CCNC(=O)C(F)C(F)(F)F)n1 ZINC001100366949 776059078 /nfs/dbraw/zinc/05/90/78/776059078.db2.gz NINDCUQWFJZMQZ-JTQLQIEISA-N 0 2 318.274 1.715 20 30 DDEDLN Cc1ccc(C#N)c(N(C)CCNC(=O)[C@H](F)C(F)(F)F)n1 ZINC001100366949 776059082 /nfs/dbraw/zinc/05/90/82/776059082.db2.gz NINDCUQWFJZMQZ-JTQLQIEISA-N 0 2 318.274 1.715 20 30 DDEDLN CN(CC#N)CCC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001271772025 844099609 /nfs/dbraw/zinc/09/96/09/844099609.db2.gz HWBMOZJGBCSOGA-NSHDSACASA-N 0 2 309.307 1.971 20 30 DDEDLN CN(CC#N)CCC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001271772025 844099618 /nfs/dbraw/zinc/09/96/18/844099618.db2.gz HWBMOZJGBCSOGA-NSHDSACASA-N 0 2 309.307 1.971 20 30 DDEDLN C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](c1cccnc1)[NH+](C)C ZINC001157153273 863614493 /nfs/dbraw/zinc/61/44/93/863614493.db2.gz GNWPAUUXLSHZHI-ZBFHGGJFSA-N 0 2 302.422 1.144 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N(C[C@@H](C)O)C1CC1 ZINC001340595305 871219806 /nfs/dbraw/zinc/21/98/06/871219806.db2.gz XWSCIKREXZNPKB-MRVPVSSYSA-N 0 2 323.788 1.252 20 30 DDEDLN N#CCOc1ccc(CC(=O)NCCc2n[nH]c(=S)o2)cc1 ZINC001343004394 872465529 /nfs/dbraw/zinc/46/55/29/872465529.db2.gz HRFKLONQHMLNKA-UHFFFAOYSA-N 0 2 318.358 1.162 20 30 DDEDLN Cn1ccnc1C(=O)[C@@H](C#N)C(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC001343349657 872590585 /nfs/dbraw/zinc/59/05/85/872590585.db2.gz HBVOWDWXUWJSSJ-NSHDSACASA-N 0 2 310.313 1.603 20 30 DDEDLN C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208392743 874102948 /nfs/dbraw/zinc/10/29/48/874102948.db2.gz CQVPNRUVLCJBAI-IJLUTSLNSA-N 0 2 307.398 1.049 20 30 DDEDLN C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208392743 874102955 /nfs/dbraw/zinc/10/29/55/874102955.db2.gz CQVPNRUVLCJBAI-IJLUTSLNSA-N 0 2 307.398 1.049 20 30 DDEDLN C#C[C@H](CCC)Oc1nc(I)cc(=O)[nH]1 ZINC001228946547 883741978 /nfs/dbraw/zinc/74/19/78/883741978.db2.gz LYCZKPIPGGACLA-SSDOTTSWSA-N 0 2 318.114 1.968 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001229048437 883790788 /nfs/dbraw/zinc/79/07/88/883790788.db2.gz DQILHVZQYSLMBR-HNNXBMFYSA-N 0 2 307.398 1.193 20 30 DDEDLN C[C@H](NC(=O)COc1ccc(C#N)cc1)c1nn(C)cc1O ZINC001364398932 888546186 /nfs/dbraw/zinc/54/61/86/888546186.db2.gz SIDHUTAFEIKETP-JTQLQIEISA-N 0 2 300.318 1.254 20 30 DDEDLN N#Cc1cccc(NC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)n1 ZINC001364399762 888549387 /nfs/dbraw/zinc/54/93/87/888549387.db2.gz NJCJYNLGRSZEJC-VIFPVBQESA-N 0 2 313.321 1.188 20 30 DDEDLN N#Cc1c[nH]c(=O)n(CCOc2ccc(Cl)c(F)c2)c1=O ZINC001364616920 889043932 /nfs/dbraw/zinc/04/39/32/889043932.db2.gz RZXCXTLJXGAJOI-UHFFFAOYSA-N 0 2 309.684 1.280 20 30 DDEDLN CC[C@@H](C)n1ncc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)c1C ZINC001365227468 890393721 /nfs/dbraw/zinc/39/37/21/890393721.db2.gz NIEAPLDXJBRMBD-MRVPVSSYSA-N 0 2 302.338 1.165 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2)CCC1=O ZINC001259088657 898461395 /nfs/dbraw/zinc/46/13/95/898461395.db2.gz PKEUWBBZCXMUKX-MRVPVSSYSA-N 0 2 300.286 1.068 20 30 DDEDLN CSc1ncc(NS(=O)(=O)c2cccc(C#N)c2)cn1 ZINC001259118976 898477988 /nfs/dbraw/zinc/47/79/88/898477988.db2.gz ZTIGKXJCAXDLLG-UHFFFAOYSA-N 0 2 306.372 1.871 20 30 DDEDLN Cn1cnc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1C#N ZINC001259236079 898541654 /nfs/dbraw/zinc/54/16/54/898541654.db2.gz BZBAJHUYDUHZGW-UHFFFAOYSA-N 0 2 310.766 1.887 20 30 DDEDLN C#CCCCCC(=O)N1CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001285862921 911324877 /nfs/dbraw/zinc/32/48/77/911324877.db2.gz PAGOLJVJIYDZOW-CMPLNLGQSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCCC(=O)N1CC[C@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001285862921 911324898 /nfs/dbraw/zinc/32/48/98/911324898.db2.gz PAGOLJVJIYDZOW-CMPLNLGQSA-N 0 2 322.302 1.798 20 30 DDEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)C[C@@H]1CCCO1 ZINC000172367323 198086402 /nfs/dbraw/zinc/08/64/02/198086402.db2.gz UNLPNHNWVFVVBI-LBPRGKRZSA-N 0 2 310.375 1.878 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)nc1 ZINC000589975593 355036070 /nfs/dbraw/zinc/03/60/70/355036070.db2.gz YGHHYIKUIHKQFJ-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N(CCC#N)C(C)C)c1 ZINC000591758249 355378569 /nfs/dbraw/zinc/37/85/69/355378569.db2.gz LGCVLGGYMIYCFR-OAQYLSRUSA-N 0 2 308.403 1.953 20 30 DDEDLN Cc1c(NS(=O)(=O)c2ccc(C#N)nc2)[nH]nc1C(C)C ZINC000592385235 355573201 /nfs/dbraw/zinc/57/32/01/355573201.db2.gz VJFZNXGWJAFYQT-UHFFFAOYSA-N 0 2 305.363 1.909 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)COCC2CC2)cc1C#N ZINC000593859718 356026118 /nfs/dbraw/zinc/02/61/18/356026118.db2.gz ZFGUYBBCTRSDPQ-VIFPVBQESA-N 0 2 321.402 1.926 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CO[C@H](C3CC3)C2)cc1C#N ZINC000600518472 358247342 /nfs/dbraw/zinc/24/73/42/358247342.db2.gz GSVDDTMRMAXFPP-JQWIXIFHSA-N 0 2 319.386 1.678 20 30 DDEDLN CC(C)[C@H](C#N)N1CCN(C(=O)c2c(O)cc(F)cc2F)CC1 ZINC000611280116 360687912 /nfs/dbraw/zinc/68/79/12/360687912.db2.gz TXVZPEUZSLNRLL-ZDUSSCGKSA-N 0 2 323.343 1.976 20 30 DDEDLN CC(C)CCc1nnc(NS(=O)(=O)c2ccc(C#N)o2)o1 ZINC000288587257 220263282 /nfs/dbraw/zinc/26/32/82/220263282.db2.gz MOBAYYOUQMHZPI-UHFFFAOYSA-N 0 2 310.335 1.924 20 30 DDEDLN COCCO[NH+]=C(N)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000170982857 407568736 /nfs/dbraw/zinc/56/87/36/407568736.db2.gz SOPXOYOSWLOIBU-UHFFFAOYSA-N 0 2 320.437 1.130 20 30 DDEDLN N#Cc1ccc(NC(=O)CC2S/C(=N/C3CC3)NC2=O)cc1 ZINC000102936383 407328959 /nfs/dbraw/zinc/32/89/59/407328959.db2.gz VCELGBWQLLEKJN-LBPRGKRZSA-N 0 2 314.370 1.637 20 30 DDEDLN N#Cc1ccc(NC(=O)C[C@@H]2S/C(=N/C3CC3)NC2=O)cc1 ZINC000102936383 407328961 /nfs/dbraw/zinc/32/89/61/407328961.db2.gz VCELGBWQLLEKJN-LBPRGKRZSA-N 0 2 314.370 1.637 20 30 DDEDLN C=CC[C@@H](CO)NC(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000185810294 407509373 /nfs/dbraw/zinc/50/93/73/407509373.db2.gz WVVAYWMCFOSHSH-LBPRGKRZSA-N 0 2 319.336 1.692 20 30 DDEDLN CC[C@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)[C@@H]1CCCO1 ZINC000152536008 407650233 /nfs/dbraw/zinc/65/02/33/407650233.db2.gz DJMIACJUCMMXTL-RYUDHWBXSA-N 0 2 321.402 1.656 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccn(CCC#N)n1 ZINC000117741000 407852942 /nfs/dbraw/zinc/85/29/42/407852942.db2.gz SHEIILGQKGGTLW-UHFFFAOYSA-N 0 2 315.358 1.778 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](C#N)C(C)C)=N2)cc1 ZINC000272447571 407926026 /nfs/dbraw/zinc/92/60/26/407926026.db2.gz NCYSMOQCYJEUCR-CYBMUJFWSA-N 0 2 314.345 1.864 20 30 DDEDLN N#Cc1nc(NC(=O)CCc2nc(-c3ccoc3)no2)[nH]c1C#N ZINC000154960656 408109174 /nfs/dbraw/zinc/10/91/74/408109174.db2.gz UHZRENDREWXTLY-UHFFFAOYSA-N 0 2 323.272 1.367 20 30 DDEDLN COc1cc(S(=O)(=O)Nc2ccc(C#N)cn2)ccc1F ZINC000190984375 408353444 /nfs/dbraw/zinc/35/34/44/408353444.db2.gz IURDAQJFXUDWHN-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN C=C(C)COCCNC(=O)C1=NN(c2ccccc2)CC1=O ZINC000162334563 408691526 /nfs/dbraw/zinc/69/15/26/408691526.db2.gz WYEDBGIBQAHLPJ-UHFFFAOYSA-N 0 2 301.346 1.900 20 30 DDEDLN N#Cc1ccc(N2CCC[C@@H](Sc3n[nH]c(=O)[nH]3)C2=O)cc1 ZINC000189437771 163100784 /nfs/dbraw/zinc/10/07/84/163100784.db2.gz WROGCTNLCXPPGJ-LLVKDONJSA-N 0 2 315.358 1.670 20 30 DDEDLN CCc1ccc([C@@H](C#N)NC(=O)CSc2n[nH]c(=O)[nH]2)cc1 ZINC000293276112 409081263 /nfs/dbraw/zinc/08/12/63/409081263.db2.gz HOQUUMQUHZRJLD-LLVKDONJSA-N 0 2 317.374 1.134 20 30 DDEDLN COc1ccc(O)c(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000319997069 164040506 /nfs/dbraw/zinc/04/05/06/164040506.db2.gz UHOZFKZTUBRLSD-UHFFFAOYSA-N 0 2 319.342 1.777 20 30 DDEDLN CO[C@@H]1CCCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000341969671 409531191 /nfs/dbraw/zinc/53/11/91/409531191.db2.gz NNGHKWXTYNFGLP-SNVBAGLBSA-N 0 2 307.375 1.632 20 30 DDEDLN Cc1nc(SCC(=O)N=c2cccn[nH]2)c(C#N)c(C)c1C ZINC000346037474 409739688 /nfs/dbraw/zinc/73/96/88/409739688.db2.gz LEABHZXKBOJJAA-UHFFFAOYSA-N 0 2 313.386 2.399 20 30 DDEDLN Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)c2n[nH]cc21 ZINC000357137008 409898382 /nfs/dbraw/zinc/89/83/82/409898382.db2.gz VPYNANGFWHWCOG-UHFFFAOYSA-N 0 2 313.342 1.939 20 30 DDEDLN CCn1cc(S(=O)(=O)Nc2cc(C#N)ccc2NC)cn1 ZINC000350971822 410022501 /nfs/dbraw/zinc/02/25/01/410022501.db2.gz OJCUBUJEZNJVOW-UHFFFAOYSA-N 0 2 305.363 1.617 20 30 DDEDLN COc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)c1O ZINC000351745938 410204635 /nfs/dbraw/zinc/20/46/35/410204635.db2.gz CWDQBABTLLDUSN-UHFFFAOYSA-N 0 2 305.315 1.468 20 30 DDEDLN COCc1ccccc1S(=O)(=O)Nc1ccn(CCC#N)n1 ZINC000351825929 410268188 /nfs/dbraw/zinc/26/81/88/410268188.db2.gz CBLKWYRIVVZMIG-UHFFFAOYSA-N 0 2 320.374 1.744 20 30 DDEDLN N#C[C@H](C(=O)c1cc2n(n1)CCO2)c1cnc2ccccc2n1 ZINC000355403441 410496647 /nfs/dbraw/zinc/49/66/47/410496647.db2.gz JVIANNGBZHXDLV-JTQLQIEISA-N 0 2 305.297 1.709 20 30 DDEDLN N#CC(C(=O)c1cc2n(n1)CCO2)c1cnc2ccccc2n1 ZINC000355403441 410496653 /nfs/dbraw/zinc/49/66/53/410496653.db2.gz JVIANNGBZHXDLV-JTQLQIEISA-N 0 2 305.297 1.709 20 30 DDEDLN CC/N=C1/S[C@H](CC(=O)NCC(F)(F)F)C(=O)N1CC ZINC000195216043 222195238 /nfs/dbraw/zinc/19/52/38/222195238.db2.gz ZXGBWMQSCQVPBL-COIIMBDISA-N 0 2 311.329 1.395 20 30 DDEDLN COc1cncc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)n1 ZINC000361193281 418602205 /nfs/dbraw/zinc/60/22/05/418602205.db2.gz BSMREJJKILCDHU-SNVBAGLBSA-N 0 2 312.333 1.293 20 30 DDEDLN COc1cncc(C(=O)C(C#N)c2nnc3n2CCCCC3)n1 ZINC000361193281 418602208 /nfs/dbraw/zinc/60/22/08/418602208.db2.gz BSMREJJKILCDHU-SNVBAGLBSA-N 0 2 312.333 1.293 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)nc1 ZINC000337757189 418619806 /nfs/dbraw/zinc/61/98/06/418619806.db2.gz IIHGVTIVQLVZRV-UHFFFAOYSA-N 0 2 310.338 2.302 20 30 DDEDLN C=CCC[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)OCC ZINC000456603729 420512510 /nfs/dbraw/zinc/51/25/10/420512510.db2.gz IXPMBGYCGYNPAW-LBPRGKRZSA-N 0 2 322.317 1.928 20 30 DDEDLN N#Cc1cccc(C=CC(=O)NCCc2n[nH]c(=S)o2)c1 ZINC000492678993 420626886 /nfs/dbraw/zinc/62/68/86/420626886.db2.gz LJGKRWAQNRNAIA-PLNGDYQASA-N 0 2 300.343 1.602 20 30 DDEDLN N#Cc1cccc(C=CC(=O)NCCC2N=NC(=S)O2)c1 ZINC000492678993 420626888 /nfs/dbraw/zinc/62/68/88/420626888.db2.gz LJGKRWAQNRNAIA-PLNGDYQASA-N 0 2 300.343 1.602 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)/C=C\C2CCCCC2)c1 ZINC000493342067 420824189 /nfs/dbraw/zinc/82/41/89/420824189.db2.gz XLFHIBUQEWNCPZ-SREVYHEPSA-N 0 2 319.386 1.895 20 30 DDEDLN N#CCc1cccc(S(=O)(=O)Nc2cc3ccccn3n2)c1 ZINC000589594253 422317599 /nfs/dbraw/zinc/31/75/99/422317599.db2.gz ODCRXGJUFPDDCQ-UHFFFAOYSA-N 0 2 312.354 2.201 20 30 DDEDLN CC(C)n1cc(C#N)c(NS(=O)(=O)N2CCC[C@H](C)C2)n1 ZINC000164006482 265940725 /nfs/dbraw/zinc/94/07/25/265940725.db2.gz BFTPEXIEZBOWBH-NSHDSACASA-N 0 2 311.411 1.724 20 30 DDEDLN N#Cc1nc(NC(=O)Cc2cc(F)c(F)cc2F)[nH]c1C#N ZINC000134911320 281563980 /nfs/dbraw/zinc/56/39/80/281563980.db2.gz FPRVRAWIDOXDOV-UHFFFAOYSA-N 0 2 305.219 1.752 20 30 DDEDLN CCCc1nnc(NS(=O)(=O)c2ccc(C#N)cc2F)o1 ZINC000570009670 308156219 /nfs/dbraw/zinc/15/62/19/308156219.db2.gz MTEQQZRZJRYXQW-UHFFFAOYSA-N 0 2 310.310 1.834 20 30 DDEDLN CC(C)OC(=O)c1ccc(Cn2c(=O)[nH]cc(C#N)c2=O)cc1 ZINC000582180563 325985225 /nfs/dbraw/zinc/98/52/25/325985225.db2.gz DUUSNTMFRLFKMB-UHFFFAOYSA-N 0 2 313.313 1.022 20 30 DDEDLN C=CCCn1cc(C(=O)N=c2nc(C(C)(C)C)[nH]s2)nn1 ZINC000424648148 527520348 /nfs/dbraw/zinc/52/03/48/527520348.db2.gz VVQNJSWFSNRUCJ-UHFFFAOYSA-N 0 2 306.395 1.677 20 30 DDEDLN COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000818500364 597082671 /nfs/dbraw/zinc/08/26/71/597082671.db2.gz DUGIAEJMKHZRHA-CZUORRHYSA-N 0 2 316.357 1.959 20 30 DDEDLN COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000818500364 597082674 /nfs/dbraw/zinc/08/26/74/597082674.db2.gz DUGIAEJMKHZRHA-CZUORRHYSA-N 0 2 316.357 1.959 20 30 DDEDLN C/C(=C\C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)[O-] ZINC000825747137 601156491 /nfs/dbraw/zinc/15/64/91/601156491.db2.gz PVBFAAIGSGONRT-NYYWCZLTSA-N 0 2 316.361 1.577 20 30 DDEDLN C[C@@]1(C(=O)[O-])CCN(c2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000828035283 601864702 /nfs/dbraw/zinc/86/47/02/601864702.db2.gz KTOXCVADKZRRGW-CQSZACIVSA-N 0 2 300.322 1.041 20 30 DDEDLN C=CCOc1ccc(C[NH+]2CC(n3cc(C(=O)[O-])nn3)C2)cc1 ZINC000833377968 605555307 /nfs/dbraw/zinc/55/53/07/605555307.db2.gz STLPLFSCGXRHCF-UHFFFAOYSA-N 0 2 314.345 1.598 20 30 DDEDLN N#Cc1ccc(C[NH+]2CCN([C@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000833971286 605581342 /nfs/dbraw/zinc/58/13/42/605581342.db2.gz CWLSQKXJXIIOBX-INIZCTEOSA-N 0 2 314.389 1.428 20 30 DDEDLN C[C@@H](OCc1ccccc1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000122939638 696727036 /nfs/dbraw/zinc/72/70/36/696727036.db2.gz AEXHWVLOVHNSSB-OCCSQVGLSA-N 0 2 311.341 1.917 20 30 DDEDLN C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1 ZINC000973049053 695404867 /nfs/dbraw/zinc/40/48/67/695404867.db2.gz XBIOIWUPFDDCHS-SNVBAGLBSA-N 0 2 312.801 1.616 20 30 DDEDLN C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1 ZINC000973049053 695404868 /nfs/dbraw/zinc/40/48/68/695404868.db2.gz XBIOIWUPFDDCHS-SNVBAGLBSA-N 0 2 312.801 1.616 20 30 DDEDLN CC(C)[C@H](C#N)OC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000176031386 697400204 /nfs/dbraw/zinc/40/02/04/697400204.db2.gz NXMYDEXEFIHGFS-LBPRGKRZSA-N 0 2 317.370 1.927 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CCCCc3cn[nH]n3)nc21 ZINC000774111844 697845197 /nfs/dbraw/zinc/84/51/97/697845197.db2.gz NIUAUTFQEDFASM-LBPRGKRZSA-N 0 2 323.360 1.974 20 30 DDEDLN CCC/N=C1/NC(=O)C(CC(=O)Nc2cccc(O)c2)S1 ZINC000731357814 699527519 /nfs/dbraw/zinc/52/75/19/699527519.db2.gz QRHDXWMKXYFICG-NSHDSACASA-N 0 2 307.375 1.718 20 30 DDEDLN N#C[C@H](C(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cnc2ccccc2n1 ZINC000792108125 699675770 /nfs/dbraw/zinc/67/57/70/699675770.db2.gz IJJKDWVIYJWUEZ-AAEUAGOBSA-N 0 2 320.352 1.817 20 30 DDEDLN N#C[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000742646185 699885048 /nfs/dbraw/zinc/88/50/48/699885048.db2.gz IPVLVCORXPFHDX-ZJUUUORDSA-N 0 2 322.777 1.577 20 30 DDEDLN N#CC(C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccncn1 ZINC000760342742 700803412 /nfs/dbraw/zinc/80/34/12/700803412.db2.gz YXTIARUBLMPSOE-ZIAGYGMSSA-N 0 2 324.315 1.845 20 30 DDEDLN CCCCCC/N=C1/NC(=O)[C@@H](CC(=O)NCCCO)S1 ZINC000840700587 702214652 /nfs/dbraw/zinc/21/46/52/702214652.db2.gz DSNXDIKCJGWMHD-LLVKDONJSA-N 0 2 315.439 1.043 20 30 DDEDLN Cc1nsc(N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1C#N ZINC000866284813 706664705 /nfs/dbraw/zinc/66/47/05/706664705.db2.gz SUURWPHEPPJDEM-LLVKDONJSA-N 0 2 318.324 1.971 20 30 DDEDLN N#C[C@H](C(=O)CCn1cnccc1=O)c1nc(C2CC2)cs1 ZINC000842941445 702792486 /nfs/dbraw/zinc/79/24/86/702792486.db2.gz BDHHYYJALOUXMH-LLVKDONJSA-N 0 2 314.370 1.844 20 30 DDEDLN CCc1noc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000820801088 704332837 /nfs/dbraw/zinc/33/28/37/704332837.db2.gz VSPFSKXCIKXROS-UHFFFAOYSA-N 0 2 312.738 1.958 20 30 DDEDLN CC(C)(C#N)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000859293748 704852461 /nfs/dbraw/zinc/85/24/61/704852461.db2.gz COMTYKWPVSIZJX-UHFFFAOYSA-N 0 2 303.240 1.490 20 30 DDEDLN N#Cc1ccc(C2(C(=O)NCc3n[nH]c(=O)[nH]3)CCCC2)cc1 ZINC000859832645 705015526 /nfs/dbraw/zinc/01/55/26/705015526.db2.gz MLNIHZJSRWBWCE-UHFFFAOYSA-N 0 2 311.345 1.510 20 30 DDEDLN C=CCONC(=O)CSCc1cc(=O)n2ccsc2n1 ZINC000837043173 707569754 /nfs/dbraw/zinc/56/97/54/707569754.db2.gz MPLNFKWQGHTSJF-UHFFFAOYSA-N 0 2 311.388 1.223 20 30 DDEDLN C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1OC ZINC000901934215 710178660 /nfs/dbraw/zinc/17/86/60/710178660.db2.gz QOBRHYAPDVKJRH-WBMJQRKESA-N 0 2 321.373 1.934 20 30 DDEDLN C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)cc1OC ZINC000901934215 710178662 /nfs/dbraw/zinc/17/86/62/710178662.db2.gz QOBRHYAPDVKJRH-WBMJQRKESA-N 0 2 321.373 1.934 20 30 DDEDLN C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000969022659 719928373 /nfs/dbraw/zinc/92/83/73/719928373.db2.gz GWVJCCPZWSCVHF-CABCVRRESA-N 0 2 314.433 1.824 20 30 DDEDLN C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[nH]1 ZINC001029453815 740825637 /nfs/dbraw/zinc/82/56/37/740825637.db2.gz LJLNJAFQEGOREV-BFQNTYOBSA-N 0 2 319.409 1.288 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CC[C@H]2C[C@H]2C1 ZINC001121497440 782537034 /nfs/dbraw/zinc/53/70/34/782537034.db2.gz RQAWXDLUKWHDJD-RYUDHWBXSA-N 0 2 314.393 1.899 20 30 DDEDLN C#CCCCC(=O)N[C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001076856981 743053240 /nfs/dbraw/zinc/05/32/40/743053240.db2.gz ICFNSGOKNVTEHQ-ONGXEEELSA-N 0 2 310.291 1.701 20 30 DDEDLN C#CCCCC(=O)N[C@@H](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001076856981 743053246 /nfs/dbraw/zinc/05/32/46/743053246.db2.gz ICFNSGOKNVTEHQ-ONGXEEELSA-N 0 2 310.291 1.701 20 30 DDEDLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001076857591 743053832 /nfs/dbraw/zinc/05/38/32/743053832.db2.gz UBJUYFDSHPXYTF-ONGXEEELSA-N 0 2 324.318 1.947 20 30 DDEDLN C[C@@H](CCNC(=O)[C@H](F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001076857591 743053839 /nfs/dbraw/zinc/05/38/39/743053839.db2.gz UBJUYFDSHPXYTF-ONGXEEELSA-N 0 2 324.318 1.947 20 30 DDEDLN C[C@@H](C#N)S(=O)(=O)Nc1c(F)cccc1OC1COC1 ZINC001193161832 746003797 /nfs/dbraw/zinc/00/37/97/746003797.db2.gz UIOIOSZRVAABCV-QMMMGPOBSA-N 0 2 300.311 1.257 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ncn[nH]2)CC(C)(C)C1 ZINC001089518193 747148517 /nfs/dbraw/zinc/14/85/17/747148517.db2.gz BQRDTRFINIJARK-NSHDSACASA-N 0 2 311.817 1.778 20 30 DDEDLN C=C(Cl)CN1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212304308 747817028 /nfs/dbraw/zinc/81/70/28/747817028.db2.gz VGPKCBOWINTXAN-HLTSFMKQSA-N 0 2 318.698 1.455 20 30 DDEDLN C=C(Cl)CN1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)[C@H](OC)C1 ZINC001212304308 747817032 /nfs/dbraw/zinc/81/70/32/747817032.db2.gz VGPKCBOWINTXAN-HLTSFMKQSA-N 0 2 318.698 1.455 20 30 DDEDLN N#Cc1nccnc1NC/C=C/CNC(=O)C(F)C(F)(F)F ZINC001107560928 750139760 /nfs/dbraw/zinc/13/97/60/750139760.db2.gz FRNOPDCRTUURLJ-VWCDRPFISA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1nccnc1NC/C=C/CNC(=O)[C@H](F)C(F)(F)F ZINC001107560928 750139763 /nfs/dbraw/zinc/13/97/63/750139763.db2.gz FRNOPDCRTUURLJ-VWCDRPFISA-N 0 2 317.246 1.333 20 30 DDEDLN C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC001032415580 750696010 /nfs/dbraw/zinc/69/60/10/750696010.db2.gz BHMCERFGAPYVAG-CIUDSAMLSA-N 0 2 300.683 1.924 20 30 DDEDLN C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)C(F)(F)F ZINC001032415580 750696011 /nfs/dbraw/zinc/69/60/11/750696011.db2.gz BHMCERFGAPYVAG-CIUDSAMLSA-N 0 2 300.683 1.924 20 30 DDEDLN CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001080419920 755908583 /nfs/dbraw/zinc/90/85/83/755908583.db2.gz JXSCLGFJOLTBOY-CBAPKCEASA-N 0 2 309.263 1.106 20 30 DDEDLN CCN(C(=O)[C@@H](C)C#N)C1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001080419920 755908586 /nfs/dbraw/zinc/90/85/86/755908586.db2.gz JXSCLGFJOLTBOY-CBAPKCEASA-N 0 2 309.263 1.106 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001042015342 763567082 /nfs/dbraw/zinc/56/70/82/763567082.db2.gz GOLKOGKPZBZXMA-NWDGAFQWSA-N 0 2 324.812 1.713 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001042015342 763567089 /nfs/dbraw/zinc/56/70/89/763567089.db2.gz GOLKOGKPZBZXMA-NWDGAFQWSA-N 0 2 324.812 1.713 20 30 DDEDLN COC(=O)[C@H](CCC(=O)[O-])[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172303352 776743325 /nfs/dbraw/zinc/74/33/25/776743325.db2.gz XCGZVSNCQBTSPJ-RISCZKNCSA-N 0 2 304.346 1.485 20 30 DDEDLN COc1nnccc1NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC001361480594 881737106 /nfs/dbraw/zinc/73/71/06/881737106.db2.gz GFRUZHQFSSYHKR-UHFFFAOYSA-N 0 2 317.330 1.432 20 30 DDEDLN C=CCC1(C(=O)N(C)CC[N@H+](C)Cc2n[nH]c(=O)[n-]2)CCCC1 ZINC001320095049 866465506 /nfs/dbraw/zinc/46/55/06/866465506.db2.gz HDMIRBYTKVYOQQ-UHFFFAOYSA-N 0 2 321.425 1.537 20 30 DDEDLN C=CCC1(C(=O)N(C)CC[N@@H+](C)Cc2n[nH]c(=O)[n-]2)CCCC1 ZINC001320095049 866465514 /nfs/dbraw/zinc/46/55/14/866465514.db2.gz HDMIRBYTKVYOQQ-UHFFFAOYSA-N 0 2 321.425 1.537 20 30 DDEDLN C=CCCn1cc(C[N@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)nn1 ZINC001334780000 867825698 /nfs/dbraw/zinc/82/56/98/867825698.db2.gz RPLPENNQKMRZDW-GFCCVEGCSA-N 0 2 318.299 1.693 20 30 DDEDLN C=CCCn1cc(C[N@@H+]2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)nn1 ZINC001334780000 867825708 /nfs/dbraw/zinc/82/57/08/867825708.db2.gz RPLPENNQKMRZDW-GFCCVEGCSA-N 0 2 318.299 1.693 20 30 DDEDLN CCOC(=O)C[C@@H](Oc1[nH]c(=O)cc(C)c1C#N)C(=O)OCC ZINC001226220970 882289551 /nfs/dbraw/zinc/28/95/51/882289551.db2.gz DJMKQPAVIGRTDF-LLVKDONJSA-N 0 2 322.317 1.231 20 30 DDEDLN C#CC[C@H]1CCCN(c2nnc(-c3n[nH]c(Cl)n3)n2C)C1 ZINC001338059504 869773975 /nfs/dbraw/zinc/77/39/75/869773975.db2.gz MEACYVADVSKARK-VIFPVBQESA-N 0 2 305.773 1.493 20 30 DDEDLN N#Cc1cncc(Nc2nonc2-c2cn3ccncc3n2)c1 ZINC001210083543 875221635 /nfs/dbraw/zinc/22/16/35/875221635.db2.gz REOCYFYAXGDDHV-UHFFFAOYSA-N 0 2 304.273 1.790 20 30 DDEDLN CCn1ccnc1[C@H](C#N)C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001349703030 875314828 /nfs/dbraw/zinc/31/48/28/875314828.db2.gz UWTKQNQLEQTRNO-CXAGYDPISA-N 0 2 314.389 1.776 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001356767839 879320154 /nfs/dbraw/zinc/32/01/54/879320154.db2.gz VISDWUISUKLEPX-PSASIEDQSA-N 0 2 310.291 1.816 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)N1CC(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001356767839 879320172 /nfs/dbraw/zinc/32/01/72/879320172.db2.gz VISDWUISUKLEPX-PSASIEDQSA-N 0 2 310.291 1.816 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]21 ZINC001221762336 880066461 /nfs/dbraw/zinc/06/64/61/880066461.db2.gz YOFHBQMRZAHIAY-YNEHKIRRSA-N 0 2 319.409 1.145 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001228801606 883677712 /nfs/dbraw/zinc/67/77/12/883677712.db2.gz UERVFRNJWRHISI-NSHDSACASA-N 0 2 307.398 1.193 20 30 DDEDLN N#CC1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CCSCC1 ZINC001362435084 883800054 /nfs/dbraw/zinc/80/00/54/883800054.db2.gz HJOMXILLXFSKFI-SNVBAGLBSA-N 0 2 321.406 1.253 20 30 DDEDLN C[C@@H](NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1nn(C)cc1O ZINC001363668541 886932237 /nfs/dbraw/zinc/93/22/37/886932237.db2.gz UMUKXJOQGUCBBS-BXUZGUMPSA-N 0 2 323.356 1.557 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1nnn(C(C)C)n1 ZINC001364044614 887788163 /nfs/dbraw/zinc/78/81/63/887788163.db2.gz FSFHDMVIOSASEZ-UHFFFAOYSA-N 0 2 306.351 1.235 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001385439922 889112880 /nfs/dbraw/zinc/11/28/80/889112880.db2.gz FGTTWTYTXPOULA-CBAPKCEASA-N 0 2 309.263 1.154 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001385439922 889112894 /nfs/dbraw/zinc/11/28/94/889112894.db2.gz FGTTWTYTXPOULA-CBAPKCEASA-N 0 2 309.263 1.154 20 30 DDEDLN C[C@H](C#N)C(=O)NC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001385439934 889113793 /nfs/dbraw/zinc/11/37/93/889113793.db2.gz FGTTWTYTXPOULA-VXNVDRBHSA-N 0 2 309.263 1.154 20 30 DDEDLN C[C@H](C#N)C(=O)NC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001385439934 889113800 /nfs/dbraw/zinc/11/38/00/889113800.db2.gz FGTTWTYTXPOULA-VXNVDRBHSA-N 0 2 309.263 1.154 20 30 DDEDLN CCOC(=O)C(C#N)NS(=O)(=O)c1ccc(Cl)s1 ZINC001256542412 897471134 /nfs/dbraw/zinc/47/11/34/897471134.db2.gz VKJDUVKVDWYVBB-LURJTMIESA-N 0 2 308.768 1.135 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccc(Cl)s1 ZINC001256542412 897471145 /nfs/dbraw/zinc/47/11/45/897471145.db2.gz VKJDUVKVDWYVBB-LURJTMIESA-N 0 2 308.768 1.135 20 30 DDEDLN COCCS(=O)(=O)Nc1c(C#N)cnn1-c1ccc(F)cc1 ZINC001259965866 898990618 /nfs/dbraw/zinc/99/06/18/898990618.db2.gz UCJIOKGFAYWJMY-UHFFFAOYSA-N 0 2 324.337 1.271 20 30 DDEDLN CC(C)(C)OC(=O)Nc1cccc(C(=O)NC2=NC(=O)CN2)c1 ZINC000050222253 352564498 /nfs/dbraw/zinc/56/44/98/352564498.db2.gz FCVSFHOHJHJMOF-UHFFFAOYSA-N 0 2 318.333 1.824 20 30 DDEDLN C=CC[C@@H]1CCCN(C(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000617785170 363307420 /nfs/dbraw/zinc/30/74/20/363307420.db2.gz FJJSIQGVSCHNCS-SNVBAGLBSA-N 0 2 314.345 1.864 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)c1cncc(F)c1 ZINC000127031596 354060317 /nfs/dbraw/zinc/06/03/17/354060317.db2.gz FIQMNIYIZKYDQJ-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN N#C[C@@]1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC12CCCC2 ZINC000579009653 354715028 /nfs/dbraw/zinc/71/50/28/354715028.db2.gz DSVGYGRQVDRYHT-BDJLRTHQSA-N 0 2 315.377 1.690 20 30 DDEDLN COCC1(CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000594395699 356196035 /nfs/dbraw/zinc/19/60/35/356196035.db2.gz DOBYPSGUWOJOBG-UHFFFAOYSA-N 0 2 307.375 1.537 20 30 DDEDLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H](C#N)CO)=N2)cc1 ZINC000597741709 357312913 /nfs/dbraw/zinc/31/29/13/357312913.db2.gz PPOHZQYBANLDBC-GFCCVEGCSA-N 0 2 314.345 1.316 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@]23C[C@H]2COC3(C)C)cc1C#N ZINC000600258768 358172678 /nfs/dbraw/zinc/17/26/78/358172678.db2.gz RLJQPWAAWUJWOH-BJOHPYRUSA-N 0 2 319.386 1.678 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2cc(C)ncn2)cc1C#N ZINC000611141173 360635828 /nfs/dbraw/zinc/63/58/28/360635828.db2.gz GGOPKTDLGDLGFI-UHFFFAOYSA-N 0 2 315.358 1.409 20 30 DDEDLN C[C@@H]1COCCN1CCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000331240271 223196169 /nfs/dbraw/zinc/19/61/69/223196169.db2.gz PGAJECZCYMRXAT-SECBINFHSA-N 0 2 300.305 1.696 20 30 DDEDLN CCCN(CC(=O)Nc1oc(C)c(C)c1C#N)CC(=O)OC ZINC000194648839 201268167 /nfs/dbraw/zinc/26/81/67/201268167.db2.gz ZUZAVKJLSBACLE-UHFFFAOYSA-N 0 2 307.350 1.592 20 30 DDEDLN C=CC[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000625701252 367099244 /nfs/dbraw/zinc/09/92/44/367099244.db2.gz OHWRQQOGFKXRQH-HNNXBMFYSA-N 0 2 309.454 1.111 20 30 DDEDLN N#Cc1nc(NC(=O)c2cccc(NC(=O)C3CC3)c2)[nH]c1C#N ZINC000026274232 406903411 /nfs/dbraw/zinc/90/34/11/406903411.db2.gz ZTHYOQGFYUOXNL-UHFFFAOYSA-N 0 2 320.312 1.754 20 30 DDEDLN N#Cc1nc(NC(=O)Cc2cnn(-c3ccccc3)c2)[nH]c1C#N ZINC000075555021 406935176 /nfs/dbraw/zinc/93/51/76/406935176.db2.gz XOEVONHDAWXIKB-UHFFFAOYSA-N 0 2 317.312 1.520 20 30 DDEDLN COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(C)n[nH]1 ZINC000103256654 407335214 /nfs/dbraw/zinc/33/52/14/407335214.db2.gz QHMJSADFAWCWST-UHFFFAOYSA-N 0 2 315.333 1.791 20 30 DDEDLN C=CCCC(=O)N1CCC(n2[nH]cc(C(=O)OCC)c2=N)CC1 ZINC000115155049 407656014 /nfs/dbraw/zinc/65/60/14/407656014.db2.gz OAPSPFJJUIROLB-UHFFFAOYSA-N 0 2 320.393 1.602 20 30 DDEDLN Cn1ncc2c1[nH]cc(C(=O)N[C@@H](C#N)C1CCCCC1)c2=O ZINC000179536091 407802118 /nfs/dbraw/zinc/80/21/18/407802118.db2.gz ZVAPKIWFFNKOCN-ZDUSSCGKSA-N 0 2 313.361 1.876 20 30 DDEDLN COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000187963773 407909027 /nfs/dbraw/zinc/90/90/27/407909027.db2.gz TYMXFFMWFZNZDL-NSHDSACASA-N 0 2 320.374 1.763 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCS[C@H](C)[C@@H]2C)cc1C#N ZINC000118530247 407921512 /nfs/dbraw/zinc/92/15/12/407921512.db2.gz JJJXUMGOZNNNPN-DTWKUNHWSA-N 0 2 323.443 1.934 20 30 DDEDLN N#Cc1ccc(O[C@H]2CCN(c3cccc(C(=O)[O-])[nH+]3)C2)nc1 ZINC000263409024 408133521 /nfs/dbraw/zinc/13/35/21/408133521.db2.gz LQTHYUPPVJCQLC-LBPRGKRZSA-N 0 2 310.313 1.704 20 30 DDEDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N(CCC#N)CCC#N ZINC000183714043 408473764 /nfs/dbraw/zinc/47/37/64/408473764.db2.gz FIABZCSTENRKRW-JTQLQIEISA-N 0 2 318.299 1.345 20 30 DDEDLN C#C[C@H](NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1)C(C)C ZINC000281263657 408876892 /nfs/dbraw/zinc/87/68/92/408876892.db2.gz DIHFVNYBFUFLAE-VIFPVBQESA-N 0 2 300.318 1.132 20 30 DDEDLN CSc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)n1 ZINC000342657357 409792498 /nfs/dbraw/zinc/79/24/98/409792498.db2.gz LMSPEOZBELUURT-UHFFFAOYSA-N 0 2 306.372 1.871 20 30 DDEDLN COCCn1cc(C(=O)N=c2[nH][nH]c(C)c2C#N)c2ccccc21 ZINC000357164158 409914264 /nfs/dbraw/zinc/91/42/64/409914264.db2.gz LNSSGQJRJBHMBI-UHFFFAOYSA-N 0 2 323.356 2.443 20 30 DDEDLN COc1ccc(-c2n[nH]cc2C(=O)N=c2[nH][nH]c(C)c2C#N)cc1 ZINC000357249693 409952562 /nfs/dbraw/zinc/95/25/62/409952562.db2.gz XQANUOFTONCYDQ-UHFFFAOYSA-N 0 2 322.328 2.241 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cncnc2-c2ccccc2)c1C#N ZINC000356174120 410877988 /nfs/dbraw/zinc/87/79/88/410877988.db2.gz XGVNXMNHYADTIB-UHFFFAOYSA-N 0 2 304.313 2.299 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@]2(O)CCC[C@@H]2C)cc1C#N ZINC000359816490 410896141 /nfs/dbraw/zinc/89/61/41/410896141.db2.gz WEODSSRVNBWLTB-BJOHPYRUSA-N 0 2 321.402 1.662 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1ccc(S(=O)(=O)CC)cc1 ZINC000360218663 411103562 /nfs/dbraw/zinc/10/35/62/411103562.db2.gz QJWIWDVJBHYJEF-LLVKDONJSA-N 0 2 316.404 1.524 20 30 DDEDLN COc1ncccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427142180 419603401 /nfs/dbraw/zinc/60/34/01/419603401.db2.gz CJHQHYILRVNCOU-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN CCCCc1nnc(NS(=O)(=O)c2cnc(C)c(C#N)c2)o1 ZINC000427789394 419734635 /nfs/dbraw/zinc/73/46/35/419734635.db2.gz MDNVQWXOTYSFGK-UHFFFAOYSA-N 0 2 321.362 1.788 20 30 DDEDLN CCOC(=O)[C@H](C)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000428148911 419821421 /nfs/dbraw/zinc/82/14/21/419821421.db2.gz YPPMDSDBVSORDY-MRVPVSSYSA-N 0 2 323.374 1.310 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)/C=C\c2ccsc2)c1 ZINC000493124898 420763219 /nfs/dbraw/zinc/76/32/19/420763219.db2.gz FWMPZRCIFFJRHE-UPHRSURJSA-N 0 2 319.367 1.533 20 30 DDEDLN CO[C@H](C)c1nc(C)c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)s1 ZINC000488938591 421126948 /nfs/dbraw/zinc/12/69/48/421126948.db2.gz HIBGSQUXKAUIQT-SSDOTTSWSA-N 0 2 316.346 1.878 20 30 DDEDLN CC[C@@H](C)c1ccc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)cc1 ZINC000573490129 421969057 /nfs/dbraw/zinc/96/90/57/421969057.db2.gz VZZOHYDYGUNAJA-LLVKDONJSA-N 0 2 311.341 1.805 20 30 DDEDLN N#Cc1cc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)ccc1F ZINC000517202106 268175326 /nfs/dbraw/zinc/17/53/26/268175326.db2.gz RNUMXHYGRCOHEB-UHFFFAOYSA-N 0 2 315.308 1.541 20 30 DDEDLN N#Cc1nc(NC(=O)[C@@H]2COc3ccc(Cl)cc32)[nH]c1C#N ZINC000365174418 268323965 /nfs/dbraw/zinc/32/39/65/268323965.db2.gz CLLBKYSDCZBMLN-SECBINFHSA-N 0 2 313.704 1.921 20 30 DDEDLN N#CC1(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)CCOCC1 ZINC000342477113 303141671 /nfs/dbraw/zinc/14/16/71/303141671.db2.gz VHLOFKWFVMKXEF-UHFFFAOYSA-N 0 2 314.301 1.289 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)c1 ZINC000576751948 308336944 /nfs/dbraw/zinc/33/69/44/308336944.db2.gz NUMBWHWTZFLFRI-UHFFFAOYSA-N 0 2 315.358 1.497 20 30 DDEDLN CC(C)N1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1=O ZINC000330599025 529085830 /nfs/dbraw/zinc/08/58/30/529085830.db2.gz UELYXRAIKDSBLV-VIFPVBQESA-N 0 2 307.306 1.614 20 30 DDEDLN CCN1CCN(C(=O)N=c2cn[n-]s2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330270476 529136520 /nfs/dbraw/zinc/13/65/20/529136520.db2.gz UGNQUXYUERIHBC-VIFPVBQESA-N 0 2 307.383 1.186 20 30 DDEDLN C/C(=C/C[NH+]1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)[O-] ZINC000825747142 601156721 /nfs/dbraw/zinc/15/67/21/601156721.db2.gz PVBFAAIGSGONRT-WCIBSUBMSA-N 0 2 316.361 1.577 20 30 DDEDLN CC(C)[C@H](CNc1[nH+]cnc2c1cnn2CCC#N)NC(=O)[O-] ZINC000738791451 602780992 /nfs/dbraw/zinc/78/09/92/602780992.db2.gz WHTVJIWLIOCTDT-NSHDSACASA-N 0 2 317.353 1.444 20 30 DDEDLN C#C[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000185359130 697517477 /nfs/dbraw/zinc/51/74/77/697517477.db2.gz LDBKGOPBIXNNKG-VIFPVBQESA-N 0 2 301.371 1.457 20 30 DDEDLN C=CCS(=O)(=O)CCNC(=O)c1c(O)cc(F)cc1F ZINC000783618073 698859446 /nfs/dbraw/zinc/85/94/46/698859446.db2.gz KZIONXRPMNZQMZ-UHFFFAOYSA-N 0 2 305.302 1.001 20 30 DDEDLN C#Cc1cccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000790004971 699432183 /nfs/dbraw/zinc/43/21/83/699432183.db2.gz MEQBVTGHGJIPDS-UHFFFAOYSA-N 0 2 311.313 1.930 20 30 DDEDLN CC(C)C/N=C1/NC(=O)C(CC(=O)Nc2cccc(O)c2)S1 ZINC000731357879 699527637 /nfs/dbraw/zinc/52/76/37/699527637.db2.gz UDLQIKDRHWQJTA-LBPRGKRZSA-N 0 2 321.402 1.964 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)CC3OCCCO3)nc21 ZINC000793160875 699736060 /nfs/dbraw/zinc/73/60/60/699736060.db2.gz UOZDTSLSJLGNOO-JTQLQIEISA-N 0 2 300.318 1.596 20 30 DDEDLN CN(CCO)c1ccc(C=[NH+]Nc2ccc(C(=O)[O-])cn2)cc1 ZINC000763369546 700935653 /nfs/dbraw/zinc/93/56/53/700935653.db2.gz HXIUQKTVEKGGBM-UHFFFAOYSA-N 0 2 314.345 1.654 20 30 DDEDLN C#C[C@H](CC)OC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000768052010 701155282 /nfs/dbraw/zinc/15/52/82/701155282.db2.gz WXTUGNLDLCHSIJ-SNVBAGLBSA-N 0 2 302.355 1.791 20 30 DDEDLN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)C(F)C(F)(F)F ZINC000810663106 701814018 /nfs/dbraw/zinc/81/40/18/701814018.db2.gz NDWIMVMLWLASCS-PHDIDXHHSA-N 0 2 324.196 1.556 20 30 DDEDLN O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)[C@@H](F)C(F)(F)F ZINC000810663106 701814020 /nfs/dbraw/zinc/81/40/20/701814020.db2.gz NDWIMVMLWLASCS-PHDIDXHHSA-N 0 2 324.196 1.556 20 30 DDEDLN C[C@@H]1C[N@H+](CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)CO1 ZINC000849169316 703623046 /nfs/dbraw/zinc/62/30/46/703623046.db2.gz AVDJZJFJGCRTMQ-VIWCAORXSA-N 0 2 307.350 1.829 20 30 DDEDLN C[C@@H]1C[N@@H+](CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)CO1 ZINC000849169316 703623047 /nfs/dbraw/zinc/62/30/47/703623047.db2.gz AVDJZJFJGCRTMQ-VIWCAORXSA-N 0 2 307.350 1.829 20 30 DDEDLN O=C(NC[C@H](n1cncn1)C(F)(F)F)C(F)C(F)(F)F ZINC000870324936 703999412 /nfs/dbraw/zinc/99/94/12/703999412.db2.gz CDCVHGYHZYKONK-CRCLSJGQSA-N 0 2 308.157 1.398 20 30 DDEDLN O=C(NC[C@H](n1cncn1)C(F)(F)F)[C@@H](F)C(F)(F)F ZINC000870324936 703999413 /nfs/dbraw/zinc/99/94/13/703999413.db2.gz CDCVHGYHZYKONK-CRCLSJGQSA-N 0 2 308.157 1.398 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C)(C(=O)[O-])CC1 ZINC000873642335 704813935 /nfs/dbraw/zinc/81/39/35/704813935.db2.gz SLEJGTXWHHBJSD-AWEZNQCLSA-N 0 2 316.357 1.959 20 30 DDEDLN C=CCOC[C@H]([NH2+]Cc1ccc(Br)o1)C(=O)[O-] ZINC000901809260 710152875 /nfs/dbraw/zinc/15/28/75/710152875.db2.gz QHOCZAAQVHPFMJ-VIFPVBQESA-N 0 2 304.140 1.788 20 30 DDEDLN C=CCOCCCCOC(=O)Cc1c(C)nc2cc[nH]n2c1=O ZINC000893474873 710671013 /nfs/dbraw/zinc/67/10/13/710671013.db2.gz UUFZGANUOPKCCV-UHFFFAOYSA-N 0 2 319.361 1.400 20 30 DDEDLN CC[C@@H](C#N)NS(=O)(=O)N=[S@@](C)(=O)c1ccccc1 ZINC000906059881 712233637 /nfs/dbraw/zinc/23/36/37/712233637.db2.gz BQWRYYPFDJULGZ-YPMLDQLKSA-N 0 2 301.393 1.280 20 30 DDEDLN CC[S@](C)(=O)=NS(=O)(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000906061074 712234053 /nfs/dbraw/zinc/23/40/53/712234053.db2.gz DYXTXYFZTKRNRR-YRUZYCQGSA-N 0 2 307.441 1.411 20 30 DDEDLN CCOc1ccc(N=C2NC(=O)[C@H](CC(=O)NC)S2)cc1 ZINC000914582104 713397748 /nfs/dbraw/zinc/39/77/48/713397748.db2.gz RBFUOOKOIQSLQZ-NSHDSACASA-N 0 2 307.375 1.441 20 30 DDEDLN C=CC[NH+]1CC(N(CC)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000957132004 715762144 /nfs/dbraw/zinc/76/21/44/715762144.db2.gz HAZXZFGVGBJJPG-UHFFFAOYSA-N 0 2 302.334 1.261 20 30 DDEDLN O=C(C#CC1CC1)N1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000940999459 717067933 /nfs/dbraw/zinc/06/79/33/717067933.db2.gz NIZMSNYKUSJGHI-GFCCVEGCSA-N 0 2 320.286 1.361 20 30 DDEDLN O=C(C#CC1CC1)N1CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000940999459 717067940 /nfs/dbraw/zinc/06/79/40/717067940.db2.gz NIZMSNYKUSJGHI-GFCCVEGCSA-N 0 2 320.286 1.361 20 30 DDEDLN C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000969134966 719972225 /nfs/dbraw/zinc/97/22/25/719972225.db2.gz ASCZVJLHZLJRHT-CHWSQXEVSA-N 0 2 322.840 1.766 20 30 DDEDLN C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027979623 738901029 /nfs/dbraw/zinc/90/10/29/738901029.db2.gz FTIVYLYEXDYZOD-CABCVRRESA-N 0 2 302.422 1.602 20 30 DDEDLN N#Cc1cncc(N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)n1 ZINC001059097648 739933977 /nfs/dbraw/zinc/93/39/77/739933977.db2.gz KTAYXEBWWWRIEX-XVKPBYJWSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1cncc(N[C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)n1 ZINC001059097648 739933983 /nfs/dbraw/zinc/93/39/83/739933983.db2.gz KTAYXEBWWWRIEX-XVKPBYJWSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1cnc(NC2(CNC(=O)C(F)C(F)(F)F)CC2)cn1 ZINC001110375616 744342105 /nfs/dbraw/zinc/34/21/05/744342105.db2.gz OUHCEVWPFJULQS-SECBINFHSA-N 0 2 317.246 1.309 20 30 DDEDLN N#Cc1cnc(NC2(CNC(=O)[C@@H](F)C(F)(F)F)CC2)cn1 ZINC001110375616 744342107 /nfs/dbraw/zinc/34/21/07/744342107.db2.gz OUHCEVWPFJULQS-SECBINFHSA-N 0 2 317.246 1.309 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2ccc3nsnc3c2)cn1 ZINC001186226195 744359359 /nfs/dbraw/zinc/35/93/59/744359359.db2.gz OEHHREHTDFZUSJ-UHFFFAOYSA-N 0 2 318.343 1.154 20 30 DDEDLN C=CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCc3nn[nH]c3C1)CC2 ZINC001035834594 751929735 /nfs/dbraw/zinc/92/97/35/751929735.db2.gz MVCLIDHAXCHRAM-ZDUSSCGKSA-N 0 2 315.421 1.020 20 30 DDEDLN C=C(Cl)CN1C[C@@H](NC(=O)C(F)C(F)(F)F)[C@H](OC)C1 ZINC001212304313 747816837 /nfs/dbraw/zinc/81/68/37/747816837.db2.gz VGPKCBOWINTXAN-IWSPIJDZSA-N 0 2 318.698 1.455 20 30 DDEDLN C=C(Cl)CN1C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)[C@H](OC)C1 ZINC001212304313 747816845 /nfs/dbraw/zinc/81/68/45/747816845.db2.gz VGPKCBOWINTXAN-IWSPIJDZSA-N 0 2 318.698 1.455 20 30 DDEDLN C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000997185729 750678878 /nfs/dbraw/zinc/67/88/78/750678878.db2.gz JDWJVIVMVHPLOP-GDBMZVCRSA-N 0 2 314.433 1.295 20 30 DDEDLN CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](OC)C1 ZINC001082200076 756674199 /nfs/dbraw/zinc/67/41/99/756674199.db2.gz PNVURBWNAOXVJQ-GVDBMIGSSA-N 0 2 321.465 1.090 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccc(C#N)nn1 ZINC001113935209 766426906 /nfs/dbraw/zinc/42/69/06/766426906.db2.gz VUWGUWMCYMPYTD-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1ccc(C#N)nn1 ZINC001113935209 766426914 /nfs/dbraw/zinc/42/69/14/766426914.db2.gz VUWGUWMCYMPYTD-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN CON=Cc1ccc(C(=O)N[C@H](C)c2nn(C)cc2O)cc1 ZINC001179921025 779561241 /nfs/dbraw/zinc/56/12/41/779561241.db2.gz LTBRQLSCDLAROU-SNVBAGLBSA-N 0 2 302.334 1.597 20 30 DDEDLN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2cncc(CO)c2)c1 ZINC001190938932 851148408 /nfs/dbraw/zinc/14/84/08/851148408.db2.gz GQNPKEUKZSWCIK-UHFFFAOYSA-N 0 2 323.761 1.900 20 30 DDEDLN CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870331 857825602 /nfs/dbraw/zinc/82/56/02/857825602.db2.gz FPIRVMVYZPATPD-HNNXBMFYSA-N 0 2 312.417 1.003 20 30 DDEDLN N#C[C@H](C(=O)c1cnn(CCF)c1)c1nc(N)c2ccccc2n1 ZINC001122419494 858802441 /nfs/dbraw/zinc/80/24/41/858802441.db2.gz KZOHHWLANGQLRH-GFCCVEGCSA-N 0 2 324.319 1.868 20 30 DDEDLN N#C[C@@H](NC(=O)c1c[nH]c2cccnc2c1=O)c1ccccc1 ZINC001153854074 864162048 /nfs/dbraw/zinc/16/20/48/864162048.db2.gz KOKBIBRKUSZQKY-CQSZACIVSA-N 0 2 304.309 1.918 20 30 DDEDLN C#CCCC1(CCNC(=O)c2c[nH]c3cccnc3c2=O)N=N1 ZINC001153862768 864173273 /nfs/dbraw/zinc/17/32/73/864173273.db2.gz FDOXYAPEFJYQLQ-UHFFFAOYSA-N 0 2 309.329 1.619 20 30 DDEDLN CC#CC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001332111446 865585243 /nfs/dbraw/zinc/58/52/43/865585243.db2.gz NALOBQZADILDAF-JFIYKMOQSA-N 0 2 314.433 1.971 20 30 DDEDLN C=C[C@H](CC(=O)OC(C)(C)C)Oc1[nH]c(=O)nc2nccnc21 ZINC001226991375 882765583 /nfs/dbraw/zinc/76/55/83/882765583.db2.gz MQVYUOXMFZMVJV-SECBINFHSA-N 0 2 318.333 1.791 20 30 DDEDLN Cn1c(=O)[nH]c(NCCCc2ccc(Cl)cc2)c(C#N)c1=O ZINC001347969656 874322252 /nfs/dbraw/zinc/32/22/52/874322252.db2.gz MRXSRFWHRMWYKD-UHFFFAOYSA-N 0 2 318.764 1.643 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CC(Oc2cc[nH+]cc2)C1 ZINC001362063842 882944673 /nfs/dbraw/zinc/94/46/73/882944673.db2.gz MMDCEMDJDIEXEV-UHFFFAOYSA-N 0 2 310.313 1.266 20 30 DDEDLN O=C(C#CC1CC1)N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001350532569 875746951 /nfs/dbraw/zinc/74/69/51/875746951.db2.gz JRHWQIXEOIEPKD-KOLCDFICSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(C#CC1CC1)N[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001350532569 875746954 /nfs/dbraw/zinc/74/69/54/875746954.db2.gz JRHWQIXEOIEPKD-KOLCDFICSA-N 0 2 306.259 1.017 20 30 DDEDLN C=CCCC(=O)N(C)[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001350701324 875843535 /nfs/dbraw/zinc/84/35/35/875843535.db2.gz WVINRDXJVXKMBK-KOLCDFICSA-N 0 2 310.291 1.912 20 30 DDEDLN C=CCCC(=O)N(C)[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001350701324 875843541 /nfs/dbraw/zinc/84/35/41/875843541.db2.gz WVINRDXJVXKMBK-KOLCDFICSA-N 0 2 310.291 1.912 20 30 DDEDLN C=CCCC(=O)N(C)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001350701326 875844624 /nfs/dbraw/zinc/84/46/24/875844624.db2.gz WVINRDXJVXKMBK-ONGXEEELSA-N 0 2 310.291 1.912 20 30 DDEDLN C=CCCC(=O)N(C)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001350701326 875844638 /nfs/dbraw/zinc/84/46/38/875844638.db2.gz WVINRDXJVXKMBK-ONGXEEELSA-N 0 2 310.291 1.912 20 30 DDEDLN C#CCCCCCC(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001228636762 883583227 /nfs/dbraw/zinc/58/32/27/883583227.db2.gz BIIRHIRUQCFZPK-UHFFFAOYSA-N 0 2 319.409 1.175 20 30 DDEDLN C=C[C@@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001228749934 883652450 /nfs/dbraw/zinc/65/24/50/883652450.db2.gz VRISVYBERSLPGC-GHMZBOCLSA-N 0 2 307.398 1.049 20 30 DDEDLN CCCN(Cc1ccc(C#N)cc1)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001365225390 890390860 /nfs/dbraw/zinc/39/08/60/890390860.db2.gz OFLISVYWQNWPIX-UHFFFAOYSA-N 0 2 323.356 1.234 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1c(C)cc(C)cc1C ZINC001251512907 894717904 /nfs/dbraw/zinc/71/79/04/894717904.db2.gz FTXSXAOJPNETAP-LBPRGKRZSA-N 0 2 310.375 1.345 20 30 DDEDLN CCCCS(=O)(=O)Nc1c(C#N)cnc2c(C#N)cnn21 ZINC001253786872 896090398 /nfs/dbraw/zinc/09/03/98/896090398.db2.gz MWPRLXRGLBXUJO-UHFFFAOYSA-N 0 2 304.335 1.014 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CCC1=O ZINC001256037060 897231487 /nfs/dbraw/zinc/23/14/87/897231487.db2.gz UOXAKQKKPDYISW-MRVPVSSYSA-N 0 2 300.286 1.068 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)CCC1=O ZINC001259039328 898435066 /nfs/dbraw/zinc/43/50/66/898435066.db2.gz VSNLOAYQRDNURN-ZETCQYMHSA-N 0 2 318.276 1.207 20 30 DDEDLN CC(C)C#CC(=O)NCCC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001280832460 904095282 /nfs/dbraw/zinc/09/52/82/904095282.db2.gz PIHASSZREDFAOS-PWSUYJOCSA-N 0 2 324.318 1.947 20 30 DDEDLN CC(C)C#CC(=O)NCCC[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001280832460 904095293 /nfs/dbraw/zinc/09/52/93/904095293.db2.gz PIHASSZREDFAOS-PWSUYJOCSA-N 0 2 324.318 1.947 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001372154734 906594885 /nfs/dbraw/zinc/59/48/85/906594885.db2.gz CKHUAXZLSCBWEV-PSASIEDQSA-N 0 2 323.290 1.401 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001372154734 906594892 /nfs/dbraw/zinc/59/48/92/906594892.db2.gz CKHUAXZLSCBWEV-PSASIEDQSA-N 0 2 323.290 1.401 20 30 DDEDLN CCCN(CCNC(=O)C(F)C(F)(F)F)C(=O)C#CC1CC1 ZINC001296511438 916460668 /nfs/dbraw/zinc/46/06/68/916460668.db2.gz QRNHNCMKFNIAQD-LBPRGKRZSA-N 0 2 322.302 1.655 20 30 DDEDLN CCCN(CCNC(=O)[C@H](F)C(F)(F)F)C(=O)C#CC1CC1 ZINC001296511438 916460679 /nfs/dbraw/zinc/46/06/79/916460679.db2.gz QRNHNCMKFNIAQD-LBPRGKRZSA-N 0 2 322.302 1.655 20 30 DDEDLN Cc1nc([C@H]2CCCOC2)sc1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000328862430 539299250 /nfs/dbraw/zinc/29/92/50/539299250.db2.gz AWWVAHQOVFGAQE-QMMMGPOBSA-N 0 2 323.378 1.674 20 30 DDEDLN Cn1cc(S(=O)(=O)NC(=O)C2CCCCC2)cc1C(N)=O ZINC000042345731 352335219 /nfs/dbraw/zinc/33/52/19/352335219.db2.gz OSWDMUNCMAVKIU-UHFFFAOYSA-N 0 2 313.379 1.350 20 30 DDEDLN C=CCOCCCC(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000172977007 198172685 /nfs/dbraw/zinc/17/26/85/198172685.db2.gz KMALTLCZZZATTG-UHFFFAOYSA-N 0 2 303.318 1.951 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cccc3n[nH]cc32)cc1C#N ZINC000589963653 355035357 /nfs/dbraw/zinc/03/53/57/355035357.db2.gz TUFBFTPZPAQUEK-UHFFFAOYSA-N 0 2 313.342 1.939 20 30 DDEDLN N#Cc1cnc(Nc2cnn(C[C@@H]3CCCO3)c2)c([N+](=O)[O-])c1 ZINC000590686913 355147426 /nfs/dbraw/zinc/14/74/26/355147426.db2.gz DGWFICYQFOCLAV-LBPRGKRZSA-N 0 2 314.305 1.981 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1ncn(C(C)C)n1 ZINC000593283102 355844398 /nfs/dbraw/zinc/84/43/98/355844398.db2.gz FSHZWUWQLXACFH-UHFFFAOYSA-N 0 2 305.363 1.840 20 30 DDEDLN N#Cc1nc(N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)sc1Cl ZINC000596225980 356823148 /nfs/dbraw/zinc/82/31/48/356823148.db2.gz LSIZVIATBRPJGE-LURJTMIESA-N 0 2 310.770 1.876 20 30 DDEDLN N#CC[C@@H]1CCCN(C(=O)c2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000597901145 357377177 /nfs/dbraw/zinc/37/71/77/357377177.db2.gz GVOJJKPOJJKCEE-NSHDSACASA-N 0 2 312.329 1.796 20 30 DDEDLN CC1(c2nc(=NC(=O)c3cc(O)cc(C#N)c3)s[nH]2)CC1 ZINC000600226483 358162082 /nfs/dbraw/zinc/16/20/82/358162082.db2.gz CSFGERNUMGUZMA-UHFFFAOYSA-N 0 2 300.343 1.841 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000601802583 358699575 /nfs/dbraw/zinc/69/95/75/358699575.db2.gz UYCVWSWOBOXVBV-AVKZDSLQSA-N 0 2 320.414 1.953 20 30 DDEDLN CC(C)(C)c1nc(=NC(=O)NC2CCN(CC#N)CC2)s[nH]1 ZINC000609712616 360346819 /nfs/dbraw/zinc/34/68/19/360346819.db2.gz XSHGSYIELXAYKD-UHFFFAOYSA-N 0 2 322.438 1.367 20 30 DDEDLN C[C@H](CCNC(=O)N=c1nc(C(C)(C)C)[nH]s1)[S@](C)=O ZINC000331132577 223188435 /nfs/dbraw/zinc/18/84/35/223188435.db2.gz BRIUTXUEOXTAMU-SQFXPLBJSA-N 0 2 318.468 1.741 20 30 DDEDLN CC(C)Cc1nnc(NS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000194855337 201300550 /nfs/dbraw/zinc/30/05/50/201300550.db2.gz DUTIJRKYVMJNTH-UHFFFAOYSA-N 0 2 306.347 1.941 20 30 DDEDLN COc1cc(C)ccc1OCC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000026275359 406903569 /nfs/dbraw/zinc/90/35/69/406903569.db2.gz ZURWRZBOGZSISM-UHFFFAOYSA-N 0 2 311.301 1.488 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCc2ccccn2)cc1C#N ZINC000031893502 406943337 /nfs/dbraw/zinc/94/33/37/406943337.db2.gz JSGBKGFUDCTGJG-UHFFFAOYSA-N 0 2 314.370 1.748 20 30 DDEDLN C=C(C)C[NH+]1CCC(NC(=O)NCCCc2cn[nH]c2C)CC1 ZINC000106326786 407358899 /nfs/dbraw/zinc/35/88/99/407358899.db2.gz ZCPIEJBDQMMWBE-UHFFFAOYSA-N 0 2 319.453 1.990 20 30 DDEDLN CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(C#N)nc2)s1 ZINC000176598744 408401135 /nfs/dbraw/zinc/40/11/35/408401135.db2.gz MVJWJWMPUQLTAV-UHFFFAOYSA-N 0 2 323.403 1.903 20 30 DDEDLN N#CC1(C(=O)NCc2nnc(COc3ccccc3)[nH]2)CCC1 ZINC000274602525 408465663 /nfs/dbraw/zinc/46/56/63/408465663.db2.gz UKFXBSMFPRSHIV-UHFFFAOYSA-N 0 2 311.345 1.694 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(NCC3CC3)nc2)[nH]c1C#N ZINC000282146081 408999730 /nfs/dbraw/zinc/99/97/30/408999730.db2.gz LKGRHQNUUWKSMU-UHFFFAOYSA-N 0 2 307.317 1.622 20 30 DDEDLN CO[C@]1(C)CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289461567 409276992 /nfs/dbraw/zinc/27/69/92/409276992.db2.gz QDIAIADEDCJYKE-OAHLLOKOSA-N 0 2 323.418 1.228 20 30 DDEDLN CC[C@@H]1CCCC[C@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408483173 164345905 /nfs/dbraw/zinc/34/59/05/164345905.db2.gz BBCUHRDIZXZTHZ-TZMCWYRMSA-N 0 2 321.402 1.975 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000408484930 164346544 /nfs/dbraw/zinc/34/65/44/164346544.db2.gz FVNFDUGXBULILH-ITGUQSILSA-N 0 2 305.359 1.194 20 30 DDEDLN C/C=C\C[C@H](CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000354179656 409722779 /nfs/dbraw/zinc/72/27/79/409722779.db2.gz DQYROMMHYCWCBM-UMBAGQNISA-N 0 2 307.375 1.438 20 30 DDEDLN CC(C)c1ncc(NS(=O)(=O)c2cncc(C#N)c2)cn1 ZINC000357108236 409877906 /nfs/dbraw/zinc/87/79/06/409877906.db2.gz UBMYIBZMTIQLGA-UHFFFAOYSA-N 0 2 303.347 1.667 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cc(Cl)cc3c2OCC3)c1C#N ZINC000357244477 409952965 /nfs/dbraw/zinc/95/29/65/409952965.db2.gz OKHVRXLHNOMCFK-UHFFFAOYSA-N 0 2 302.721 2.430 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)C(C)(C)NC(=O)c2ccccc2)c1C#N ZINC000357243176 409953130 /nfs/dbraw/zinc/95/31/30/409953130.db2.gz MFHMMUZEZBVDGX-UHFFFAOYSA-N 0 2 311.345 1.737 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)CC(C)(C)C)cc1C#N ZINC000351707331 410165624 /nfs/dbraw/zinc/16/56/24/410165624.db2.gz XUIKKTBJMGYEQS-SNVBAGLBSA-N 0 2 323.418 1.908 20 30 DDEDLN N#Cc1nc(NC(=O)c2csc([C@H]3CCCO3)n2)[nH]c1C#N ZINC000339596289 410316827 /nfs/dbraw/zinc/31/68/27/410316827.db2.gz DTSKBSWXUGUGFA-SNVBAGLBSA-N 0 2 314.330 1.713 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)C[C@@H]2CCCO2)cc1C#N ZINC000330049292 410526160 /nfs/dbraw/zinc/52/61/60/410526160.db2.gz JIOAJTMKXGWSOC-JTQLQIEISA-N 0 2 307.375 1.632 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC2(O)CCCC2)cc1C#N ZINC000359245844 410582220 /nfs/dbraw/zinc/58/22/20/410582220.db2.gz AHJGWKZDODOPMY-UHFFFAOYSA-N 0 2 307.375 1.416 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC[C@H](O)C(C)C)cc1C#N ZINC000359457186 410672806 /nfs/dbraw/zinc/67/28/06/410672806.db2.gz HYJCEWFJFMPUEX-NSHDSACASA-N 0 2 309.391 1.518 20 30 DDEDLN CO[C@@H](C(=O)N=c1[nH][nH]c(C2CC2)c1C#N)c1ccc(O)cc1 ZINC000359727034 410839822 /nfs/dbraw/zinc/83/98/22/410839822.db2.gz SGJPTIAIPFXAQW-CQSZACIVSA-N 0 2 312.329 2.191 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@H]2CCO)cc1C#N ZINC000331149367 410979892 /nfs/dbraw/zinc/97/98/92/410979892.db2.gz BHGJUDKJMLPCAN-JOYOIKCWSA-N 0 2 321.402 1.662 20 30 DDEDLN CN=c1[nH]nc(CC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)s1 ZINC000353770589 411127237 /nfs/dbraw/zinc/12/72/37/411127237.db2.gz HCFPHKUDMAZMAK-JTQLQIEISA-N 0 2 321.793 2.157 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCCC[C@H]2O)cc1C#N ZINC000360551062 418461570 /nfs/dbraw/zinc/46/15/70/418461570.db2.gz RMRVWFHRBSSENF-NWDGAFQWSA-N 0 2 321.402 1.804 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2noc(C(C)(C)C)n2)cc1C#N ZINC000427741614 419725388 /nfs/dbraw/zinc/72/53/88/419725388.db2.gz DIYZGSJRPMDXDI-UHFFFAOYSA-N 0 2 321.362 1.743 20 30 DDEDLN C=CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc1Cl ZINC000414959373 419894084 /nfs/dbraw/zinc/89/40/84/419894084.db2.gz FFIZGSXSBJETPQ-CQSZACIVSA-N 0 2 309.841 1.898 20 30 DDEDLN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000437502257 420408778 /nfs/dbraw/zinc/40/87/78/420408778.db2.gz UZLOHBLGGDPMQL-HZMBPMFUSA-N 0 2 316.361 1.385 20 30 DDEDLN CCNc1ccc(C#N)cc1NS(=O)(=O)c1c[nH]nc1C ZINC000439618172 420526887 /nfs/dbraw/zinc/52/68/87/420526887.db2.gz XRNXOXPEJIADKB-UHFFFAOYSA-N 0 2 305.363 1.822 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)cn1 ZINC000551052333 421527389 /nfs/dbraw/zinc/52/73/89/421527389.db2.gz VOVDYVFMTSCLNQ-UHFFFAOYSA-N 0 2 315.358 1.497 20 30 DDEDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1c[nH]c(C#N)c1 ZINC000579012078 422689639 /nfs/dbraw/zinc/68/96/39/422689639.db2.gz YNPLXSSDVRUDNE-UHFFFAOYSA-N 0 2 308.301 1.938 20 30 DDEDLN COc1cc(C(=O)[C@@H](C#N)c2nc3c(nccc3C)[nH]2)nn1C ZINC000548466827 341262037 /nfs/dbraw/zinc/26/20/37/341262037.db2.gz DCJRGMNMVBHGKM-SECBINFHSA-N 0 2 310.317 1.499 20 30 DDEDLN C=C(C)CN(Cc1ccc(CO)o1)C(=O)Cc1c[nH+]cn1C ZINC000672218849 485259721 /nfs/dbraw/zinc/25/97/21/485259721.db2.gz CQPZTNRCIUTXNB-UHFFFAOYSA-N 0 2 303.362 1.653 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2N1CCC(C(=O)[O-])CC1 ZINC000740307800 596916074 /nfs/dbraw/zinc/91/60/74/596916074.db2.gz BEQNEXSYMUDXSC-UHFFFAOYSA-N 0 2 300.322 1.041 20 30 DDEDLN COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000818500535 597078305 /nfs/dbraw/zinc/07/83/05/597078305.db2.gz PRAOZWTTYZZCII-CJNGLKHVSA-N 0 2 316.357 1.959 20 30 DDEDLN COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000818500535 597078306 /nfs/dbraw/zinc/07/83/06/597078306.db2.gz PRAOZWTTYZZCII-CJNGLKHVSA-N 0 2 316.357 1.959 20 30 DDEDLN O=[N+]([O-])c1ccc(C=NNC(=S)NC[C@H]2CCCO2)cc1O ZINC000748131710 700101253 /nfs/dbraw/zinc/10/12/53/700101253.db2.gz MPYCRCJYVQZJSB-SNVBAGLBSA-N 0 2 324.362 1.277 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1COc2ccccc2C1 ZINC000178475612 697425182 /nfs/dbraw/zinc/42/51/82/697425182.db2.gz FGOXTEJLOJWBJW-OLZOCXBDSA-N 0 2 309.325 1.563 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ncc(C#N)s2)cc1F ZINC000610725635 699218015 /nfs/dbraw/zinc/21/80/15/699218015.db2.gz WTAPZLQXNPAOBX-UHFFFAOYSA-N 0 2 313.335 1.963 20 30 DDEDLN C=CC/N=C1/NC(=O)C(CC(=O)Nc2cccc(O)c2)S1 ZINC000731357048 699527502 /nfs/dbraw/zinc/52/75/02/699527502.db2.gz AUHSILZIAYEKSY-LLVKDONJSA-N 0 2 305.359 1.494 20 30 DDEDLN N#Cc1ccc([C@H]([NH2+]CC(=O)Nc2cccnc2)C(=O)[O-])cc1 ZINC000739108531 699770836 /nfs/dbraw/zinc/77/08/36/699770836.db2.gz VHNUPMHMZGFQJV-HNNXBMFYSA-N 0 2 310.313 1.307 20 30 DDEDLN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(F)C(F)(F)F ZINC000764510132 700974677 /nfs/dbraw/zinc/97/46/77/700974677.db2.gz VWBQMKXBJQRBCT-UHNVWZDZSA-N 0 2 310.169 1.166 20 30 DDEDLN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@H](F)C(F)(F)F ZINC000764510132 700974679 /nfs/dbraw/zinc/97/46/79/700974679.db2.gz VWBQMKXBJQRBCT-UHNVWZDZSA-N 0 2 310.169 1.166 20 30 DDEDLN Cc1ccn2cc(C([O-])=C(C#N)C(=O)c3nccn3C)[nH+]c2c1 ZINC000770866547 701298390 /nfs/dbraw/zinc/29/83/90/701298390.db2.gz STPVMDZQKVOZCP-NSHDSACASA-N 0 2 307.313 1.582 20 30 DDEDLN N#Cc1ccc(N2CCN(c3[nH+]cccc3C(=O)[O-])CC2)cn1 ZINC000843035880 702806006 /nfs/dbraw/zinc/80/60/06/702806006.db2.gz KZWCOXUJGKYKCM-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN CC[C@H](C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000845720235 703193300 /nfs/dbraw/zinc/19/33/00/703193300.db2.gz JYBBDFQMEUJQFU-VXGBXAGGSA-N 0 2 306.366 1.508 20 30 DDEDLN C=C(C)CO[N-]C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000846533323 703292651 /nfs/dbraw/zinc/29/26/51/703292651.db2.gz HFMRSODDBCQSDS-CYBMUJFWSA-N 0 2 308.382 1.107 20 30 DDEDLN C=C(C)CO[N-]C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000846533323 703292654 /nfs/dbraw/zinc/29/26/54/703292654.db2.gz HFMRSODDBCQSDS-CYBMUJFWSA-N 0 2 308.382 1.107 20 30 DDEDLN CN(CCc1cccc(C#N)c1)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000863434122 705928057 /nfs/dbraw/zinc/92/80/57/705928057.db2.gz GXPSZTJDDADVMC-LBPRGKRZSA-N 0 2 316.386 1.116 20 30 DDEDLN COc1cc(NS(=O)(=O)c2ccc(CCC#N)cc2)n(C)n1 ZINC000886447383 708761904 /nfs/dbraw/zinc/76/19/04/708761904.db2.gz HRFSINLQMMWQKD-UHFFFAOYSA-N 0 2 320.374 1.686 20 30 DDEDLN C=CCOC[C@@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(=O)[O-] ZINC000909770042 709610200 /nfs/dbraw/zinc/61/02/00/709610200.db2.gz DQTVAYTZCVQPLF-CHWSQXEVSA-N 0 2 309.366 1.242 20 30 DDEDLN C#CC1(O)CN(C(=O)c2cc(Br)c(F)cc2O)C1 ZINC000890526119 709903819 /nfs/dbraw/zinc/90/38/19/709903819.db2.gz PHDNBLXDBSDWAA-UHFFFAOYSA-N 0 2 314.110 1.114 20 30 DDEDLN C#CC[C@H](CO)Nc1c(C(=O)[O-])c[nH+]c2c(OC)cccc12 ZINC000910355307 709907645 /nfs/dbraw/zinc/90/76/45/709907645.db2.gz JCRRAQWNHJNUEH-SNVBAGLBSA-N 0 2 300.314 1.738 20 30 DDEDLN CO[C@H](CC(C)C)CS(=O)(=O)Nc1c(C#N)c(C)nn1C ZINC000903172997 711054731 /nfs/dbraw/zinc/05/47/31/711054731.db2.gz IOLSRMKRFKKGAF-LLVKDONJSA-N 0 2 314.411 1.403 20 30 DDEDLN COCCCNC(=S)NN=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000916282071 713449818 /nfs/dbraw/zinc/44/98/18/713449818.db2.gz FQUSAYMZEMRZKS-UHFFFAOYSA-N 0 2 312.351 1.135 20 30 DDEDLN C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@H]1C ZINC000947919915 719307538 /nfs/dbraw/zinc/30/75/38/719307538.db2.gz AQJODNALASNMAU-HUUCEWRRSA-N 0 2 323.400 1.483 20 30 DDEDLN Cn1c(=O)[nH]c(NCCSCCC(F)(F)F)c(C#N)c1=O ZINC001120868063 782196737 /nfs/dbraw/zinc/19/67/37/782196737.db2.gz NJYDFAVMAYYZHJ-UHFFFAOYSA-N 0 2 322.312 1.043 20 30 DDEDLN CN(CCN(C)c1cnc(C#N)cn1)C(=O)C(F)C(F)(F)F ZINC001105589091 742133730 /nfs/dbraw/zinc/13/37/30/742133730.db2.gz ICKQBDSKQIDLCT-JTQLQIEISA-N 0 2 319.262 1.143 20 30 DDEDLN CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@H](F)C(F)(F)F ZINC001105589091 742133731 /nfs/dbraw/zinc/13/37/31/742133731.db2.gz ICKQBDSKQIDLCT-JTQLQIEISA-N 0 2 319.262 1.143 20 30 DDEDLN C#CCCCC(=O)NCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001076302391 742647792 /nfs/dbraw/zinc/64/77/92/742647792.db2.gz IDZGZDPEXYSBIH-GXSJLCMTSA-N 0 2 310.291 1.701 20 30 DDEDLN C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001076302391 742647795 /nfs/dbraw/zinc/64/77/95/742647795.db2.gz IDZGZDPEXYSBIH-GXSJLCMTSA-N 0 2 310.291 1.701 20 30 DDEDLN N#Cc1nccc(NC2(CNC(=O)C(F)C(F)(F)F)CC2)n1 ZINC001110375574 744341720 /nfs/dbraw/zinc/34/17/20/744341720.db2.gz NDSDPNNYHWKINQ-SECBINFHSA-N 0 2 317.246 1.309 20 30 DDEDLN N#Cc1nccc(NC2(CNC(=O)[C@@H](F)C(F)(F)F)CC2)n1 ZINC001110375574 744341722 /nfs/dbraw/zinc/34/17/22/744341722.db2.gz NDSDPNNYHWKINQ-SECBINFHSA-N 0 2 317.246 1.309 20 30 DDEDLN N#Cc1cnc(NC2(CNC(=O)C(F)C(F)(F)F)CC2)cn1 ZINC001110375617 744342794 /nfs/dbraw/zinc/34/27/94/744342794.db2.gz OUHCEVWPFJULQS-VIFPVBQESA-N 0 2 317.246 1.309 20 30 DDEDLN N#Cc1cnc(NC2(CNC(=O)[C@H](F)C(F)(F)F)CC2)cn1 ZINC001110375617 744342797 /nfs/dbraw/zinc/34/27/97/744342797.db2.gz OUHCEVWPFJULQS-VIFPVBQESA-N 0 2 317.246 1.309 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1csc2ccccc21 ZINC001186523529 744409095 /nfs/dbraw/zinc/40/90/95/744409095.db2.gz IRYQJKXSAPRPTL-JTQLQIEISA-N 0 2 324.383 1.635 20 30 DDEDLN COCCn1nccc1NS(=O)(=O)c1cc(C#N)ccc1F ZINC001190619362 745260291 /nfs/dbraw/zinc/26/02/91/745260291.db2.gz JAHVVLGXXWTYOC-UHFFFAOYSA-N 0 2 324.337 1.341 20 30 DDEDLN C[C@@H](CCNc1cncc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001106603269 745826404 /nfs/dbraw/zinc/82/64/04/745826404.db2.gz IFEXYWXSKSFXHP-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNc1cncc(C#N)n1)NC(=O)[C@@H](F)C(F)(F)F ZINC001106603269 745826413 /nfs/dbraw/zinc/82/64/13/745826413.db2.gz IFEXYWXSKSFXHP-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN C=C[C@H]1C[C@]1(NC(=O)c1c(F)ccc(F)c1O)C(=O)OCC ZINC001192719495 745880187 /nfs/dbraw/zinc/88/01/87/745880187.db2.gz KGIUWYRJNNHMKY-VXJOIVPMSA-N 0 2 311.284 1.908 20 30 DDEDLN C[C@H](C#N)S(=O)(=O)Nc1cccnc1C#C[Si](C)(C)C ZINC001193105701 745979933 /nfs/dbraw/zinc/97/99/33/745979933.db2.gz ZXYCKSKRDAFSTF-LLVKDONJSA-N 0 2 307.451 1.964 20 30 DDEDLN CCOC(=O)c1ncc(NC(=O)c2cccc(C#N)c2O)cn1 ZINC001193643116 746160097 /nfs/dbraw/zinc/16/00/97/746160097.db2.gz WOOFELWIBBKISK-UHFFFAOYSA-N 0 2 312.285 1.483 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2O)cn1 ZINC001195725560 746677757 /nfs/dbraw/zinc/67/77/57/746677757.db2.gz ZQUUFPGBVCTPHR-UHFFFAOYSA-N 0 2 305.315 1.468 20 30 DDEDLN C#Cc1cc(=NS(=O)(=O)c2ccc3nccnc3c2)cc[nH]1 ZINC001198110458 747384726 /nfs/dbraw/zinc/38/47/26/747384726.db2.gz SECKTXZXNQVPPX-UHFFFAOYSA-N 0 2 310.338 1.229 20 30 DDEDLN CCN(CCNc1nccnc1C#N)C(=O)C(F)C(F)(F)F ZINC001106975914 748456573 /nfs/dbraw/zinc/45/65/73/748456573.db2.gz KVYAWYDJTDGLNP-VIFPVBQESA-N 0 2 319.262 1.509 20 30 DDEDLN CCN(CCNc1nccnc1C#N)C(=O)[C@H](F)C(F)(F)F ZINC001106975914 748456575 /nfs/dbraw/zinc/45/65/75/748456575.db2.gz KVYAWYDJTDGLNP-VIFPVBQESA-N 0 2 319.262 1.509 20 30 DDEDLN C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001033874572 750008350 /nfs/dbraw/zinc/00/83/50/750008350.db2.gz BFNJQVAHYZQNLX-HUUCEWRRSA-N 0 2 302.422 1.554 20 30 DDEDLN C=C1CC(C)(C(=O)NC2CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC000999290670 752793137 /nfs/dbraw/zinc/79/31/37/752793137.db2.gz MLEIBJQSEFGJDV-VIFPVBQESA-N 0 2 308.275 1.570 20 30 DDEDLN C=C1CC(C)(C(=O)NC2CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000999290670 752793131 /nfs/dbraw/zinc/79/31/31/752793131.db2.gz MLEIBJQSEFGJDV-VIFPVBQESA-N 0 2 308.275 1.570 20 30 DDEDLN CN(CCCNc1ccc(C#N)nn1)C(=O)C(F)C(F)(F)F ZINC001109645818 763907587 /nfs/dbraw/zinc/90/75/87/763907587.db2.gz VRGIGAJYQTWJJD-SNVBAGLBSA-N 0 2 319.262 1.509 20 30 DDEDLN CN(CCCNc1ccc(C#N)nn1)C(=O)[C@@H](F)C(F)(F)F ZINC001109645818 763907593 /nfs/dbraw/zinc/90/75/93/763907593.db2.gz VRGIGAJYQTWJJD-SNVBAGLBSA-N 0 2 319.262 1.509 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccc(C#N)nc1 ZINC001113934710 766426117 /nfs/dbraw/zinc/42/61/17/766426117.db2.gz PVTOGKTXKUVYKK-LDYMZIIASA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1ccc(C#N)nc1 ZINC001113934710 766426120 /nfs/dbraw/zinc/42/61/20/766426120.db2.gz PVTOGKTXKUVYKK-LDYMZIIASA-N 0 2 318.274 1.795 20 30 DDEDLN C=C[C@@H]1C[C@]1(Nc1cccc[nH+]1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001170740350 770814013 /nfs/dbraw/zinc/81/40/13/770814013.db2.gz JTVGZUKOABLZCT-QMTHXVAHSA-N 0 2 307.375 1.047 20 30 DDEDLN N#CCN1CC(OC2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001093537521 774801178 /nfs/dbraw/zinc/80/11/78/774801178.db2.gz YGUFKGDDFSPHEV-NSHDSACASA-N 0 2 323.290 1.102 20 30 DDEDLN N#CCN1CC(OC2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC001093537521 774801183 /nfs/dbraw/zinc/80/11/83/774801183.db2.gz YGUFKGDDFSPHEV-NSHDSACASA-N 0 2 323.290 1.102 20 30 DDEDLN N#Cc1cnc(NCCNC(=O)C(F)C(F)(F)F)c(F)c1 ZINC001094182953 775522843 /nfs/dbraw/zinc/52/28/43/775522843.db2.gz VTOITNIIQLYPNS-MRVPVSSYSA-N 0 2 308.210 1.521 20 30 DDEDLN N#Cc1cnc(NCCNC(=O)[C@@H](F)C(F)(F)F)c(F)c1 ZINC001094182953 775522848 /nfs/dbraw/zinc/52/28/48/775522848.db2.gz VTOITNIIQLYPNS-MRVPVSSYSA-N 0 2 308.210 1.521 20 30 DDEDLN N#CC1=C(Nc2cnn(CCN3CCOCC3)c2)SCC1=O ZINC001174489454 777482797 /nfs/dbraw/zinc/48/27/97/777482797.db2.gz AXALITCZNWYLNP-UHFFFAOYSA-N 0 2 319.390 1.598 20 30 DDEDLN Cc1cc(C[N@@H+]2CC[C@H]3CN(Cc4cc(C#N)n(C)c4)C[C@H]32)[nH]n1 ZINC001275208315 852890013 /nfs/dbraw/zinc/89/00/13/852890013.db2.gz JISYEJJHNFXMAQ-MAUKXSAKSA-N 0 2 324.432 1.635 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC001072631065 857535440 /nfs/dbraw/zinc/53/54/40/857535440.db2.gz KXPVHTIFEMDJAX-UHFFFAOYSA-N 0 2 310.785 1.324 20 30 DDEDLN C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)c3n[nH]c(C)c3[O-])C2)C1 ZINC001072631065 857535446 /nfs/dbraw/zinc/53/54/46/857535446.db2.gz KXPVHTIFEMDJAX-UHFFFAOYSA-N 0 2 310.785 1.324 20 30 DDEDLN N#C[C@@H](C(=O)[C@@H]1COCCN1CC(F)F)c1cccc(F)n1 ZINC001122722870 858948020 /nfs/dbraw/zinc/94/80/20/858948020.db2.gz JVUYQLASPUQGQI-KOLCDFICSA-N 0 2 313.279 1.363 20 30 DDEDLN C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CCOC ZINC001332914085 866249996 /nfs/dbraw/zinc/24/99/96/866249996.db2.gz OOWKQLLTNILTGW-OAHLLOKOSA-N 0 2 320.437 1.086 20 30 DDEDLN CCOC(=O)[C@@H]1CC[C@H](Oc2[nH]c(=O)cc(C)c2C#N)CO1 ZINC001226222045 882289621 /nfs/dbraw/zinc/28/96/21/882289621.db2.gz TYUSOQMDWBIKJY-JQWIXIFHSA-N 0 2 306.318 1.457 20 30 DDEDLN C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001317505088 870939892 /nfs/dbraw/zinc/93/98/92/870939892.db2.gz MFTOHMFMPSTGBJ-CYBMUJFWSA-N 0 2 319.409 1.359 20 30 DDEDLN C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001317505088 870939911 /nfs/dbraw/zinc/93/99/11/870939911.db2.gz MFTOHMFMPSTGBJ-CYBMUJFWSA-N 0 2 319.409 1.359 20 30 DDEDLN C=C[C@H](Oc1[nH]c(=O)nc2c(=O)[nH]c(=O)[nH]c21)c1ccccc1 ZINC001226886525 882701766 /nfs/dbraw/zinc/70/17/66/882701766.db2.gz OOMNXSBDXJBEMS-VIFPVBQESA-N 0 2 312.285 1.843 20 30 DDEDLN C=CCOCC(COCC=C)Oc1[nH]c(=O)nc2nccnc21 ZINC001226991344 882765255 /nfs/dbraw/zinc/76/52/55/882765255.db2.gz LPGLICYGFUNPRL-UHFFFAOYSA-N 0 2 318.333 1.278 20 30 DDEDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(F)cc1F ZINC001413877500 880233522 /nfs/dbraw/zinc/23/35/22/880233522.db2.gz FSCVJBNVFKRCIQ-ZETCQYMHSA-N 0 2 306.272 1.397 20 30 DDEDLN CC(C)C#CC(=O)N(C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001358728926 880817451 /nfs/dbraw/zinc/81/74/51/880817451.db2.gz DRWCFJCLBUEDRT-LLVKDONJSA-N 0 2 308.275 1.215 20 30 DDEDLN CC(C)C#CC(=O)N(C)C1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001358728926 880817466 /nfs/dbraw/zinc/81/74/66/880817466.db2.gz DRWCFJCLBUEDRT-LLVKDONJSA-N 0 2 308.275 1.215 20 30 DDEDLN C=CCOC[C@H](CS(=O)(=O)[O-])OCc1cc(C)[nH+]c(C)c1 ZINC001223422659 880955757 /nfs/dbraw/zinc/95/57/57/880955757.db2.gz YKXZTZREOTXHGI-CQSZACIVSA-N 0 2 315.391 1.674 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)N(CCC(N)=O)c1ccccc1 ZINC001362203608 883288671 /nfs/dbraw/zinc/28/86/71/883288671.db2.gz UXACVSUVJBTPGY-UHFFFAOYSA-N 0 2 324.340 1.490 20 30 DDEDLN N#Cc1c(F)cc(CNC(=O)C[C@@H]2SC(=N)NC2=O)cc1F ZINC001362706484 884453984 /nfs/dbraw/zinc/45/39/84/884453984.db2.gz PNOLJQMLKAMSCO-JTQLQIEISA-N 0 2 324.312 1.009 20 30 DDEDLN C#CCCCC(=O)N(C)C[C@@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001289961948 913296993 /nfs/dbraw/zinc/29/69/93/913296993.db2.gz PAZJTBBJTFSNBR-CMPLNLGQSA-N 0 2 322.302 1.750 20 30 DDEDLN C#CCCCC(=O)N(C)C[C@@H]1CCN1C(=O)[C@@H](F)C(F)(F)F ZINC001289961948 913297013 /nfs/dbraw/zinc/29/70/13/913297013.db2.gz PAZJTBBJTFSNBR-CMPLNLGQSA-N 0 2 322.302 1.750 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)CCC1=O ZINC001258914478 898358183 /nfs/dbraw/zinc/35/81/83/898358183.db2.gz KKEIGBLOBWXJSK-MRVPVSSYSA-N 0 2 316.741 1.582 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2cccc3cnccc32)CCC1=O ZINC001259155001 898492589 /nfs/dbraw/zinc/49/25/89/898492589.db2.gz UWVCLUJTVOINKG-GFCCVEGCSA-N 0 2 315.354 1.338 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)c2cccc3nonc32)ccc1O ZINC001260441061 899143942 /nfs/dbraw/zinc/14/39/42/899143942.db2.gz LGISFTKKALEXBH-UHFFFAOYSA-N 0 2 316.298 1.601 20 30 DDEDLN N#Cc1ccc(CN2CC(NC(=O)C(F)C(F)(F)F)C2)cc1 ZINC001391420680 901707226 /nfs/dbraw/zinc/70/72/26/901707226.db2.gz JXQXZKNTGAHXRE-GFCCVEGCSA-N 0 2 315.270 1.759 20 30 DDEDLN N#Cc1ccc(CN2CC(NC(=O)[C@@H](F)C(F)(F)F)C2)cc1 ZINC001391420680 901707236 /nfs/dbraw/zinc/70/72/36/901707236.db2.gz JXQXZKNTGAHXRE-GFCCVEGCSA-N 0 2 315.270 1.759 20 30 DDEDLN C#CC[NH+]1CCC(N(CCC)C(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001265337502 901900379 /nfs/dbraw/zinc/90/03/79/901900379.db2.gz LWNAIPRUCMEVRV-UHFFFAOYSA-N 0 2 304.394 1.374 20 30 DDEDLN CNC(=O)c1cccc(CCC(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000161813332 290789566 /nfs/dbraw/zinc/78/95/66/290789566.db2.gz JHTRVYOKWYADLK-UHFFFAOYSA-N 0 2 322.328 1.084 20 30 DDEDLN N#Cc1cccc(NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)c1 ZINC000048366132 352537032 /nfs/dbraw/zinc/53/70/32/352537032.db2.gz QFCPETTWKJSPQT-UHFFFAOYSA-N 0 2 307.269 1.148 20 30 DDEDLN C#CCNC(=O)c1ccccc1NS(=O)(=O)N(C)CCCC ZINC000172487237 198103960 /nfs/dbraw/zinc/10/39/60/198103960.db2.gz JXEIPDAWXZMMAM-UHFFFAOYSA-N 0 2 323.418 1.438 20 30 DDEDLN N#Cc1ccncc1N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000592421137 355578354 /nfs/dbraw/zinc/57/83/54/355578354.db2.gz NWXGGVCTNKTPBG-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC1N=NC(=O)O1 ZINC000598746771 357714296 /nfs/dbraw/zinc/71/42/96/357714296.db2.gz VAVHALKOPJZAPQ-SECBINFHSA-N 0 2 302.290 1.073 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cnn3c2CCCC3)s1 ZINC000601979614 358764558 /nfs/dbraw/zinc/76/45/58/358764558.db2.gz QMIYHLGDPZYTRU-UHFFFAOYSA-N 0 2 308.388 1.953 20 30 DDEDLN N#C[C@]1(NC(=O)C2=NN(c3ccccc3)CC2=O)CCSC1 ZINC000610337418 360417074 /nfs/dbraw/zinc/41/70/74/360417074.db2.gz HZHFAMQURFUDKX-OAHLLOKOSA-N 0 2 314.370 1.707 20 30 DDEDLN CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000613019249 361243469 /nfs/dbraw/zinc/24/34/69/361243469.db2.gz XPHUQFYCLIBFTA-AWEZNQCLSA-N 0 2 323.343 1.976 20 30 DDEDLN N#Cc1nc(NC(=O)COc2ccc(F)cc2Cl)[nH]c1C#N ZINC000026271939 248185099 /nfs/dbraw/zinc/18/50/99/248185099.db2.gz IHADXUDDFGMFDI-UHFFFAOYSA-N 0 2 319.683 1.963 20 30 DDEDLN CC[C@@H]1CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C[C@H]1O ZINC000340822863 251229461 /nfs/dbraw/zinc/22/94/61/251229461.db2.gz PCOGUWCOQIFSTC-LDYMZIIASA-N 0 2 307.375 1.224 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)[nH]c1C#N ZINC000029667181 406925926 /nfs/dbraw/zinc/92/59/26/406925926.db2.gz RFTPWIZCOWLHOC-UHFFFAOYSA-N 0 2 321.275 1.935 20 30 DDEDLN COc1ccc(CCC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1F ZINC000045579522 407046379 /nfs/dbraw/zinc/04/63/79/407046379.db2.gz SCUGSIREOZGQNW-UHFFFAOYSA-N 0 2 313.292 1.872 20 30 DDEDLN CC[C@H]1CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C[C@H](C)O1 ZINC000111644539 407413639 /nfs/dbraw/zinc/41/36/39/407413639.db2.gz UEMFKZIRJRTXGB-ONGXEEELSA-N 0 2 321.402 1.608 20 30 DDEDLN Cc1cc(O)c(C(=O)C=Cc2cn(C)nc2C(C)(C)C)c(=O)o1 ZINC000180308277 407875401 /nfs/dbraw/zinc/87/54/01/407875401.db2.gz IFCYKGDJZUCXED-UZYOAWRESA-N 0 2 316.357 1.946 20 30 DDEDLN CC(C)[C@H]1C[C@H](CC(=O)Nc2nc(C#N)c(C#N)[nH]2)CCO1 ZINC000272916943 408016723 /nfs/dbraw/zinc/01/67/23/408016723.db2.gz SLDXQOZUGLIYBM-ZWNOBZJWSA-N 0 2 301.350 1.933 20 30 DDEDLN Cc1c(S(=O)(=O)Nc2ccccc2O[C@@H](C)C#N)cnn1C ZINC000291973342 408955251 /nfs/dbraw/zinc/95/52/51/408955251.db2.gz UBWXLBJEZGZTBZ-JTQLQIEISA-N 0 2 320.374 1.820 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)nn1 ZINC000354123818 409675248 /nfs/dbraw/zinc/67/52/48/409675248.db2.gz CSCMRPZXQFODNJ-UHFFFAOYSA-N 0 2 324.749 1.811 20 30 DDEDLN COC[C@@](C)(NS(=O)(=O)c1ccc(C#N)o1)C(F)(F)F ZINC000342550371 409714420 /nfs/dbraw/zinc/71/44/20/409714420.db2.gz BBZJPFINWBYRES-SECBINFHSA-N 0 2 312.269 1.397 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)C[C@H]2CCCO2)cc1C#N ZINC000342882822 409970164 /nfs/dbraw/zinc/97/01/64/409970164.db2.gz JIOAJTMKXGWSOC-SNVBAGLBSA-N 0 2 307.375 1.632 20 30 DDEDLN C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)C1 ZINC000329115650 410110124 /nfs/dbraw/zinc/11/01/24/410110124.db2.gz SWAJSFOGZFNPNV-LLVKDONJSA-N 0 2 303.322 1.096 20 30 DDEDLN C[N@H+]1CCO[C@@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)C1 ZINC000329115650 410110128 /nfs/dbraw/zinc/11/01/28/410110128.db2.gz SWAJSFOGZFNPNV-LLVKDONJSA-N 0 2 303.322 1.096 20 30 DDEDLN C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC000329115650 410110132 /nfs/dbraw/zinc/11/01/32/410110132.db2.gz SWAJSFOGZFNPNV-LLVKDONJSA-N 0 2 303.322 1.096 20 30 DDEDLN C[N@H+]1CCO[C@@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[n-]3)c2)C1 ZINC000329115650 410110137 /nfs/dbraw/zinc/11/01/37/410110137.db2.gz SWAJSFOGZFNPNV-LLVKDONJSA-N 0 2 303.322 1.096 20 30 DDEDLN C=CCN1CC[C@@H](N(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000355671790 410632286 /nfs/dbraw/zinc/63/22/86/410632286.db2.gz WQLKXZODQHXLJW-CYBMUJFWSA-N 0 2 319.317 1.159 20 30 DDEDLN CC(C)Oc1ccc(NS(=O)(=O)c2cccc(C#N)c2)nn1 ZINC000194983555 222189010 /nfs/dbraw/zinc/18/90/10/222189010.db2.gz LJWVUQNYCCZCQE-UHFFFAOYSA-N 0 2 318.358 1.936 20 30 DDEDLN CC(C)C/N=C1/NC(=O)[C@H](CC(=O)NCC(F)(F)F)S1 ZINC000195215974 222193786 /nfs/dbraw/zinc/19/37/86/222193786.db2.gz CNNGYYWEZDMISJ-ZETCQYMHSA-N 0 2 311.329 1.299 20 30 DDEDLN N#Cc1ccc(F)c(CNS(=O)(=O)NCC(F)(F)F)c1 ZINC000195312648 222197832 /nfs/dbraw/zinc/19/78/32/222197832.db2.gz VIEYUHHRLNNPTQ-UHFFFAOYSA-N 0 2 311.260 1.184 20 30 DDEDLN N#C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCN1C1CC1 ZINC000375801283 418687251 /nfs/dbraw/zinc/68/72/51/418687251.db2.gz IRDIGEOOEBMRGS-LLVKDONJSA-N 0 2 316.317 1.113 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1c(C)nn(C)c1C ZINC000361643546 418695498 /nfs/dbraw/zinc/69/54/98/418695498.db2.gz HRUYXXWGNJWDEH-UHFFFAOYSA-N 0 2 320.374 1.718 20 30 DDEDLN COCCn1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000427119477 419597395 /nfs/dbraw/zinc/59/73/95/419597395.db2.gz JPVPQHPPIIQCCX-UHFFFAOYSA-N 0 2 324.337 1.341 20 30 DDEDLN CO[C@H]1C[C@H](NC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1(C)C ZINC000440136378 420556246 /nfs/dbraw/zinc/55/62/46/420556246.db2.gz MVGPBRKAOCBBBO-QWRGUYRKSA-N 0 2 321.402 1.924 20 30 DDEDLN N#CCc1ccnc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000562374100 421359253 /nfs/dbraw/zinc/35/92/53/421359253.db2.gz WSPMDJMUNKOXSI-UHFFFAOYSA-N 0 2 316.317 1.959 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1cc2ccccn2n1 ZINC000552037012 421569205 /nfs/dbraw/zinc/56/92/05/421569205.db2.gz OUGIFEBWPCHXPR-UHFFFAOYSA-N 0 2 312.354 2.315 20 30 DDEDLN Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)ncc1C#N ZINC000518193413 421642565 /nfs/dbraw/zinc/64/25/65/421642565.db2.gz INWNJZJQDOZPII-SNVBAGLBSA-N 0 2 312.333 1.105 20 30 DDEDLN CCNc1ccc(C#N)cc1NS(=O)(=O)c1c(C)cnn1C ZINC000350938105 266173106 /nfs/dbraw/zinc/17/31/06/266173106.db2.gz IMRILTMZSGDWPL-UHFFFAOYSA-N 0 2 319.390 1.833 20 30 DDEDLN Cc1cc(=O)cc(C)n1CCCC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000352609122 267301903 /nfs/dbraw/zinc/30/19/03/267301903.db2.gz DONFYTJPWOWBFU-UHFFFAOYSA-N 0 2 324.344 1.351 20 30 DDEDLN Cc1cc(C#N)ccc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000556791258 303756406 /nfs/dbraw/zinc/75/64/06/303756406.db2.gz MCEQJOPOPSFDOZ-UHFFFAOYSA-N 0 2 311.345 1.710 20 30 DDEDLN Cc1cc(C)c(C)c(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)c1C ZINC000572960020 308229243 /nfs/dbraw/zinc/22/92/43/308229243.db2.gz NXCKCEQDBLXCBK-UHFFFAOYSA-N 0 2 311.341 1.525 20 30 DDEDLN N#Cc1ccnc(N2CC[NH+](Cc3cc(C(=O)[O-])co3)CC2)c1 ZINC000739143080 599846239 /nfs/dbraw/zinc/84/62/39/599846239.db2.gz WTEQGRYYIOMNCD-UHFFFAOYSA-N 0 2 312.329 1.567 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2NCCN(C(=O)[O-])C1CC1 ZINC000740308840 602041135 /nfs/dbraw/zinc/04/11/35/602041135.db2.gz QTWHRLUEBFIGCT-UHFFFAOYSA-N 0 2 315.337 1.294 20 30 DDEDLN CC(=O)N1CCC[N@H+](Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833392635 604599194 /nfs/dbraw/zinc/59/91/94/604599194.db2.gz CVXYLKFKDQYDRP-UHFFFAOYSA-N 0 2 301.346 1.311 20 30 DDEDLN CC(=O)N1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)CC1 ZINC000833392635 604599196 /nfs/dbraw/zinc/59/91/96/604599196.db2.gz CVXYLKFKDQYDRP-UHFFFAOYSA-N 0 2 301.346 1.311 20 30 DDEDLN C[C@H](OC[C@@H]1CCCCO1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000122542906 696722694 /nfs/dbraw/zinc/72/26/94/696722694.db2.gz OEGPKAHLTXEZPL-RWMBFGLXSA-N 0 2 319.361 1.286 20 30 DDEDLN COc1ccccc1CCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000122888009 696726181 /nfs/dbraw/zinc/72/61/81/696726181.db2.gz HVHGOKWNFGVONS-ZDUSSCGKSA-N 0 2 311.341 1.953 20 30 DDEDLN CC(C)(C)c1cnc(C(C#N)C(=O)CN2CCOCC2=O)s1 ZINC000797568806 700014980 /nfs/dbraw/zinc/01/49/80/700014980.db2.gz LZUURFXOQXSXGD-SNVBAGLBSA-N 0 2 321.402 1.476 20 30 DDEDLN Cc1cccc2[nH]c([C@@H](C#N)C(=O)Cn3ccc([N+](=O)[O-])n3)nc21 ZINC000735793489 699702946 /nfs/dbraw/zinc/70/29/46/699702946.db2.gz UEZKCAUNACHLEF-JTQLQIEISA-N 0 2 324.300 1.853 20 30 DDEDLN Cc1cccc2nc([C@@H](C#N)C(=O)Cn3ccc([N+](=O)[O-])n3)[nH]c21 ZINC000735793489 699702948 /nfs/dbraw/zinc/70/29/48/699702948.db2.gz UEZKCAUNACHLEF-JTQLQIEISA-N 0 2 324.300 1.853 20 30 DDEDLN CN(C)c1ccc2c(c1)NC(=O)C2=[NH+][N-]c1nc2ccccn2n1 ZINC000761831770 700870652 /nfs/dbraw/zinc/87/06/52/700870652.db2.gz UXXPONGYMMHSBP-UHFFFAOYSA-N 0 2 321.344 1.564 20 30 DDEDLN CCCC(C#N)(CCC)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000762607411 700900132 /nfs/dbraw/zinc/90/01/32/700900132.db2.gz CRPPNVOYUACMOU-UHFFFAOYSA-N 0 2 316.365 1.050 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2cnn(CC#N)c2)ccc1C#N ZINC000766548630 701055820 /nfs/dbraw/zinc/05/58/20/701055820.db2.gz SCKIUNPMXPMJHS-UHFFFAOYSA-N 0 2 301.331 1.388 20 30 DDEDLN Cc1cc(C#N)cnc1C(=O)NN1CCc2ccccc2C1=O ZINC000816007167 701989337 /nfs/dbraw/zinc/98/93/37/701989337.db2.gz ZWJOJBJEYTXMHF-UHFFFAOYSA-N 0 2 306.325 1.605 20 30 DDEDLN C=CCC(F)(F)C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O ZINC000816106356 702014681 /nfs/dbraw/zinc/01/46/81/702014681.db2.gz IVPLHSNQSUYKKH-AWEZNQCLSA-N 0 2 323.299 1.696 20 30 DDEDLN CCOC1CC2(C[C@H]2C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000870242626 703970777 /nfs/dbraw/zinc/97/07/77/703970777.db2.gz FZRFNCDQWBQLSV-QNGPIJNLSA-N 0 2 301.346 1.517 20 30 DDEDLN CCO[C@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C1CCOCC1 ZINC000870244221 703971380 /nfs/dbraw/zinc/97/13/80/703971380.db2.gz VXEZOJBLJWTRLL-WFASDCNBSA-N 0 2 319.361 1.143 20 30 DDEDLN N#CC1(NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)CCC1 ZINC000858812827 704760637 /nfs/dbraw/zinc/76/06/37/704760637.db2.gz UQZCMWGRBUNKOR-UHFFFAOYSA-N 0 2 315.251 1.634 20 30 DDEDLN C=CC[C@H](CO)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000860800487 705286258 /nfs/dbraw/zinc/28/62/58/705286258.db2.gz WOHZERZCINFPAA-MRVPVSSYSA-N 0 2 320.267 1.125 20 30 DDEDLN N#Cc1nccn1CC(=O)C1(NC(=O)C(F)(F)F)CCCC1 ZINC000829391297 706326214 /nfs/dbraw/zinc/32/62/14/706326214.db2.gz ZJCBMUUDCKHGOR-UHFFFAOYSA-N 0 2 314.267 1.315 20 30 DDEDLN CCc1nn(C)cc1S(=O)(=O)Nc1cc(C)cc(C#N)c1 ZINC000882737207 707767456 /nfs/dbraw/zinc/76/74/56/707767456.db2.gz CMQSKNYXVYBDQX-UHFFFAOYSA-N 0 2 304.375 1.963 20 30 DDEDLN C=CCCONC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000912627648 713054808 /nfs/dbraw/zinc/05/48/08/713054808.db2.gz IEHSAMRUNMVXKG-UHFFFAOYSA-N 0 2 316.404 1.050 20 30 DDEDLN C#CC(=O)NCC[C@@H]1C(=O)N(Cc2ccccc2C)N=C1CC ZINC000898727556 708842171 /nfs/dbraw/zinc/84/21/71/708842171.db2.gz YZDIEDUOJVNANF-HNNXBMFYSA-N 0 2 311.385 1.859 20 30 DDEDLN C=CCOC[C@H](NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1)C(=O)[O-] ZINC000909770046 709610251 /nfs/dbraw/zinc/61/02/51/709610251.db2.gz DQTVAYTZCVQPLF-QWHCGFSZSA-N 0 2 309.366 1.242 20 30 DDEDLN C=C(C)C[N@H+](Cc1cn(CC(=O)[O-])nn1)Cc1ccccc1 ZINC000902292631 710701048 /nfs/dbraw/zinc/70/10/48/710701048.db2.gz DUNRNDQZGCRVMP-UHFFFAOYSA-N 0 2 300.362 1.941 20 30 DDEDLN C=C(C)C[N@@H+](Cc1cn(CC(=O)[O-])nn1)Cc1ccccc1 ZINC000902292631 710701051 /nfs/dbraw/zinc/70/10/51/710701051.db2.gz DUNRNDQZGCRVMP-UHFFFAOYSA-N 0 2 300.362 1.941 20 30 DDEDLN C#CCCCS(=O)(=O)Nc1nnn(-c2ccc(F)cc2)c1C ZINC000903183605 711057527 /nfs/dbraw/zinc/05/75/27/711057527.db2.gz DVXLLYMVKXDXNM-UHFFFAOYSA-N 0 2 322.365 1.870 20 30 DDEDLN C=CCOCC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC000913559466 713260118 /nfs/dbraw/zinc/26/01/18/713260118.db2.gz KBNAFZAQFQMEBM-GFCCVEGCSA-N 0 2 302.334 1.113 20 30 DDEDLN CN(C)c1nc(Cl)c(CN=Nc2ncnc3[nH]cnc32)s1 ZINC000917555222 713503266 /nfs/dbraw/zinc/50/32/66/713503266.db2.gz IBJNGUYGSRTDGS-UHFFFAOYSA-N 0 2 322.785 1.975 20 30 DDEDLN O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC000937139403 715282539 /nfs/dbraw/zinc/28/25/39/715282539.db2.gz XANDDINGEYXHCB-JBLDHEPKSA-N 0 2 318.270 1.112 20 30 DDEDLN O=C(C#CC1CC1)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)C(F)(F)F ZINC000937139403 715282541 /nfs/dbraw/zinc/28/25/41/715282541.db2.gz XANDDINGEYXHCB-JBLDHEPKSA-N 0 2 318.270 1.112 20 30 DDEDLN C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000968925442 719874694 /nfs/dbraw/zinc/87/46/94/719874694.db2.gz DHMWURZFWOIBRK-JKSUJKDBSA-N 0 2 316.449 1.992 20 30 DDEDLN C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC000972573827 735262599 /nfs/dbraw/zinc/26/25/99/735262599.db2.gz SZJWMYHAFNKQRR-QGZVFWFLSA-N 0 2 318.421 1.222 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnc(C)[nH]3)C[C@@H]2C1 ZINC001087910176 740848444 /nfs/dbraw/zinc/84/84/44/740848444.db2.gz RWKCESVPEKUXRW-OLZOCXBDSA-N 0 2 308.813 1.865 20 30 DDEDLN C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188056974 744653064 /nfs/dbraw/zinc/65/30/64/744653064.db2.gz ICRQKCSWCHYNHL-NWDGAFQWSA-N 0 2 319.409 1.145 20 30 DDEDLN C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188056974 744653067 /nfs/dbraw/zinc/65/30/67/744653067.db2.gz ICRQKCSWCHYNHL-NWDGAFQWSA-N 0 2 319.409 1.145 20 30 DDEDLN O=C(NC(=NO)c1ccc(OC(F)(F)F)cc1)c1nc[nH]n1 ZINC001188703940 744752068 /nfs/dbraw/zinc/75/20/68/744752068.db2.gz HQCQBQXYYZMOQG-UHFFFAOYSA-N 0 2 315.211 1.269 20 30 DDEDLN C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)C/C=C/Cl)C1 ZINC001190724971 745306862 /nfs/dbraw/zinc/30/68/62/745306862.db2.gz OIGYCMXLSPENQD-ZRJDUIELSA-N 0 2 309.841 1.369 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2cnn(C)c2C#N)cnc1Cl ZINC001192534418 745824820 /nfs/dbraw/zinc/82/48/20/745824820.db2.gz RAMRXSGHFWJUGB-UHFFFAOYSA-N 0 2 311.754 1.449 20 30 DDEDLN COC(=O)n1ncc(C#N)c1NC(=O)c1ccc(O)c(C#N)c1 ZINC001193515778 746131555 /nfs/dbraw/zinc/13/15/55/746131555.db2.gz SBUVSGGUFDBBJL-UHFFFAOYSA-N 0 2 311.257 1.199 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ncc(C)c(C)n2)c1 ZINC001193635621 746156613 /nfs/dbraw/zinc/15/66/13/746156613.db2.gz BUSHGOFCVAIHNQ-UHFFFAOYSA-N 0 2 318.358 1.775 20 30 DDEDLN C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H]1C ZINC000994214455 746489671 /nfs/dbraw/zinc/48/96/71/746489671.db2.gz UBJOULWAVAEVFV-GHMZBOCLSA-N 0 2 314.345 1.144 20 30 DDEDLN C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H]1C ZINC000994214455 746489674 /nfs/dbraw/zinc/48/96/74/746489674.db2.gz UBJOULWAVAEVFV-GHMZBOCLSA-N 0 2 314.345 1.144 20 30 DDEDLN COC(=O)CCCCS(=O)(=O)Nc1ccsc1C#N ZINC001196922583 746997836 /nfs/dbraw/zinc/99/78/36/746997836.db2.gz OFNRPZZOMRQQJJ-UHFFFAOYSA-N 0 2 302.377 1.705 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001110603904 748817459 /nfs/dbraw/zinc/81/74/59/748817459.db2.gz VGRDRPCRCMWZEL-UTUOFQBUSA-N 0 2 319.409 1.334 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1n[nH]c(=O)[n-]1 ZINC001110603904 748817466 /nfs/dbraw/zinc/81/74/66/748817466.db2.gz VGRDRPCRCMWZEL-UTUOFQBUSA-N 0 2 319.409 1.334 20 30 DDEDLN N#Cc1nccnc1NC/C=C\CNC(=O)C(F)C(F)(F)F ZINC001107560926 750139736 /nfs/dbraw/zinc/13/97/36/750139736.db2.gz FRNOPDCRTUURLJ-IYABHPQVSA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1nccnc1NC/C=C\CNC(=O)[C@H](F)C(F)(F)F ZINC001107560926 750139739 /nfs/dbraw/zinc/13/97/39/750139739.db2.gz FRNOPDCRTUURLJ-IYABHPQVSA-N 0 2 317.246 1.333 20 30 DDEDLN CC#CCN1CCO[C@](C)(CNC(=O)C(F)C(F)(F)F)C1 ZINC001107955905 750900247 /nfs/dbraw/zinc/90/02/47/750900247.db2.gz CIXGQOCVQHSQKT-ZYHUDNBSSA-N 0 2 310.291 1.117 20 30 DDEDLN CCOC(=O)c1ccnnc1Nc1c(C#N)cnn1C(=O)OC ZINC001169962554 762778184 /nfs/dbraw/zinc/77/81/84/762778184.db2.gz SMYOYYULZAENHT-UHFFFAOYSA-N 0 2 316.277 1.080 20 30 DDEDLN C#CCN(CC)c1nnc(-c2c[nH]n(CC)c2=O)n1CC=C ZINC001121595362 782582648 /nfs/dbraw/zinc/58/26/48/782582648.db2.gz AHIFUJPZCNHWBH-UHFFFAOYSA-N 0 2 300.366 1.513 20 30 DDEDLN C#CCCCCC(=O)N[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001285636013 843171506 /nfs/dbraw/zinc/17/15/06/843171506.db2.gz ZGQZSRDZQJVWJN-MWLCHTKSSA-N 0 2 310.291 1.701 20 30 DDEDLN C#CCCCCC(=O)N[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001285636013 843171512 /nfs/dbraw/zinc/17/15/12/843171512.db2.gz ZGQZSRDZQJVWJN-MWLCHTKSSA-N 0 2 310.291 1.701 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)[N-]OC2CC[NH+](C)CC2)cc1C#N ZINC001327429554 862168972 /nfs/dbraw/zinc/16/89/72/862168972.db2.gz WAOSHEZZNHHQCJ-UHFFFAOYSA-N 0 2 322.390 1.136 20 30 DDEDLN C=CCS(=O)(=O)Nc1cc(S(=O)(=O)CC)ccc1O ZINC001259921178 856630743 /nfs/dbraw/zinc/63/07/43/856630743.db2.gz BHSJZVXHIXSYDH-UHFFFAOYSA-N 0 2 305.377 1.114 20 30 DDEDLN C#C[C@H]1CCCCN1c1nnc(-c2c[nH]n(CC)c2=O)n1CC ZINC001121892154 858620710 /nfs/dbraw/zinc/62/07/10/858620710.db2.gz CWCFMIVLQLCWRY-LBPRGKRZSA-N 0 2 314.393 1.879 20 30 DDEDLN C#C[C@H](C)N(C)c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001351095858 876053859 /nfs/dbraw/zinc/05/38/59/876053859.db2.gz VDARDFPSPBSLRZ-VIFPVBQESA-N 0 2 301.306 1.554 20 30 DDEDLN O=C1C=C[C@H](Oc2nc(I)cc(=O)[nH]2)C1 ZINC001228948584 883744399 /nfs/dbraw/zinc/74/43/99/883744399.db2.gz DEOWCPHLQQOYIU-LURJTMIESA-N 0 2 318.070 1.063 20 30 DDEDLN C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001384550052 887664450 /nfs/dbraw/zinc/66/44/50/887664450.db2.gz ZENSTFALOAWXIU-LURQLKTLSA-N 0 2 309.263 1.057 20 30 DDEDLN C[C@H](C#N)C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001384550052 887664457 /nfs/dbraw/zinc/66/44/57/887664457.db2.gz ZENSTFALOAWXIU-LURQLKTLSA-N 0 2 309.263 1.057 20 30 DDEDLN N#Cc1c[n-]n2c1nc(C[N@@H+]1CCO[C@@H](C(F)F)CC1)cc2=O ZINC001365318048 890576468 /nfs/dbraw/zinc/57/64/68/890576468.db2.gz SSRYEJAOLQHNCS-LLVKDONJSA-N 0 2 323.303 1.163 20 30 DDEDLN N#Cc1c[n-]n2c1nc(C[N@H+]1CCO[C@@H](C(F)F)CC1)cc2=O ZINC001365318048 890576484 /nfs/dbraw/zinc/57/64/84/890576484.db2.gz SSRYEJAOLQHNCS-LLVKDONJSA-N 0 2 323.303 1.163 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)NC(=O)c1cc(C#N)c[nH]1 ZINC001386304605 890753794 /nfs/dbraw/zinc/75/37/94/890753794.db2.gz MXSCWPACQWZXPP-HZGVNTEJSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)NC(=O)c1cc(C#N)c[nH]1 ZINC001386304605 890753808 /nfs/dbraw/zinc/75/38/08/890753808.db2.gz MXSCWPACQWZXPP-HZGVNTEJSA-N 0 2 320.246 1.021 20 30 DDEDLN N#Cc1cncc(NS(=O)(=O)CCc2cccc(F)c2)n1 ZINC001259767470 898788531 /nfs/dbraw/zinc/78/85/31/898788531.db2.gz NOXDAJBXZUZFKO-UHFFFAOYSA-N 0 2 306.322 1.472 20 30 DDEDLN COCCS(=O)(=O)Nc1c(Br)cccc1C#N ZINC001259971744 898995492 /nfs/dbraw/zinc/99/54/92/898995492.db2.gz PUGNEJMNPNGJDW-UHFFFAOYSA-N 0 2 319.180 1.709 20 30 DDEDLN Cc1nn(C)c(-n2cccn2)c1C(=O)[C@@H](C#N)c1cccc(F)n1 ZINC001263381548 900596869 /nfs/dbraw/zinc/59/68/69/900596869.db2.gz YQOOVAKCDRPNAG-NSHDSACASA-N 0 2 324.319 1.938 20 30 DDEDLN C=CCCC(=O)N1CC([C@H](C)NC(=O)C(F)C(F)(F)F)C1 ZINC001286198366 911815564 /nfs/dbraw/zinc/81/55/64/911815564.db2.gz DMCKPAADZUVZFR-GZMMTYOYSA-N 0 2 310.291 1.816 20 30 DDEDLN C=CCCC(=O)N1CC([C@H](C)NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001286198366 911815571 /nfs/dbraw/zinc/81/55/71/911815571.db2.gz DMCKPAADZUVZFR-GZMMTYOYSA-N 0 2 310.291 1.816 20 30 DDEDLN CC[C@]1(CO)CCCN1C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000331313099 529430724 /nfs/dbraw/zinc/43/07/24/529430724.db2.gz WBBNFULJKFTHDJ-OAHLLOKOSA-N 0 2 321.402 1.758 20 30 DDEDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC[C@H](C)C#N)=N1 ZINC000080481292 192160856 /nfs/dbraw/zinc/16/08/56/192160856.db2.gz MLXPJLFIXGGFKP-SECBINFHSA-N 0 2 302.309 1.915 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N(CCC#N)C(C)C)c1 ZINC000591758248 355378514 /nfs/dbraw/zinc/37/85/14/355378514.db2.gz LGCVLGGYMIYCFR-NRFANRHFSA-N 0 2 308.403 1.953 20 30 DDEDLN CC[C@@H](C)C[C@@H](CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000592875306 355727299 /nfs/dbraw/zinc/72/72/99/355727299.db2.gz SRYJJFKILHQNFW-KOLCDFICSA-N 0 2 323.418 1.908 20 30 DDEDLN CC(C)n1cnc(NS(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000593285285 355845307 /nfs/dbraw/zinc/84/53/07/355845307.db2.gz QIDZGRHLHYJSLO-UHFFFAOYSA-N 0 2 309.326 1.671 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1C#N ZINC000600443723 358222915 /nfs/dbraw/zinc/22/29/15/358222915.db2.gz IIWYTWJFLNXLTD-ARHDFHRDSA-N 0 2 321.402 1.922 20 30 DDEDLN C=CCCOCCNC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000613017905 361241867 /nfs/dbraw/zinc/24/18/67/361241867.db2.gz RHZTWOJMYAFQMK-UHFFFAOYSA-N 0 2 303.318 1.352 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H]2CCOC2)cc1C#N ZINC000337100004 249347333 /nfs/dbraw/zinc/34/73/33/249347333.db2.gz DDIGLOGKQMCCJK-BDAKNGLRSA-N 0 2 307.375 1.536 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCSC[C@@H]2C#N)cc1C#N ZINC000342412452 533076976 /nfs/dbraw/zinc/07/69/76/533076976.db2.gz XXEBXXWHEQHVLR-VIFPVBQESA-N 0 2 320.399 1.462 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ncc(C(N)=O)s1 ZINC000114850047 407624876 /nfs/dbraw/zinc/62/48/76/407624876.db2.gz SRICSDZWOQNCMM-UHFFFAOYSA-N 0 2 322.371 1.223 20 30 DDEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1cc(C#N)ccn1 ZINC000277824557 409018973 /nfs/dbraw/zinc/01/89/73/409018973.db2.gz JODULBRFUIWHHY-UHFFFAOYSA-N 0 2 300.240 1.349 20 30 DDEDLN C=CCCO[C@H](C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000289118952 409220636 /nfs/dbraw/zinc/22/06/36/409220636.db2.gz UAFGANUVQOSKIQ-SNVBAGLBSA-N 0 2 302.334 1.685 20 30 DDEDLN Cn1c(NS(=O)(=O)c2cccc(C#N)c2)nc2cccnc21 ZINC000342444971 409638789 /nfs/dbraw/zinc/63/87/89/409638789.db2.gz IQSADYIHUQZQAP-UHFFFAOYSA-N 0 2 313.342 1.641 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@H](NC(=O)NC(C)(C)C)C(C)C)c1C#N ZINC000357163588 409914781 /nfs/dbraw/zinc/91/47/81/409914781.db2.gz KZKZGQZPLSKDBY-LLVKDONJSA-N 0 2 320.397 1.651 20 30 DDEDLN CC(C)Cc1cc(NS(=O)(=O)c2cncc(C#N)c2)[nH]n1 ZINC000357369918 409996338 /nfs/dbraw/zinc/99/63/38/409996338.db2.gz LJACTVUOXNOHLN-UHFFFAOYSA-N 0 2 305.363 1.676 20 30 DDEDLN N#Cc1ncn(CCN=c2[nH]nc(Cc3ccccc3)s2)n1 ZINC000343520737 410507147 /nfs/dbraw/zinc/50/71/47/410507147.db2.gz OQELDKJUCIWTTF-UHFFFAOYSA-N 0 2 311.374 1.704 20 30 DDEDLN N#CCC1(O)CN(C(=O)c2ccc(Cl)c(Cl)c2O)C1 ZINC000193989725 222168319 /nfs/dbraw/zinc/16/83/19/222168319.db2.gz WVAYIIZBTHIWKV-UHFFFAOYSA-N 0 2 301.129 1.800 20 30 DDEDLN C#CCC[NH+]1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000368114853 418691682 /nfs/dbraw/zinc/69/16/82/418691682.db2.gz JYLFUVYJIAHKMV-KRWDZBQOSA-N 0 2 309.429 1.366 20 30 DDEDLN N#CCSc1ccccc1NC(=O)CSc1n[nH]c(=O)[nH]1 ZINC000361995997 418736872 /nfs/dbraw/zinc/73/68/72/418736872.db2.gz LLMZBKPERJBWBT-UHFFFAOYSA-N 0 2 321.387 1.857 20 30 DDEDLN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccc(C(N)=O)o1 ZINC000437561606 420410723 /nfs/dbraw/zinc/41/07/23/420410723.db2.gz WSHKJMUHWKHZMM-VIFPVBQESA-N 0 2 308.297 1.755 20 30 DDEDLN Cc1noc2ncc(NS(=O)(=O)c3ccc(C#N)nc3)cc12 ZINC000438771532 420464484 /nfs/dbraw/zinc/46/44/84/420464484.db2.gz HSDBRUAXGJQXSF-UHFFFAOYSA-N 0 2 315.314 1.599 20 30 DDEDLN C[C@@H]1CCN(c2cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)ccn2)C1 ZINC000438995176 420475349 /nfs/dbraw/zinc/47/53/49/420475349.db2.gz NAIJIEUTFWPGGG-SNVBAGLBSA-N 0 2 321.344 1.647 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000566732836 421608244 /nfs/dbraw/zinc/60/82/44/421608244.db2.gz JMJZELQKACQCEJ-GWCFXTLKSA-N 0 2 301.350 1.131 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cc4n(n3)CCO4)nc21 ZINC000570441597 421645857 /nfs/dbraw/zinc/64/58/57/421645857.db2.gz WROHHHPSFIVERS-VIFPVBQESA-N 0 2 308.301 1.345 20 30 DDEDLN N#Cc1cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)ccc1F ZINC000572143450 421766400 /nfs/dbraw/zinc/76/64/00/421766400.db2.gz ZYLYKTIAVCVQCH-SNVBAGLBSA-N 0 2 315.308 1.541 20 30 DDEDLN N#Cc1nc(NC(=O)CCOCC(F)(F)C(F)F)[nH]c1C#N ZINC000287689330 303215932 /nfs/dbraw/zinc/21/59/32/303215932.db2.gz TVQSNPSHNHVVEJ-UHFFFAOYSA-N 0 2 319.218 1.399 20 30 DDEDLN CC(C)(C)c1ccc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)cc1 ZINC000579832395 308560188 /nfs/dbraw/zinc/56/01/88/308560188.db2.gz AWOJQDATSHBNKX-UHFFFAOYSA-N 0 2 311.341 1.589 20 30 DDEDLN C=CCOCCNC(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000679586587 485931878 /nfs/dbraw/zinc/93/18/78/485931878.db2.gz RRSNPBKLXQDNOC-UHFFFAOYSA-N 0 2 319.336 1.958 20 30 DDEDLN C#CC(C)(C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000490650757 526660554 /nfs/dbraw/zinc/66/05/54/526660554.db2.gz PHTJSTQRCFZLNG-UHFFFAOYSA-N 0 2 315.398 1.847 20 30 DDEDLN C=CC[C@@H](CO)NC(=O)C1=NN(c2ccccc2CC)CC1=O ZINC000337045606 527100628 /nfs/dbraw/zinc/10/06/28/527100628.db2.gz FLYQZKUUFMKGGO-ZDUSSCGKSA-N 0 2 315.373 1.807 20 30 DDEDLN CCOC(=O)[C@@H](C)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000428148912 527719544 /nfs/dbraw/zinc/71/95/44/527719544.db2.gz YPPMDSDBVSORDY-QMMMGPOBSA-N 0 2 323.374 1.310 20 30 DDEDLN CCN(C)C(=O)[C@H](C)NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000331041057 527768603 /nfs/dbraw/zinc/76/86/03/527768603.db2.gz QIVCJIUAEWAMQX-QMMMGPOBSA-N 0 2 313.427 1.450 20 30 DDEDLN C[C@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000817771999 597473580 /nfs/dbraw/zinc/47/35/80/597473580.db2.gz BQJJPOPKQPYSOW-SNVBAGLBSA-N 0 2 307.375 1.646 20 30 DDEDLN C[C@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000817771999 597473582 /nfs/dbraw/zinc/47/35/82/597473582.db2.gz BQJJPOPKQPYSOW-SNVBAGLBSA-N 0 2 307.375 1.646 20 30 DDEDLN Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000818809137 597477352 /nfs/dbraw/zinc/47/73/52/597477352.db2.gz MQXVCWTWDRXDAX-AWEZNQCLSA-N 0 2 317.389 1.955 20 30 DDEDLN Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@@H](C)C(=O)[O-])c1 ZINC000818809137 597477356 /nfs/dbraw/zinc/47/73/56/597477356.db2.gz MQXVCWTWDRXDAX-AWEZNQCLSA-N 0 2 317.389 1.955 20 30 DDEDLN CCN(CCC#N)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000737094422 599861277 /nfs/dbraw/zinc/86/12/77/599861277.db2.gz QMXKHAQVFYZCSO-HNNXBMFYSA-N 0 2 319.361 1.173 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736079355 600101390 /nfs/dbraw/zinc/10/13/90/600101390.db2.gz LIQRICRIXROXPL-AWEZNQCLSA-N 0 2 302.330 1.186 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1 ZINC000736079355 600101392 /nfs/dbraw/zinc/10/13/92/600101392.db2.gz LIQRICRIXROXPL-AWEZNQCLSA-N 0 2 302.330 1.186 20 30 DDEDLN N#Cc1ccc([C@H]([NH2+]CC(=O)NCc2ccco2)C(=O)[O-])cc1 ZINC000739105947 600591543 /nfs/dbraw/zinc/59/15/43/600591543.db2.gz JYIOXDSWOLIILK-HNNXBMFYSA-N 0 2 313.313 1.183 20 30 DDEDLN Cc1cc(C)n(N=Cc2ccccc2C#N)c(=O)c1-c1nn[nH]n1 ZINC000826265638 607885362 /nfs/dbraw/zinc/88/53/62/607885362.db2.gz HUWSFUCXJNOTMS-UHFFFAOYSA-N 0 2 319.328 1.399 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCC(=O)c1ccccc1 ZINC000122590630 696723563 /nfs/dbraw/zinc/72/35/63/696723563.db2.gz FJSBTYDAFMIXCQ-ZDUSSCGKSA-N 0 2 309.325 1.975 20 30 DDEDLN C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1 ZINC000973049052 695404897 /nfs/dbraw/zinc/40/48/97/695404897.db2.gz XBIOIWUPFDDCHS-JTQLQIEISA-N 0 2 312.801 1.616 20 30 DDEDLN C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])C(C)(C)C1 ZINC000973049052 695404898 /nfs/dbraw/zinc/40/48/98/695404898.db2.gz XBIOIWUPFDDCHS-JTQLQIEISA-N 0 2 312.801 1.616 20 30 DDEDLN COc1ccc(CCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000119475276 696681175 /nfs/dbraw/zinc/68/11/75/696681175.db2.gz SBAZCRPBAGBNCJ-CQSZACIVSA-N 0 2 311.341 1.953 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)COc1ccc2c(c1)CCC2 ZINC000123291474 696730645 /nfs/dbraw/zinc/73/06/45/696730645.db2.gz QFCZMAXZLHAKBU-OAHLLOKOSA-N 0 2 323.352 1.879 20 30 DDEDLN COCc1nc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)cs1 ZINC000126312499 696761334 /nfs/dbraw/zinc/76/13/34/696761334.db2.gz GOGNJVJFSRPVFY-VIFPVBQESA-N 0 2 316.342 1.646 20 30 DDEDLN C#C[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)[C@@H]1CCCO1 ZINC000775339991 697984783 /nfs/dbraw/zinc/98/47/83/697984783.db2.gz LJPIOKVPUGDAKH-ZFWWWQNUSA-N 0 2 311.341 1.489 20 30 DDEDLN N#C[C@H]1CN(C(=O)c2c(O)cc(F)cc2F)CCN1C1CC1 ZINC000732678712 699566370 /nfs/dbraw/zinc/56/63/70/699566370.db2.gz KDYJAJYTRKTZCW-NSHDSACASA-N 0 2 307.300 1.483 20 30 DDEDLN CN(C(=O)COC(=O)c1cc(F)c(O)c(F)c1)C(C)(C)C#N ZINC000759536978 700757100 /nfs/dbraw/zinc/75/71/00/700757100.db2.gz GFMUSEIHFGHMPQ-UHFFFAOYSA-N 0 2 312.272 1.588 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)NCc2n[nH]c(-c3ccccc3)n2)c1 ZINC000809648066 701677929 /nfs/dbraw/zinc/67/79/29/701677929.db2.gz WGJBAKRVFKUTCG-UHFFFAOYSA-N 0 2 319.324 1.979 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)c1 ZINC000809648066 701677931 /nfs/dbraw/zinc/67/79/31/701677931.db2.gz WGJBAKRVFKUTCG-UHFFFAOYSA-N 0 2 319.324 1.979 20 30 DDEDLN C#Cc1cccc(NC(=O)CNC(=O)C(F)C(F)(F)F)c1 ZINC000764390300 700969211 /nfs/dbraw/zinc/96/92/11/700969211.db2.gz RGPBNOOXFFQLDS-NSHDSACASA-N 0 2 302.227 1.623 20 30 DDEDLN C#Cc1cccc(NC(=O)CNC(=O)[C@H](F)C(F)(F)F)c1 ZINC000764390300 700969213 /nfs/dbraw/zinc/96/92/13/700969213.db2.gz RGPBNOOXFFQLDS-NSHDSACASA-N 0 2 302.227 1.623 20 30 DDEDLN Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1C#N ZINC000839757881 701812141 /nfs/dbraw/zinc/81/21/41/701812141.db2.gz GCDYFKYIZGGCRT-GFCCVEGCSA-N 0 2 311.345 1.710 20 30 DDEDLN C#CCOc1ccccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000811697288 702027483 /nfs/dbraw/zinc/02/74/83/702027483.db2.gz JKJQTSKQQIOEEB-UHFFFAOYSA-N 0 2 313.338 1.766 20 30 DDEDLN CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C#N)c1C ZINC000841008445 702308678 /nfs/dbraw/zinc/30/86/78/702308678.db2.gz PRFTXJQUVROQMT-VXNVDRBHSA-N 0 2 323.330 1.709 20 30 DDEDLN N#CC(C(=O)[C@H]1CCCN(C(N)=O)C1)c1nc(C2CC2)cs1 ZINC000842938474 702792415 /nfs/dbraw/zinc/79/24/15/702792415.db2.gz JWMRGASAXFJPGJ-WDEREUQCSA-N 0 2 318.402 1.987 20 30 DDEDLN N#C[C@H](C(=O)[C@H]1CCCN(C(N)=O)C1)c1nc(C2CC2)cs1 ZINC000842938474 702792416 /nfs/dbraw/zinc/79/24/16/702792416.db2.gz JWMRGASAXFJPGJ-WDEREUQCSA-N 0 2 318.402 1.987 20 30 DDEDLN C=C[C@H](C)O[N-]C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000846553200 703296051 /nfs/dbraw/zinc/29/60/51/703296051.db2.gz ZEJVTPSZOZZDDB-WCQYABFASA-N 0 2 308.382 1.105 20 30 DDEDLN C=C[C@H](C)O[N-]C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000846553200 703296053 /nfs/dbraw/zinc/29/60/53/703296053.db2.gz ZEJVTPSZOZZDDB-WCQYABFASA-N 0 2 308.382 1.105 20 30 DDEDLN C=CCN(CC(=O)[O-])C(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000909005908 712914101 /nfs/dbraw/zinc/91/41/01/712914101.db2.gz OVPHLJFHSWKDQK-UHFFFAOYSA-N 0 2 316.361 1.467 20 30 DDEDLN C=CCCC[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C(=O)[O-] ZINC000909039453 712923410 /nfs/dbraw/zinc/92/34/10/712923410.db2.gz AZMSOXHHIWQGII-ZDUSSCGKSA-N 0 2 316.361 1.943 20 30 DDEDLN O=C(CC1S/C(=N/CC2CC2)NC1=O)Nc1cccc(O)c1 ZINC000887268023 709002273 /nfs/dbraw/zinc/00/22/73/709002273.db2.gz AGGRQKUWCONJHN-GFCCVEGCSA-N 0 2 319.386 1.718 20 30 DDEDLN C=CCSCCNC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000915204903 713412514 /nfs/dbraw/zinc/41/25/14/713412514.db2.gz HVROCNWBAUIMLP-JTQLQIEISA-N 0 2 311.411 1.319 20 30 DDEDLN C=C(C)C(=O)NCCCNc1ccc2nc(C(=O)OC)[nH]c2n1 ZINC001167671110 735132391 /nfs/dbraw/zinc/13/23/91/735132391.db2.gz SRQSXBDEPQDAEX-UHFFFAOYSA-N 0 2 317.349 1.239 20 30 DDEDLN Cc1cc(N(C)CCNC(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001100367103 739152104 /nfs/dbraw/zinc/15/21/04/739152104.db2.gz SEVIBKYJUYXQEZ-NSHDSACASA-N 0 2 318.274 1.715 20 30 DDEDLN Cc1cc(N(C)CCNC(=O)[C@H](F)C(F)(F)F)c(C#N)cn1 ZINC001100367103 739152107 /nfs/dbraw/zinc/15/21/07/739152107.db2.gz SEVIBKYJUYXQEZ-NSHDSACASA-N 0 2 318.274 1.715 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001028261451 739248791 /nfs/dbraw/zinc/24/87/91/739248791.db2.gz YWLOZVRSLJYLRS-NWDGAFQWSA-N 0 2 323.828 1.243 20 30 DDEDLN CN(CCNc1ccc(C#N)nc1)C(=O)C(F)C(F)(F)F ZINC001102002863 742210915 /nfs/dbraw/zinc/21/09/15/742210915.db2.gz DBDAMGSOHKCIIS-SNVBAGLBSA-N 0 2 304.247 1.724 20 30 DDEDLN CN(CCNc1ccc(C#N)nc1)C(=O)[C@@H](F)C(F)(F)F ZINC001102002863 742210917 /nfs/dbraw/zinc/21/09/17/742210917.db2.gz DBDAMGSOHKCIIS-SNVBAGLBSA-N 0 2 304.247 1.724 20 30 DDEDLN N#Cc1ccc(NC2(CNC(=O)C(F)C(F)(F)F)CC2)nn1 ZINC001110375404 744340919 /nfs/dbraw/zinc/34/09/19/744340919.db2.gz HMXGUPJHGFMYEI-VIFPVBQESA-N 0 2 317.246 1.309 20 30 DDEDLN N#Cc1ccc(NC2(CNC(=O)[C@H](F)C(F)(F)F)CC2)nn1 ZINC001110375404 744340922 /nfs/dbraw/zinc/34/09/22/744340922.db2.gz HMXGUPJHGFMYEI-VIFPVBQESA-N 0 2 317.246 1.309 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2cc3c(s2)CCCC3)CCC1=O ZINC001187200372 744516960 /nfs/dbraw/zinc/51/69/60/744516960.db2.gz IXFQWPDVYOVFGS-NSHDSACASA-N 0 2 324.427 1.730 20 30 DDEDLN CNC(=O)c1cc(C#N)cc(C)c1NC(=O)c1ccncc1O ZINC001188637129 744743896 /nfs/dbraw/zinc/74/38/96/744743896.db2.gz OIHWJKAMOKOFEW-UHFFFAOYSA-N 0 2 310.313 1.579 20 30 DDEDLN Cc1nc(C#N)cnc1NS(=O)(=O)Cc1cccc(F)c1F ZINC001189426632 744894494 /nfs/dbraw/zinc/89/44/94/744894494.db2.gz WSOHHXNRNXDLSQ-UHFFFAOYSA-N 0 2 324.312 1.877 20 30 DDEDLN CCOC(=O)c1ccc(NS(=O)(=O)[C@@H](C)C#N)c(F)c1 ZINC001193097927 745976745 /nfs/dbraw/zinc/97/67/45/745976745.db2.gz VDRWMRQYDXMFLD-QMMMGPOBSA-N 0 2 300.311 1.656 20 30 DDEDLN COC(=O)CCCCS(=O)(=O)Nc1ccc(C)cc1C#N ZINC001196952895 747019893 /nfs/dbraw/zinc/01/98/93/747019893.db2.gz XVNPWTNPNHHBGV-UHFFFAOYSA-N 0 2 310.375 1.952 20 30 DDEDLN C=CCC1(C(=O)N2CCCN(Cc3n[nH]c(=O)[nH]3)CC2)CCC1 ZINC001197077107 747057446 /nfs/dbraw/zinc/05/74/46/747057446.db2.gz OSCPKMWKPBFWDD-UHFFFAOYSA-N 0 2 319.409 1.291 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2ccc3occc3c2)cn1 ZINC001198830181 747609970 /nfs/dbraw/zinc/60/99/70/747609970.db2.gz HGUOHLNLPGHDPI-UHFFFAOYSA-N 0 2 300.299 1.895 20 30 DDEDLN CCN(CCNc1ccncc1C#N)C(=O)C(F)C(F)(F)F ZINC001106975935 748456553 /nfs/dbraw/zinc/45/65/53/748456553.db2.gz LCUUTHMRYVWFBM-NSHDSACASA-N 0 2 318.274 1.536 20 30 DDEDLN CCN(CCNc1ccncc1C#N)C(=O)[C@H](F)C(F)(F)F ZINC001106975935 748456555 /nfs/dbraw/zinc/45/65/55/748456555.db2.gz LCUUTHMRYVWFBM-NSHDSACASA-N 0 2 318.274 1.536 20 30 DDEDLN Cc1ccc(S(=O)(=O)Nc2ccnn2CCF)cc1C#N ZINC001201295394 748467490 /nfs/dbraw/zinc/46/74/90/748467490.db2.gz QCEHLGNSRFHZEB-UHFFFAOYSA-N 0 2 308.338 1.834 20 30 DDEDLN Cc1ccc(S(=O)(=O)Nc2cn(CCF)cn2)cc1C#N ZINC001201295617 748468023 /nfs/dbraw/zinc/46/80/23/748468023.db2.gz WQHUUXDBEZPDST-UHFFFAOYSA-N 0 2 308.338 1.834 20 30 DDEDLN C#Cc1ccc(NS(=O)(=O)c2cncc(C(=O)OC)c2)cn1 ZINC001201843112 748618182 /nfs/dbraw/zinc/61/81/82/748618182.db2.gz BJNSOZUDLDNGLF-UHFFFAOYSA-N 0 2 317.326 1.045 20 30 DDEDLN C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001033211531 748942433 /nfs/dbraw/zinc/94/24/33/748942433.db2.gz JZIHIZUBTNULHT-CABCVRRESA-N 0 2 302.422 1.554 20 30 DDEDLN C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3ccccc3c1O)C2 ZINC001095675001 750132532 /nfs/dbraw/zinc/13/25/32/750132532.db2.gz VZOQEFKYSZVRSD-DQYPLSBCSA-N 0 2 321.380 1.496 20 30 DDEDLN N#Cc1cccnc1NC/C=C/CNC(=O)C(F)C(F)(F)F ZINC001107559570 750137224 /nfs/dbraw/zinc/13/72/24/750137224.db2.gz LDGJHANYUGLOKR-YOLVWIGZSA-N 0 2 316.258 1.938 20 30 DDEDLN N#Cc1cccnc1NC/C=C/CNC(=O)[C@H](F)C(F)(F)F ZINC001107559570 750137229 /nfs/dbraw/zinc/13/72/29/750137229.db2.gz LDGJHANYUGLOKR-YOLVWIGZSA-N 0 2 316.258 1.938 20 30 DDEDLN C=C1CCC(C(=O)N[C@H]2CCCN(Cc3n[nH]c(=O)[nH]3)C2)CC1 ZINC001008414371 752717766 /nfs/dbraw/zinc/71/77/66/752717766.db2.gz YOKVJUZSJSRZFC-ZDUSSCGKSA-N 0 2 319.409 1.337 20 30 DDEDLN C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2n[nH]c3ccccc32)C1 ZINC001078114352 753751834 /nfs/dbraw/zinc/75/18/34/753751834.db2.gz CBESKISAXSJUOI-HUUCEWRRSA-N 0 2 314.389 1.304 20 30 DDEDLN C=CCCC(=O)N1CC(N(CC)C(=O)C(F)C(F)(F)F)C1 ZINC001079901935 755624594 /nfs/dbraw/zinc/62/45/94/755624594.db2.gz ZOZBFAZSXZTIJG-LLVKDONJSA-N 0 2 310.291 1.912 20 30 DDEDLN C=CCCC(=O)N1CC(N(CC)C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001079901935 755624599 /nfs/dbraw/zinc/62/45/99/755624599.db2.gz ZOZBFAZSXZTIJG-LLVKDONJSA-N 0 2 310.291 1.912 20 30 DDEDLN C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001109276131 763538218 /nfs/dbraw/zinc/53/82/18/763538218.db2.gz ZAOJKLLGQLFWMZ-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CN(C)c1cncc(C#N)n1)NC(=O)[C@@H](F)C(F)(F)F ZINC001109276131 763538220 /nfs/dbraw/zinc/53/82/20/763538220.db2.gz ZAOJKLLGQLFWMZ-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001109276089 763538591 /nfs/dbraw/zinc/53/85/91/763538591.db2.gz YGRPAIBHBLKIOD-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001109276089 763538595 /nfs/dbraw/zinc/53/85/95/763538595.db2.gz YGRPAIBHBLKIOD-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3Cc2n[nH]c(=O)[nH]2)C1 ZINC001095982725 765654296 /nfs/dbraw/zinc/65/42/96/765654296.db2.gz ISTCVLMONVMUIJ-WOPDTQHZSA-N 0 2 317.393 1.088 20 30 DDEDLN C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132257005 768714421 /nfs/dbraw/zinc/71/44/21/768714421.db2.gz SDYCTYJTNWBBQL-NWDGAFQWSA-N 0 2 307.398 1.336 20 30 DDEDLN C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132257005 768714425 /nfs/dbraw/zinc/71/44/25/768714425.db2.gz SDYCTYJTNWBBQL-NWDGAFQWSA-N 0 2 307.398 1.336 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132330444 768758214 /nfs/dbraw/zinc/75/82/14/768758214.db2.gz HKGNNZJNFGIUAQ-NWDGAFQWSA-N 0 2 321.425 1.582 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132330444 768758221 /nfs/dbraw/zinc/75/82/21/768758221.db2.gz HKGNNZJNFGIUAQ-NWDGAFQWSA-N 0 2 321.425 1.582 20 30 DDEDLN COc1cccc(NC(=O)c2c(CO)cnc(C)c2O)c1C#N ZINC001147839597 773264585 /nfs/dbraw/zinc/26/45/85/773264585.db2.gz CXMZZBOCKOOISO-UHFFFAOYSA-N 0 2 313.313 1.721 20 30 DDEDLN C#CCN1CC[C@@]2(CCCN2Cc2cc(F)c(F)cc2O)C1=O ZINC001273375253 849737036 /nfs/dbraw/zinc/73/70/36/849737036.db2.gz WQUBBKZVFIEZKG-KRWDZBQOSA-N 0 2 320.339 1.871 20 30 DDEDLN C=CCN1C(=O)COCC12C[NH+](Cc1ccc(C(=O)[O-])s1)C2 ZINC001273718700 851269074 /nfs/dbraw/zinc/26/90/74/851269074.db2.gz IDIFDHQNIJGCMO-UHFFFAOYSA-N 0 2 322.386 1.046 20 30 DDEDLN CC(C)(C#N)CC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC001412451897 854575307 /nfs/dbraw/zinc/57/53/07/854575307.db2.gz CTINVZYCWGHUBE-LBPRGKRZSA-N 0 2 313.361 1.850 20 30 DDEDLN C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)c1nn(C)cc1O ZINC001412771628 855244987 /nfs/dbraw/zinc/24/49/87/855244987.db2.gz UNODJVQPZJUCTF-DDTOSNHZSA-N 0 2 310.357 1.978 20 30 DDEDLN C=CCO[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC001324316490 867198464 /nfs/dbraw/zinc/19/84/64/867198464.db2.gz PKJLGVIEKBKZHJ-CQSZACIVSA-N 0 2 313.357 1.995 20 30 DDEDLN CCn1ccc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)n1 ZINC001361661426 882107889 /nfs/dbraw/zinc/10/78/89/882107889.db2.gz BQSPIZCOONMODU-UHFFFAOYSA-N 0 2 303.347 1.849 20 30 DDEDLN Cc1n[nH]c(NC(=O)Cc2ccc(Br)cc2C#N)n1 ZINC001361769247 882336957 /nfs/dbraw/zinc/33/69/57/882336957.db2.gz UUXUOTMKXKNASR-UHFFFAOYSA-N 0 2 320.150 1.929 20 30 DDEDLN Cn1c(C#N)ccc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC001297652302 870122838 /nfs/dbraw/zinc/12/28/38/870122838.db2.gz NEXOLSDWQMQKQW-UHFFFAOYSA-N 0 2 308.301 1.640 20 30 DDEDLN CC(C)(C)C#CC(=O)NC[C@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001299022080 870843323 /nfs/dbraw/zinc/84/33/23/870843323.db2.gz NDDDEUFALULGGM-KOLCDFICSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)(C)C#CC(=O)NC[C@H]1CCN1C(=O)[C@H](F)C(F)(F)F ZINC001299022080 870843337 /nfs/dbraw/zinc/84/33/37/870843337.db2.gz NDDDEUFALULGGM-KOLCDFICSA-N 0 2 322.302 1.653 20 30 DDEDLN CN(CCNC(=O)C(F)C(F)(F)F)CC(F)(F)C(F)F ZINC001317447205 870855010 /nfs/dbraw/zinc/85/50/10/870855010.db2.gz QUZNCODWSJVPLX-YFKPBYRVSA-N 0 2 316.192 1.835 20 30 DDEDLN CN(CCNC(=O)[C@H](F)C(F)(F)F)CC(F)(F)C(F)F ZINC001317447205 870855040 /nfs/dbraw/zinc/85/50/40/870855040.db2.gz QUZNCODWSJVPLX-YFKPBYRVSA-N 0 2 316.192 1.835 20 30 DDEDLN N#CC(C(=O)c1cn(C2CCOCC2)nn1)c1cccc(F)n1 ZINC001343367314 872597262 /nfs/dbraw/zinc/59/72/62/872597262.db2.gz IFPUYAYLBFBAIH-NSHDSACASA-N 0 2 315.308 1.654 20 30 DDEDLN N#C[C@H](C(=O)c1cn(C2CCOCC2)nn1)c1cccc(F)n1 ZINC001343367314 872597271 /nfs/dbraw/zinc/59/72/71/872597271.db2.gz IFPUYAYLBFBAIH-NSHDSACASA-N 0 2 315.308 1.654 20 30 DDEDLN C#CCCCCC(=O)N[C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001358503104 880452649 /nfs/dbraw/zinc/45/26/49/880452649.db2.gz ZGQZSRDZQJVWJN-GXSJLCMTSA-N 0 2 310.291 1.701 20 30 DDEDLN C#CCCCCC(=O)N[C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001358503104 880452663 /nfs/dbraw/zinc/45/26/63/880452663.db2.gz ZGQZSRDZQJVWJN-GXSJLCMTSA-N 0 2 310.291 1.701 20 30 DDEDLN C=C[C@@H](CC)CC(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001228810666 883682406 /nfs/dbraw/zinc/68/24/06/883682406.db2.gz ZRVDWHIPKUFSIT-NSHDSACASA-N 0 2 307.398 1.193 20 30 DDEDLN Cn1c(=O)[nH]c(NCCc2ccccc2Cl)c(C#N)c1=O ZINC001363737455 887106951 /nfs/dbraw/zinc/10/69/51/887106951.db2.gz XMMPXHMOHSCKGJ-UHFFFAOYSA-N 0 2 304.737 1.253 20 30 DDEDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H]1CC2CCC1CC2 ZINC001363744849 887124791 /nfs/dbraw/zinc/12/47/91/887124791.db2.gz OYDSYXHEYOVTJU-XKGSQUFQSA-N 0 2 302.378 1.572 20 30 DDEDLN COc1ccc(C#N)cc1-c1nc(NC(C)=O)nc2nc[nH]c21 ZINC001236536463 889245839 /nfs/dbraw/zinc/24/58/39/889245839.db2.gz UUKIREFIHTXSEU-UHFFFAOYSA-N 0 2 308.301 1.810 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)c2cccc3cccnc32)ccn1 ZINC001250962273 894519044 /nfs/dbraw/zinc/51/90/44/894519044.db2.gz RNMRENXROUVAFU-UHFFFAOYSA-N 0 2 310.338 1.724 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC001252060890 894990846 /nfs/dbraw/zinc/99/08/46/894990846.db2.gz VQJKSXURNUXTTK-ZDUSSCGKSA-N 0 2 324.402 1.718 20 30 DDEDLN C#CCC[NH+]1CCN(C(=O)c2ccc(/C=C\C(=O)[O-])o2)CC1 ZINC001262180910 900004160 /nfs/dbraw/zinc/00/41/60/900004160.db2.gz UBPJHDFAOKAJKR-ALCCZGGFSA-N 0 2 302.330 1.159 20 30 DDEDLN CCOC(=O)c1ccc(C(=O)[C@H](C#N)c2nccn2C)nc1C ZINC001263333277 900578529 /nfs/dbraw/zinc/57/85/29/900578529.db2.gz JLPMRFNZEBSNQB-LBPRGKRZSA-N 0 2 312.329 1.790 20 30 DDEDLN C=C[C@H](CC)CC(=O)NCC1=CC[N@H+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001279621335 903361227 /nfs/dbraw/zinc/36/12/27/903361227.db2.gz DZFVFWHSSXDDRU-GFCCVEGCSA-N 0 2 319.409 1.361 20 30 DDEDLN C=C[C@H](CC)CC(=O)NCC1=CC[N@@H+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001279621335 903361240 /nfs/dbraw/zinc/36/12/40/903361240.db2.gz DZFVFWHSSXDDRU-GFCCVEGCSA-N 0 2 319.409 1.361 20 30 DDEDLN C#CCCCCC(=O)N1CC[C@H]1CNC(=O)C(F)C(F)(F)F ZINC001285862922 911323853 /nfs/dbraw/zinc/32/38/53/911323853.db2.gz PAGOLJVJIYDZOW-JQWIXIFHSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCCC(=O)N1CC[C@H]1CNC(=O)[C@H](F)C(F)(F)F ZINC001285862922 911323875 /nfs/dbraw/zinc/32/38/75/911323875.db2.gz PAGOLJVJIYDZOW-JQWIXIFHSA-N 0 2 322.302 1.798 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(Cn3cncn3)cc2)[nH]c1C#N ZINC000026267805 352206969 /nfs/dbraw/zinc/20/69/69/352206969.db2.gz PLHZXMXMIARCTE-UHFFFAOYSA-N 0 2 318.300 1.045 20 30 DDEDLN Cn1cc(CN2CCN(c3cccc(F)c3C#N)CC2)nn1 ZINC000092110003 353844565 /nfs/dbraw/zinc/84/45/65/353844565.db2.gz IFDOZEXVLYFYPP-UHFFFAOYSA-N 0 2 300.341 1.148 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)cn1 ZINC000115056753 353984294 /nfs/dbraw/zinc/98/42/94/353984294.db2.gz LCRMWCVVODXXJN-UHFFFAOYSA-N 0 2 307.269 1.549 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1C#N ZINC000314609969 354486910 /nfs/dbraw/zinc/48/69/10/354486910.db2.gz YUFFOYNHBBLPKY-UHFFFAOYSA-N 0 2 305.363 1.840 20 30 DDEDLN Cc1c(NS(=O)(=O)c2cncc(C#N)c2)[nH]nc1C(C)C ZINC000592384989 355572164 /nfs/dbraw/zinc/57/21/64/355572164.db2.gz HLFANJLZBYBOFN-UHFFFAOYSA-N 0 2 305.363 1.909 20 30 DDEDLN CC[C@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)C(=O)OC ZINC000592871283 355725525 /nfs/dbraw/zinc/72/55/25/355725525.db2.gz PYPXAHJAYNOGPE-MRVPVSSYSA-N 0 2 323.374 1.310 20 30 DDEDLN C=CCCn1cc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)nn1 ZINC000593958763 356073020 /nfs/dbraw/zinc/07/30/20/356073020.db2.gz MZEIBHVFSYSLMX-KRWDZBQOSA-N 0 2 318.469 1.066 20 30 DDEDLN CCO[C@@H](CS(=O)(=O)Nc1ccn(CCC#N)n1)C1CC1 ZINC000600651436 358275436 /nfs/dbraw/zinc/27/54/36/358275436.db2.gz WVZUCJBIGPYVDR-LBPRGKRZSA-N 0 2 312.395 1.354 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@H](C)O[C@H]2C)cc1C#N ZINC000601762689 358684532 /nfs/dbraw/zinc/68/45/32/358684532.db2.gz WBFWFHUEDQSUKU-DKCNOQQISA-N 0 2 307.375 1.676 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)CC1(OC)CCC1 ZINC000601977145 358762718 /nfs/dbraw/zinc/76/27/18/358762718.db2.gz XDPZYHARPYUWAN-UHFFFAOYSA-N 0 2 310.375 1.878 20 30 DDEDLN Cc1[nH]ncc1CN(C)C(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000602172772 358862263 /nfs/dbraw/zinc/86/22/63/358862263.db2.gz LNIYLDYUBPVXLU-OAHLLOKOSA-N 0 2 307.357 1.931 20 30 DDEDLN CCOC(=O)CN(CC)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000611098466 360622717 /nfs/dbraw/zinc/62/27/17/360622717.db2.gz NMIWBPOCWNQCPH-UHFFFAOYSA-N 0 2 323.374 1.406 20 30 DDEDLN N#CC1(CNC(=O)C2=NN(c3ccc(F)cc3)CC2=O)CC1 ZINC000619546868 364055156 /nfs/dbraw/zinc/05/51/56/364055156.db2.gz GBNSTEZSIQMROB-UHFFFAOYSA-N 0 2 300.293 1.751 20 30 DDEDLN COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000026272245 248183702 /nfs/dbraw/zinc/18/37/02/248183702.db2.gz YPSRNYPDFPYMLY-UHFFFAOYSA-N 0 2 323.312 1.545 20 30 DDEDLN CNc1ccc(C#N)cc1NS(=O)(=O)c1c(C)n[nH]c1C ZINC000350872881 269699184 /nfs/dbraw/zinc/69/91/84/269699184.db2.gz WZNLDYLVOCHWFS-UHFFFAOYSA-N 0 2 305.363 1.741 20 30 DDEDLN CCS(=O)(=O)NCCC/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000050234214 407128967 /nfs/dbraw/zinc/12/89/67/407128967.db2.gz UEKJHCVJLRZECA-UKTHLTGXSA-N 0 2 315.351 1.049 20 30 DDEDLN C/N=C1/SC(CC(=O)Nc2ccc(C#N)cc2)C(=O)N1C ZINC000170874101 407541488 /nfs/dbraw/zinc/54/14/88/407541488.db2.gz JACRXLFVYZZEJR-QPQCVSCISA-N 0 2 302.359 1.446 20 30 DDEDLN C/N=C1/S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1C ZINC000170874101 407541490 /nfs/dbraw/zinc/54/14/90/407541490.db2.gz JACRXLFVYZZEJR-QPQCVSCISA-N 0 2 302.359 1.446 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)Cc2cccn2C)cc1C#N ZINC000134341039 407893856 /nfs/dbraw/zinc/89/38/56/407893856.db2.gz GUSUDKAEOVDSJV-UHFFFAOYSA-N 0 2 316.386 1.579 20 30 DDEDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(C#N)cn1 ZINC000161674596 408626781 /nfs/dbraw/zinc/62/67/81/408626781.db2.gz NINUITTZDXHLNP-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN C=C[C@](C)(CCOC)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000289170874 409229106 /nfs/dbraw/zinc/22/91/06/409229106.db2.gz ZIZSGPLJCULMGE-MRXNPFEDSA-N 0 2 316.361 1.932 20 30 DDEDLN COC(=O)c1sccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000315291080 164018491 /nfs/dbraw/zinc/01/84/91/164018491.db2.gz JDDQWCFPGNXMDG-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN COCc1nnc([C@H]2CCCCN2C(=O)c2ccc(C#N)[nH]2)[nH]1 ZINC000331666427 409750010 /nfs/dbraw/zinc/75/00/10/409750010.db2.gz TWWONEYCPCKCPH-GFCCVEGCSA-N 0 2 314.349 1.518 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1C#N ZINC000357246294 409952707 /nfs/dbraw/zinc/95/27/07/409952707.db2.gz SEJZJMXQZJFYIN-HNNXBMFYSA-N 0 2 317.349 1.790 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2coc(C3CCOCC3)n2)c1C#N ZINC000357237788 409948779 /nfs/dbraw/zinc/94/87/79/409948779.db2.gz FFDNSVASMVEZBX-UHFFFAOYSA-N 0 2 301.306 1.724 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cnc(Oc3ccccc3)cn2)c1C#N ZINC000357233909 409950367 /nfs/dbraw/zinc/95/03/67/409950367.db2.gz RWFLDJIVNONMHM-UHFFFAOYSA-N 0 2 320.312 2.424 20 30 DDEDLN Cc1ncc(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000351983114 410390780 /nfs/dbraw/zinc/39/07/80/410390780.db2.gz RQDGLCHCVVHABO-UHFFFAOYSA-N 0 2 319.302 1.366 20 30 DDEDLN N#CC[C@H](CC(=O)NCCCc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000359642005 410788797 /nfs/dbraw/zinc/78/87/97/410788797.db2.gz NGLNDTBDKSIMKK-CYBMUJFWSA-N 0 2 313.361 1.647 20 30 DDEDLN CN=c1[nH]nc(CC(=O)Nc2cc(C#N)ccc2OC)s1 ZINC000353758851 411124918 /nfs/dbraw/zinc/12/49/18/411124918.db2.gz AKVBJFZZFCICPT-UHFFFAOYSA-N 0 2 303.347 1.641 20 30 DDEDLN C#CCOc1ccc(F)cc1NS(=O)(=O)C[C@H](C)OC ZINC000193330927 222150413 /nfs/dbraw/zinc/15/04/13/222150413.db2.gz MFUZDOUWFMNUMP-JTQLQIEISA-N 0 2 301.339 1.614 20 30 DDEDLN Cc1cc(NS(=O)(=O)CCOC(C)C)nn1CCC#N ZINC000271104490 222447556 /nfs/dbraw/zinc/44/75/56/222447556.db2.gz ZHSREDGCXDYCGM-UHFFFAOYSA-N 0 2 300.384 1.272 20 30 DDEDLN C=C[C@@H](CO)NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000426849529 419558384 /nfs/dbraw/zinc/55/83/84/419558384.db2.gz VEGGKURERKZDLG-JTQLQIEISA-N 0 2 307.737 1.508 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)cc1F ZINC000427245737 419625325 /nfs/dbraw/zinc/62/53/25/419625325.db2.gz IWZGPEFHJQDASN-UHFFFAOYSA-N 0 2 317.305 1.769 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)cc1F ZINC000427245737 419625334 /nfs/dbraw/zinc/62/53/34/419625334.db2.gz IWZGPEFHJQDASN-UHFFFAOYSA-N 0 2 317.305 1.769 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)cc1F ZINC000427245737 419625341 /nfs/dbraw/zinc/62/53/41/419625341.db2.gz IWZGPEFHJQDASN-UHFFFAOYSA-N 0 2 317.305 1.769 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1nnc(-c2c[nH]nc2C)s1 ZINC000427758601 419727469 /nfs/dbraw/zinc/72/74/69/419727469.db2.gz LDKNBNDUATWWKW-UHFFFAOYSA-N 0 2 313.408 1.945 20 30 DDEDLN CN(C)c1cccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC000427773778 419732065 /nfs/dbraw/zinc/73/20/65/419732065.db2.gz MLHOUJPSXKQTMZ-UHFFFAOYSA-N 0 2 320.349 1.959 20 30 DDEDLN COCCCn1cc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)cn1 ZINC000528918072 421524431 /nfs/dbraw/zinc/52/44/31/421524431.db2.gz NXMFEZMGQNQPMH-AWEZNQCLSA-N 0 2 313.361 1.817 20 30 DDEDLN Cc1oc(C#N)cc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000580894758 421859713 /nfs/dbraw/zinc/85/97/13/421859713.db2.gz JRRCRKVYHWIHPD-UHFFFAOYSA-N 0 2 301.306 1.303 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2ccc3c(c2)OCCO3)s1 ZINC000610725296 422472401 /nfs/dbraw/zinc/47/24/01/422472401.db2.gz SSXWDLIAEADMCL-UHFFFAOYSA-N 0 2 323.355 1.587 20 30 DDEDLN CCN(C[C@@H](C)OC)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000361068957 266132768 /nfs/dbraw/zinc/13/27/68/266132768.db2.gz WZBUQOREJLDTLO-SECBINFHSA-N 0 2 309.391 1.878 20 30 DDEDLN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000367368448 268019352 /nfs/dbraw/zinc/01/93/52/268019352.db2.gz TUZGWUOPNHOGMT-VIFPVBQESA-N 0 2 314.305 1.674 20 30 DDEDLN Cc1nc2n(n1)C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)CC2 ZINC000171252972 302682038 /nfs/dbraw/zinc/68/20/38/302682038.db2.gz OXFRYDAXSBPXSD-LBMJDHPKSA-N 0 2 301.306 1.634 20 30 DDEDLN N#Cc1c2c(cnc1N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1)CCC2 ZINC000577232314 308373407 /nfs/dbraw/zinc/37/34/07/308373407.db2.gz ZJIQIQIUSWQDLK-CYBMUJFWSA-N 0 2 310.361 1.997 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1 ZINC000579543319 308538586 /nfs/dbraw/zinc/53/85/86/308538586.db2.gz WBMCNKWKKXBSFY-ZDUSSCGKSA-N 0 2 318.358 1.934 20 30 DDEDLN Cc1cnn(-c2c(C(=O)C(C#N)c3ccncn3)c(C)nn2C)c1 ZINC000548631546 341267909 /nfs/dbraw/zinc/26/79/09/341267909.db2.gz PITYVYGFDOKCRZ-GFCCVEGCSA-N 0 2 321.344 1.503 20 30 DDEDLN C=CC[C@@H](CO)CNC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000340921822 527061509 /nfs/dbraw/zinc/06/15/09/527061509.db2.gz SXPMMIBKFGROTQ-LLVKDONJSA-N 0 2 318.402 1.933 20 30 DDEDLN C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@H](C(=O)[O-])C2)c1=S ZINC000817689914 597536899 /nfs/dbraw/zinc/53/68/99/597536899.db2.gz GPMRPJURXVMYNH-NSHDSACASA-N 0 2 308.407 1.841 20 30 DDEDLN C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c1=S ZINC000817689914 597536901 /nfs/dbraw/zinc/53/69/01/597536901.db2.gz GPMRPJURXVMYNH-NSHDSACASA-N 0 2 308.407 1.841 20 30 DDEDLN C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823721847 603799157 /nfs/dbraw/zinc/79/91/57/603799157.db2.gz AHZAZNGUASLUNP-DGCLKSJQSA-N 0 2 316.361 1.569 20 30 DDEDLN C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823721847 603799158 /nfs/dbraw/zinc/79/91/58/603799158.db2.gz AHZAZNGUASLUNP-DGCLKSJQSA-N 0 2 316.361 1.569 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000825359753 604597330 /nfs/dbraw/zinc/59/73/30/604597330.db2.gz MNCAZBXJZSSPJB-WFASDCNBSA-N 0 2 319.361 1.446 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000825359753 604597333 /nfs/dbraw/zinc/59/73/33/604597333.db2.gz MNCAZBXJZSSPJB-WFASDCNBSA-N 0 2 319.361 1.446 20 30 DDEDLN Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[O-])c(C#N)c1C ZINC000833934373 605524809 /nfs/dbraw/zinc/52/48/09/605524809.db2.gz IARCKVDFUKIFLF-SNVBAGLBSA-N 0 2 322.365 1.637 20 30 DDEDLN Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[O-])c(C#N)c1C ZINC000833934373 605524812 /nfs/dbraw/zinc/52/48/12/605524812.db2.gz IARCKVDFUKIFLF-SNVBAGLBSA-N 0 2 322.365 1.637 20 30 DDEDLN CC(C)(C)c1cnc(C(C#N)C(=O)CN2CCOCC2)s1 ZINC000797572325 700015136 /nfs/dbraw/zinc/01/51/36/700015136.db2.gz XSFGAUQTBCHTPR-LLVKDONJSA-N 0 2 307.419 1.949 20 30 DDEDLN Cc1csc(C(C#N)C(=O)Cc2ccc(-n3cnnn3)cc2)n1 ZINC000041515809 696141231 /nfs/dbraw/zinc/14/12/31/696141231.db2.gz IVPAWNNRMPEHRF-ZDUSSCGKSA-N 0 2 324.369 1.846 20 30 DDEDLN Cc1csc([C@@H](C#N)C(=O)Cc2ccc(-n3cnnn3)cc2)n1 ZINC000041515809 696141235 /nfs/dbraw/zinc/14/12/35/696141235.db2.gz IVPAWNNRMPEHRF-ZDUSSCGKSA-N 0 2 324.369 1.846 20 30 DDEDLN C=C(C)Cn1c(SCC(=O)NOC)nnc1-c1ccco1 ZINC000120564169 696697661 /nfs/dbraw/zinc/69/76/61/696697661.db2.gz HMHQVLBYMIQKED-UHFFFAOYSA-N 0 2 308.363 1.884 20 30 DDEDLN C=C[C@](C)(CC)C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000981887744 696956588 /nfs/dbraw/zinc/95/65/88/696956588.db2.gz OGQDXMLMXFPQNR-OAHLLOKOSA-N 0 2 307.398 1.147 20 30 DDEDLN N#CC(C(=O)COC[C@@H]1CCCO1)c1nnc2n1CCCCC2 ZINC000733681498 699611162 /nfs/dbraw/zinc/61/11/62/699611162.db2.gz VQYCZZWKLJDDJF-STQMWFEESA-N 0 2 318.377 1.376 20 30 DDEDLN N#C[C@H](C(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1cnc2ccccc2n1 ZINC000792108149 699675731 /nfs/dbraw/zinc/67/57/31/699675731.db2.gz IJJKDWVIYJWUEZ-YPMHNXCESA-N 0 2 320.352 1.817 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cn1 ZINC000741653815 699846844 /nfs/dbraw/zinc/84/68/44/699846844.db2.gz PTOIMCKHPODIFT-UHFFFAOYSA-N 0 2 316.264 1.625 20 30 DDEDLN O=C(C(F)C(F)(F)F)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000811522469 701996503 /nfs/dbraw/zinc/99/65/03/701996503.db2.gz ABIYZEIVHJEUMH-ZCFIWIBFSA-N 0 2 310.169 1.120 20 30 DDEDLN O=C([C@@H](F)C(F)(F)F)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000811522469 701996508 /nfs/dbraw/zinc/99/65/08/701996508.db2.gz ABIYZEIVHJEUMH-ZCFIWIBFSA-N 0 2 310.169 1.120 20 30 DDEDLN CN1CC[C@H](C(=O)C(C#N)c2cc(C(F)(F)F)ccn2)C1=O ZINC000813216481 702313309 /nfs/dbraw/zinc/31/33/09/702313309.db2.gz SYXKDGQAKSDYJL-NXEZZACHSA-N 0 2 311.263 1.755 20 30 DDEDLN CN1CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)S1(=O)=O ZINC000842693598 702758029 /nfs/dbraw/zinc/75/80/29/702758029.db2.gz IIVKAMHOZCURGO-JOYOIKCWSA-N 0 2 319.342 1.038 20 30 DDEDLN CN1CC[C@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)S1(=O)=O ZINC000842693598 702758030 /nfs/dbraw/zinc/75/80/30/702758030.db2.gz IIVKAMHOZCURGO-JOYOIKCWSA-N 0 2 319.342 1.038 20 30 DDEDLN CC(C)OCCCNC(=O)C(C#N)=C([O-])c1c[nH+]c2n1CCC2 ZINC000850751752 703749348 /nfs/dbraw/zinc/74/93/48/703749348.db2.gz GLLVKGIJWWUDNK-LBPRGKRZSA-N 0 2 318.377 1.083 20 30 DDEDLN C=CCCO[N-]C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000856036278 704510679 /nfs/dbraw/zinc/51/06/79/704510679.db2.gz YNZMJOPNVONPIL-CYBMUJFWSA-N 0 2 308.382 1.107 20 30 DDEDLN C=CCCO[N-]C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000856036278 704510680 /nfs/dbraw/zinc/51/06/80/704510680.db2.gz YNZMJOPNVONPIL-CYBMUJFWSA-N 0 2 308.382 1.107 20 30 DDEDLN C#CCC[C@H](O)CNS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000867226758 706930845 /nfs/dbraw/zinc/93/08/45/706930845.db2.gz NWDYACORVNHGGO-VIFPVBQESA-N 0 2 318.782 1.258 20 30 DDEDLN N#CCC1CN(C(=O)c2ccc(CNC(=O)C(F)(F)F)o2)C1 ZINC000862176247 705670128 /nfs/dbraw/zinc/67/01/28/705670128.db2.gz IBCAMDYGBNUIDN-UHFFFAOYSA-N 0 2 315.251 1.444 20 30 DDEDLN CN(CCc1cccc(C#N)c1)C(=O)C[C@H]1SC(=N)NC1=O ZINC000863434118 705928382 /nfs/dbraw/zinc/92/83/82/705928382.db2.gz GXPSZTJDDADVMC-GFCCVEGCSA-N 0 2 316.386 1.116 20 30 DDEDLN N#Cc1cnn(CC(=O)C2(NC(=O)C(F)(F)F)CCCC2)c1 ZINC000829572530 706358657 /nfs/dbraw/zinc/35/86/57/706358657.db2.gz NJVFKKOITJMZTQ-UHFFFAOYSA-N 0 2 314.267 1.315 20 30 DDEDLN C[C@@H]1CN=C(NN=Cc2cc(Br)cc(F)c2O)N1 ZINC000884447858 708301283 /nfs/dbraw/zinc/30/12/83/708301283.db2.gz LOEDGADEXNUKPN-ZCFIWIBFSA-N 0 2 315.146 1.565 20 30 DDEDLN CSCc1nnc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)[nH]1 ZINC000895813968 711614316 /nfs/dbraw/zinc/61/43/16/711614316.db2.gz OBPZWRRINYWFDD-NSHDSACASA-N 0 2 309.439 1.856 20 30 DDEDLN C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000948781976 719705353 /nfs/dbraw/zinc/70/53/53/719705353.db2.gz CLJCNQQILUGKAR-BZUAXINKSA-N 0 2 314.433 1.470 20 30 DDEDLN C=C1CCC(C(=O)N(CC)C2CN(Cc3n[nH]c(=O)[nH]3)C2)CC1 ZINC000951619137 721102084 /nfs/dbraw/zinc/10/20/84/721102084.db2.gz BZSHYSQTFZOTQJ-UHFFFAOYSA-N 0 2 319.409 1.289 20 30 DDEDLN C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)N3Cc2n[nH]c(=O)[nH]2)C1 ZINC001029464764 740867774 /nfs/dbraw/zinc/86/77/74/740867774.db2.gz GHAAVGUFXCVOMV-TXEJJXNPSA-N 0 2 317.393 1.042 20 30 DDEDLN C[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)C(F)C(F)(F)F ZINC001076436635 742734120 /nfs/dbraw/zinc/73/41/20/742734120.db2.gz SODLHASWILQPIF-GXSJLCMTSA-N 0 2 324.318 1.947 20 30 DDEDLN C[C@@H](CCNC(=O)C#CC(C)(C)C)NC(=O)[C@@H](F)C(F)(F)F ZINC001076436635 742734121 /nfs/dbraw/zinc/73/41/21/742734121.db2.gz SODLHASWILQPIF-GXSJLCMTSA-N 0 2 324.318 1.947 20 30 DDEDLN N#Cc1c(Cl)cc(C(=O)NCc2n[nH]c(=O)[nH]2)nc1Cl ZINC001184812195 744106341 /nfs/dbraw/zinc/10/63/41/744106341.db2.gz DWUUACZEDOGUDY-UHFFFAOYSA-N 0 2 313.104 1.014 20 30 DDEDLN N#Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC001186886188 744459596 /nfs/dbraw/zinc/45/95/96/744459596.db2.gz AAFHCVRTZGRUMQ-UHFFFAOYSA-N 0 2 314.326 1.249 20 30 DDEDLN COC(=O)CCS(=O)(=O)Nc1c(Cl)cccc1C#N ZINC001188392524 744697876 /nfs/dbraw/zinc/69/78/76/744697876.db2.gz KCYHWZZJUDUICS-UHFFFAOYSA-N 0 2 302.739 1.516 20 30 DDEDLN N#Cc1cc(C(=O)n2c(N)nc(=O)c3ccccc32)ccc1O ZINC001193513076 746130835 /nfs/dbraw/zinc/13/08/35/746130835.db2.gz ZFYGBWNIMDWXPH-UHFFFAOYSA-N 0 2 306.281 1.487 20 30 DDEDLN C=CC[C@@H](NC(=O)[C@@H](C(CC)CC)[NH+]1CCOCC1)C(=O)[O-] ZINC001119580254 757871805 /nfs/dbraw/zinc/87/18/05/757871805.db2.gz JTADSBHUXLCVHV-ZIAGYGMSSA-N 0 2 312.410 1.269 20 30 DDEDLN C[C@H](CN(C)c1ccncc1C#N)NC(=O)C(F)C(F)(F)F ZINC001109274592 763536719 /nfs/dbraw/zinc/53/67/19/763536719.db2.gz GJJFRFHFKIDRKA-LDYMZIIASA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CN(C)c1ccncc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001109274592 763536726 /nfs/dbraw/zinc/53/67/26/763536726.db2.gz GJJFRFHFKIDRKA-LDYMZIIASA-N 0 2 318.274 1.795 20 30 DDEDLN C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132072774 768607003 /nfs/dbraw/zinc/60/70/03/768607003.db2.gz OJZNEDUEKKEAPH-NWDGAFQWSA-N 0 2 307.398 1.336 20 30 DDEDLN C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132072774 768607007 /nfs/dbraw/zinc/60/70/07/768607007.db2.gz OJZNEDUEKKEAPH-NWDGAFQWSA-N 0 2 307.398 1.336 20 30 DDEDLN N#Cc1cnccc1N1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001096491582 770463738 /nfs/dbraw/zinc/46/37/38/770463738.db2.gz MZLXNTFGIPOQGY-GXSJLCMTSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1cnccc1N1CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001096491582 770463742 /nfs/dbraw/zinc/46/37/42/770463742.db2.gz MZLXNTFGIPOQGY-GXSJLCMTSA-N 0 2 316.258 1.549 20 30 DDEDLN CC[C@H](CNC(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001103340392 778800133 /nfs/dbraw/zinc/80/01/33/778800133.db2.gz CBBXQSUXKDZTQX-APPZFPTMSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001103340392 778800136 /nfs/dbraw/zinc/80/01/36/778800136.db2.gz CBBXQSUXKDZTQX-APPZFPTMSA-N 0 2 319.262 1.555 20 30 DDEDLN C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[nH]1 ZINC001267427948 838031711 /nfs/dbraw/zinc/03/17/11/838031711.db2.gz CEAZPXCNKUMYAB-TXEJJXNPSA-N 0 2 319.409 1.288 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001034388962 848445928 /nfs/dbraw/zinc/44/59/28/848445928.db2.gz LCCGYYACSHMPMF-GFCCVEGCSA-N 0 2 319.409 1.337 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)C1 ZINC001034388962 848445932 /nfs/dbraw/zinc/44/59/32/848445932.db2.gz LCCGYYACSHMPMF-GFCCVEGCSA-N 0 2 319.409 1.337 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)cn1 ZINC001095758345 855323647 /nfs/dbraw/zinc/32/36/47/855323647.db2.gz DLKYYNQRSOBAEJ-NSHDSACASA-N 0 2 318.274 1.796 20 30 DDEDLN CN(CCCNC(=O)[C@H](F)C(F)(F)F)c1ccc(C#N)cn1 ZINC001095758345 855323651 /nfs/dbraw/zinc/32/36/51/855323651.db2.gz DLKYYNQRSOBAEJ-NSHDSACASA-N 0 2 318.274 1.796 20 30 DDEDLN C#CCOc1cccc(NS(=O)(=O)c2cn(C)nc2C)c1 ZINC001323403396 866590756 /nfs/dbraw/zinc/59/07/56/866590756.db2.gz MRQMNJTWVOLZIS-UHFFFAOYSA-N 0 2 305.359 1.541 20 30 DDEDLN CC(C)C#CC(=O)NC1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001333692581 866943135 /nfs/dbraw/zinc/94/31/35/866943135.db2.gz VVRCQVSNODKOMA-CBINBANVSA-N 0 2 322.302 1.557 20 30 DDEDLN CC(C)C#CC(=O)NC1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001333692581 866943146 /nfs/dbraw/zinc/94/31/46/866943146.db2.gz VVRCQVSNODKOMA-CBINBANVSA-N 0 2 322.302 1.557 20 30 DDEDLN C#C[C@H]1CCCCN1c1nnc(-c2n[nH]c(Cl)n2)n1CC=C ZINC001339091319 870342761 /nfs/dbraw/zinc/34/27/61/870342761.db2.gz RUUSHHSUNFCBGE-JTQLQIEISA-N 0 2 317.784 1.895 20 30 DDEDLN C#C[C@H]1CCCN(c2nnc(-c3n[nH]c(Cl)n3)n2CC)C1 ZINC001340048097 870861720 /nfs/dbraw/zinc/86/17/20/870861720.db2.gz KNUSCCRRXIQDEJ-VIFPVBQESA-N 0 2 305.773 1.586 20 30 DDEDLN C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2n[nH]c(=O)[n-]2)CCC1 ZINC001317511286 870955587 /nfs/dbraw/zinc/95/55/87/870955587.db2.gz YDRSBGBBERMJFD-GFCCVEGCSA-N 0 2 319.409 1.337 20 30 DDEDLN C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2Cc2n[nH]c(=O)[n-]2)CCC1 ZINC001317511286 870955595 /nfs/dbraw/zinc/95/55/95/870955595.db2.gz YDRSBGBBERMJFD-GFCCVEGCSA-N 0 2 319.409 1.337 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CC12CCSCC2 ZINC001343619903 872689039 /nfs/dbraw/zinc/68/90/39/872689039.db2.gz XWSDLATZITXVRR-QWRGUYRKSA-N 0 2 303.387 1.845 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCCC(=O)OC(C)(C)C ZINC001344684108 873075584 /nfs/dbraw/zinc/07/55/84/873075584.db2.gz CQKQTHWCIIZWDW-LLVKDONJSA-N 0 2 319.361 1.824 20 30 DDEDLN C=C(C)C(=O)OC[C@@H](C)Oc1[nH]c(=O)nnc1Br ZINC001227064456 882803909 /nfs/dbraw/zinc/80/39/09/882803909.db2.gz QBXRMIGMQBIXOD-ZCFIWIBFSA-N 0 2 318.127 1.226 20 30 DDEDLN C[C@H](C#N)C(=O)N[C@H](CNC(=O)c1[nH]ncc1F)C1CCCC1 ZINC001379586120 877451310 /nfs/dbraw/zinc/45/13/10/877451310.db2.gz OOUCSCROELJZMG-BXKDBHETSA-N 0 2 321.356 1.113 20 30 DDEDLN C=CCN(C)c1nnc(-c2c[nH]n(CC)c2=O)n1CCOC ZINC001358238898 880375829 /nfs/dbraw/zinc/37/58/29/880375829.db2.gz JDOJVCRXDIEIFS-UHFFFAOYSA-N 0 2 306.370 1.136 20 30 DDEDLN Cc1cc(Cl)ccc1NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O ZINC001364282312 888288300 /nfs/dbraw/zinc/28/83/00/888288300.db2.gz UOGNQYYBGJSYAK-UHFFFAOYSA-N 0 2 318.720 1.009 20 30 DDEDLN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)C(F)C(F)(F)F ZINC001386732848 891589988 /nfs/dbraw/zinc/58/99/88/891589988.db2.gz XCGXZCMVRUGKMB-HZGVNTEJSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@H](CNC(=O)c1c[nH]c(C#N)c1)NC(=O)[C@@H](F)C(F)(F)F ZINC001386732848 891589996 /nfs/dbraw/zinc/58/99/96/891589996.db2.gz XCGXZCMVRUGKMB-HZGVNTEJSA-N 0 2 320.246 1.021 20 30 DDEDLN Cc1ccc(C#N)c(NS(=O)(=O)c2ccc(N)c(N)c2)c1 ZINC001249900864 894159445 /nfs/dbraw/zinc/15/94/45/894159445.db2.gz JKAGUSGHAHINON-UHFFFAOYSA-N 0 2 302.359 1.832 20 30 DDEDLN COc1cccc(CO)c1NS(=O)(=O)c1cccc(C#N)c1 ZINC001259124976 898482798 /nfs/dbraw/zinc/48/27/98/898482798.db2.gz DTKAJDHERCKOAI-UHFFFAOYSA-N 0 2 318.354 1.860 20 30 DDEDLN CC(=O)c1ccc(S(=O)(=O)Nc2cccc(C#N)n2)cc1 ZINC001259172062 898504332 /nfs/dbraw/zinc/50/43/32/898504332.db2.gz URTRSZICQATACL-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN C#Cc1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)cc1F ZINC001260112711 899061586 /nfs/dbraw/zinc/06/15/86/899061586.db2.gz SCOAAXYUYZAMCP-UHFFFAOYSA-N 0 2 307.350 1.958 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCS[C@H](C)[C@H]2C)cc1C#N ZINC000118530245 295672591 /nfs/dbraw/zinc/67/25/91/295672591.db2.gz JJJXUMGOZNNNPN-RKDXNWHRSA-N 0 2 323.443 1.934 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)o2)cn1 ZINC000153752136 290652612 /nfs/dbraw/zinc/65/26/12/290652612.db2.gz JBTDQTWJCBKVGB-UHFFFAOYSA-N 0 2 317.286 1.397 20 30 DDEDLN CC[C@]1(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)CCOC1 ZINC000616690592 362781194 /nfs/dbraw/zinc/78/11/94/362781194.db2.gz VBFXUPSZJDPMNA-AWEZNQCLSA-N 0 2 307.375 1.680 20 30 DDEDLN C/N=C1\NC(=O)C(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])S1 ZINC000007883215 352128538 /nfs/dbraw/zinc/12/85/38/352128538.db2.gz OUBOYDPJPLVOGI-JTQLQIEISA-N 0 2 322.346 1.449 20 30 DDEDLN C/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])S1 ZINC000007883215 352128539 /nfs/dbraw/zinc/12/85/39/352128539.db2.gz OUBOYDPJPLVOGI-JTQLQIEISA-N 0 2 322.346 1.449 20 30 DDEDLN CN(C)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)nc1 ZINC000125511434 354046695 /nfs/dbraw/zinc/04/66/95/354046695.db2.gz WBPUNSARFCPWBL-UHFFFAOYSA-N 0 2 320.349 1.959 20 30 DDEDLN Cc1ccc(-c2cc(=NC(=O)N=c3[nH]n(C)cc3C#N)[nH][nH]2)o1 ZINC000585797382 354849053 /nfs/dbraw/zinc/84/90/53/354849053.db2.gz TXRPZOUNECBXTP-UHFFFAOYSA-N 0 2 311.305 1.071 20 30 DDEDLN N#CC1(CNS(=O)(=O)c2onc(C3CC3)c2Cl)CC1 ZINC000601411462 358541068 /nfs/dbraw/zinc/54/10/68/358541068.db2.gz WABQIBHLJYLZSE-UHFFFAOYSA-N 0 2 301.755 1.787 20 30 DDEDLN Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C#N)cc1F ZINC000610056766 360377039 /nfs/dbraw/zinc/37/70/39/360377039.db2.gz VBYMJBJZFVVLDN-UHFFFAOYSA-N 0 2 308.338 1.849 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)C[C@H]2CCOC2)cc1C#N ZINC000610748662 360525182 /nfs/dbraw/zinc/52/51/82/360525182.db2.gz YPVAXCRLRWYUBR-VHSXEESVSA-N 0 2 321.402 1.926 20 30 DDEDLN N#CCNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000343030028 223315356 /nfs/dbraw/zinc/31/53/56/223315356.db2.gz HVYNUHMHPWGVPG-UHFFFAOYSA-N 0 2 321.383 1.802 20 30 DDEDLN Cc1[nH]nc2cc(NS(=O)(=O)c3ccc(C#N)nc3)ccc12 ZINC000093909345 193327309 /nfs/dbraw/zinc/32/73/09/193327309.db2.gz WSKCKCPSMCZIPU-UHFFFAOYSA-N 0 2 313.342 1.939 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2cccc(C#N)c2)n2ncnc2n1 ZINC000340371317 251033004 /nfs/dbraw/zinc/03/30/04/251033004.db2.gz KNRIZNOSKRBZPF-UHFFFAOYSA-N 0 2 314.330 1.105 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@]2(C)CCCO2)cc1C#N ZINC000153112456 407757391 /nfs/dbraw/zinc/75/73/91/407757391.db2.gz HTVBULFXCWLKHT-CQSZACIVSA-N 0 2 307.375 1.267 20 30 DDEDLN N#Cc1nc(NC(=O)CNC(=O)CC2CCCCC2)[nH]c1C#N ZINC000132528876 407787455 /nfs/dbraw/zinc/78/74/55/407787455.db2.gz JJUUDFNABMZWQK-UHFFFAOYSA-N 0 2 314.349 1.178 20 30 DDEDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(OCC#N)c1 ZINC000274764616 408524723 /nfs/dbraw/zinc/52/47/23/408524723.db2.gz RZNUWICNKLKSBA-UHFFFAOYSA-N 0 2 320.374 1.740 20 30 DDEDLN Cc1c(S(=O)(=O)Nc2ccccc2O[C@H](C)C#N)cnn1C ZINC000291973344 408955401 /nfs/dbraw/zinc/95/54/01/408955401.db2.gz UBWXLBJEZGZTBZ-SNVBAGLBSA-N 0 2 320.374 1.820 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)c1C#N ZINC000357264476 409951888 /nfs/dbraw/zinc/95/18/88/409951888.db2.gz WCTMOGFAAQXNJF-UHFFFAOYSA-N 0 2 310.273 2.232 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2nc3c(s2)COCC3)c1 ZINC000357364218 409993334 /nfs/dbraw/zinc/99/33/34/409993334.db2.gz AGZXZCVOKQLPTE-UHFFFAOYSA-N 0 2 322.371 1.283 20 30 DDEDLN CC(C)(C)OC(=O)NCCCC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000299234764 410575742 /nfs/dbraw/zinc/57/57/42/410575742.db2.gz GHBASGQEEAQFDX-UHFFFAOYSA-N 0 2 318.337 1.396 20 30 DDEDLN N#Cc1cccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 ZINC000131603091 196183614 /nfs/dbraw/zinc/18/36/14/196183614.db2.gz KYYJWTSMFHNJSR-CYBMUJFWSA-N 0 2 318.358 1.517 20 30 DDEDLN N#CCCn1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000194634699 222180740 /nfs/dbraw/zinc/18/07/40/222180740.db2.gz KLUQQNZBSWZQDV-UHFFFAOYSA-N 0 2 321.318 1.506 20 30 DDEDLN C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2cc[nH+]cc2C)CC1 ZINC000493614940 420897170 /nfs/dbraw/zinc/89/71/70/420897170.db2.gz IZLTUKHSBUBSMG-PLNGDYQASA-N 0 2 306.387 1.958 20 30 DDEDLN Cc1[nH]ncc1CNS(=O)(=O)Cc1ccc(C#N)cc1F ZINC000561495201 421326679 /nfs/dbraw/zinc/32/66/79/421326679.db2.gz LBJPSAVQLMVNON-UHFFFAOYSA-N 0 2 308.338 1.349 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](CO)CC(C)(C)C)cc1C#N ZINC000351707329 269817560 /nfs/dbraw/zinc/81/75/60/269817560.db2.gz XUIKKTBJMGYEQS-JTQLQIEISA-N 0 2 323.418 1.908 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cc4n(n3)CCCO4)nc21 ZINC000573160849 421929303 /nfs/dbraw/zinc/92/93/03/421929303.db2.gz JHFGCECGCUREJS-JTQLQIEISA-N 0 2 322.328 1.735 20 30 DDEDLN C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365239868 267054530 /nfs/dbraw/zinc/05/45/30/267054530.db2.gz GBECVJGQAHEOAX-QAPCUYQASA-N 0 2 315.465 1.355 20 30 DDEDLN N#Cc1nc(NC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)[n-]c1C#N ZINC000371468753 268324138 /nfs/dbraw/zinc/32/41/38/268324138.db2.gz XQPRWQVFSMIMOJ-NSHDSACASA-N 0 2 321.344 1.403 20 30 DDEDLN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cocn2)C1=O ZINC000104824100 332248335 /nfs/dbraw/zinc/24/83/35/332248335.db2.gz DTJDZXOHGXVHIJ-OAHLLOKOSA-N 0 2 322.365 1.990 20 30 DDEDLN C=CCONC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C ZINC000495929437 339994994 /nfs/dbraw/zinc/99/49/94/339994994.db2.gz OUVBIUSBLQIYNE-LBPRGKRZSA-N 0 2 314.382 1.636 20 30 DDEDLN C[N@@H+]1CCc2nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])sc2C1 ZINC000820631049 597628972 /nfs/dbraw/zinc/62/89/72/597628972.db2.gz NOGSPGLVCOQBEF-ZDUSSCGKSA-N 0 2 308.363 1.074 20 30 DDEDLN C[N@H+]1CCc2nc(NC(=O)[C@](C)(C#N)CC(=O)[O-])sc2C1 ZINC000820631049 597628974 /nfs/dbraw/zinc/62/89/74/597628974.db2.gz NOGSPGLVCOQBEF-ZDUSSCGKSA-N 0 2 308.363 1.074 20 30 DDEDLN CC(C)[C@@H]([NH2+]Cc1nnc(-c2cccc(C#N)c2)o1)C(=O)[O-] ZINC000820049143 598189655 /nfs/dbraw/zinc/18/96/55/598189655.db2.gz GXEGNKVPGGUMFT-CYBMUJFWSA-N 0 2 300.318 1.807 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2N1CCC[C@H](C(=O)[O-])C1 ZINC000739075164 600823765 /nfs/dbraw/zinc/82/37/65/600823765.db2.gz AIOUPKNEZJGVHR-JTQLQIEISA-N 0 2 300.322 1.041 20 30 DDEDLN C[C@]1(C(=O)[O-])CCN(c2[nH+]cnc3c2cnn3CCC#N)C1 ZINC000828035281 601864763 /nfs/dbraw/zinc/86/47/63/601864763.db2.gz KTOXCVADKZRRGW-AWEZNQCLSA-N 0 2 300.322 1.041 20 30 DDEDLN C[C@@H](CNC(=O)[O-])[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000738937848 602559066 /nfs/dbraw/zinc/55/90/66/602559066.db2.gz GKORNMZAWCLIKQ-VIFPVBQESA-N 0 2 324.768 1.738 20 30 DDEDLN C[C@@H](CNC(=O)[O-])[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000738937848 602559068 /nfs/dbraw/zinc/55/90/68/602559068.db2.gz GKORNMZAWCLIKQ-VIFPVBQESA-N 0 2 324.768 1.738 20 30 DDEDLN CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739404235 602836200 /nfs/dbraw/zinc/83/62/00/602836200.db2.gz PEAOLOKYGNITQK-UPJWGTAASA-N 0 2 310.398 1.067 20 30 DDEDLN CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)N(C(=O)[O-])[C@@H](C)C1 ZINC000739404235 602836202 /nfs/dbraw/zinc/83/62/02/602836202.db2.gz PEAOLOKYGNITQK-UPJWGTAASA-N 0 2 310.398 1.067 20 30 DDEDLN CN(CC[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O)C(=O)[O-] ZINC000833873877 605525767 /nfs/dbraw/zinc/52/57/67/605525767.db2.gz OHIADFAADZIJOP-LLVKDONJSA-N 0 2 322.390 1.267 20 30 DDEDLN CN(CC[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O)C(=O)[O-] ZINC000833873877 605525769 /nfs/dbraw/zinc/52/57/69/605525769.db2.gz OHIADFAADZIJOP-LLVKDONJSA-N 0 2 322.390 1.267 20 30 DDEDLN O=c1c(-c2nn[nH]n2)cccn1CC#Cc1ccc(Cl)cc1 ZINC000823656510 606638199 /nfs/dbraw/zinc/63/81/99/606638199.db2.gz FIWGRYXYSVZFTK-UHFFFAOYSA-N 0 2 311.732 1.734 20 30 DDEDLN COc1ccc(OCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000122987985 696727429 /nfs/dbraw/zinc/72/74/29/696727429.db2.gz URKHKWHIZNZHLU-CYBMUJFWSA-N 0 2 313.313 1.399 20 30 DDEDLN N#Cc1c(N)n[nH]c1CCCN=Cc1cc([N+](=O)[O-])ccc1O ZINC000022728487 696079393 /nfs/dbraw/zinc/07/93/93/696079393.db2.gz OPHXWCXCTCCWGP-CAOOACKPSA-N 0 2 314.305 1.529 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cn1 ZINC000747407688 700068484 /nfs/dbraw/zinc/06/84/84/700068484.db2.gz SVKUCSGFZJVVGP-UHFFFAOYSA-N 0 2 321.749 1.733 20 30 DDEDLN Cn1c2ccccc2nc1[C@H](C#N)C(=O)COC[C@H]1CCCO1 ZINC000113650847 696658092 /nfs/dbraw/zinc/65/80/92/696658092.db2.gz NAWSSGHZZHMVAR-CHWSQXEVSA-N 0 2 313.357 1.945 20 30 DDEDLN CC(C)(CNN=Cc1cc([N+](=O)[O-])ccc1O)S(C)(=O)=O ZINC000774489152 697885434 /nfs/dbraw/zinc/88/54/34/697885434.db2.gz SKZRAADYBBJVDH-UHFFFAOYSA-N 0 2 315.351 1.047 20 30 DDEDLN C#C[C@@H](CC)NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000753263742 700418860 /nfs/dbraw/zinc/41/88/60/700418860.db2.gz GYLNDXMHLVKUBL-VIFPVBQESA-N 0 2 304.375 1.950 20 30 DDEDLN Cc1cccc2[nH+]cc(/C=C\C(=O)c3cnc([O-])n(C)c3=O)n21 ZINC000761805639 700869784 /nfs/dbraw/zinc/86/97/84/700869784.db2.gz JCJLFKXLZNHBFU-SREVYHEPSA-N 0 2 310.313 1.338 20 30 DDEDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC000766321369 701047072 /nfs/dbraw/zinc/04/70/72/701047072.db2.gz MUUCBHVXVSCVQA-UHFFFAOYSA-N 0 2 322.394 1.066 20 30 DDEDLN Cc1nn(C)c(C)c1[C@H](C)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770861915 701298176 /nfs/dbraw/zinc/29/81/76/701298176.db2.gz HTRWDQGUAOSKLI-JOYOIKCWSA-N 0 2 313.361 1.466 20 30 DDEDLN C[C@@H]1CCCC[C@H]1OCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770875608 701298692 /nfs/dbraw/zinc/29/86/92/701298692.db2.gz DDALNBQJVKHGKQ-MBNYWOFBSA-N 0 2 303.362 1.907 20 30 DDEDLN O=C(C#Cc1cccs1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000843873822 702936040 /nfs/dbraw/zinc/93/60/40/702936040.db2.gz UOOZEBNTHDGZCY-UHFFFAOYSA-N 0 2 302.359 1.330 20 30 DDEDLN C#CC[C@@H](CO)NC(=O)c1cc(Br)c(F)cc1O ZINC000854543990 704415129 /nfs/dbraw/zinc/41/51/29/704415129.db2.gz ZHOPFHJOBCHRTE-ZETCQYMHSA-N 0 2 316.126 1.408 20 30 DDEDLN C#CC[C@H](CO)NC(=O)c1cc(Br)c(F)cc1O ZINC000854543989 704415140 /nfs/dbraw/zinc/41/51/40/704415140.db2.gz ZHOPFHJOBCHRTE-SSDOTTSWSA-N 0 2 316.126 1.408 20 30 DDEDLN CCC[C@@H](C#N)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000858994385 704782001 /nfs/dbraw/zinc/78/20/01/704782001.db2.gz KMGKPWBYZOKCPD-QMMMGPOBSA-N 0 2 317.267 1.880 20 30 DDEDLN C#C[C@@H](CC)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000861309221 705426388 /nfs/dbraw/zinc/42/63/88/705426388.db2.gz MMJOIDKOAYHFQN-QMMMGPOBSA-N 0 2 302.252 1.600 20 30 DDEDLN C=CC[C@H](C(=O)OC)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000878443860 706389329 /nfs/dbraw/zinc/38/93/29/706389329.db2.gz UHBGVCOLIAFPTC-SNVBAGLBSA-N 0 2 307.375 1.946 20 30 DDEDLN Cc1nc(SCC(=O)NOCC(C)(C)O)c(C#N)c(C)c1C ZINC000834628619 707095928 /nfs/dbraw/zinc/09/59/28/707095928.db2.gz SSCPYOMAVMJTPF-UHFFFAOYSA-N 0 2 323.418 1.789 20 30 DDEDLN Cn1ncc2c1nc(N=NC1CC[C@H]3COCC[C@H]3C1)[nH]c2=O ZINC000901197264 709963714 /nfs/dbraw/zinc/96/37/14/709963714.db2.gz WAAMCRGHJQEZLT-UWVGGRQHSA-N 0 2 316.365 1.673 20 30 DDEDLN C#CCN1CCC[C@H]1C(=O)Nc1nccc(Br)c1O ZINC000913025274 713146223 /nfs/dbraw/zinc/14/62/23/713146223.db2.gz LHMXDRVFMQFWKC-JTQLQIEISA-N 0 2 324.178 1.586 20 30 DDEDLN CCC#CCOC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000893833483 710849535 /nfs/dbraw/zinc/84/95/35/710849535.db2.gz RIIUFFSRZNTPHY-UHFFFAOYSA-N 0 2 302.355 1.792 20 30 DDEDLN Cc1cc(C#N)cc(C)c1CS(=O)(=O)NCC(F)(F)CN ZINC000903517796 711163923 /nfs/dbraw/zinc/16/39/23/711163923.db2.gz MDISRYNETRESTC-UHFFFAOYSA-N 0 2 317.361 1.189 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccnn2[C@H]2CCOC2)cc1 ZINC000903667754 711240490 /nfs/dbraw/zinc/24/04/90/711240490.db2.gz FCXNLHLKZLOZMS-LBPRGKRZSA-N 0 2 318.358 1.517 20 30 DDEDLN CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NC1(C#N)CCCCC1 ZINC000906061265 712233882 /nfs/dbraw/zinc/23/38/82/712233882.db2.gz GJOOLKBRLLEVFQ-LJQANCHMSA-N 0 2 321.468 1.944 20 30 DDEDLN C=CCN(CC(=O)[O-])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000908772400 712851804 /nfs/dbraw/zinc/85/18/04/712851804.db2.gz VOFAGFACTRPTHP-UHFFFAOYSA-N 0 2 318.377 1.464 20 30 DDEDLN CC[C@](C)(C#N)C(=O)N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000923110501 714239769 /nfs/dbraw/zinc/23/97/69/714239769.db2.gz AWNPSJJDGUDKCH-MRXNPFEDSA-N 0 2 316.361 1.368 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000941291709 717147819 /nfs/dbraw/zinc/14/78/19/717147819.db2.gz UCZRUMBAEWRFII-BDAKNGLRSA-N 0 2 309.263 1.107 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000941291709 717147820 /nfs/dbraw/zinc/14/78/20/717147820.db2.gz UCZRUMBAEWRFII-BDAKNGLRSA-N 0 2 309.263 1.107 20 30 DDEDLN C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000968925504 719875790 /nfs/dbraw/zinc/87/57/90/719875790.db2.gz FPWDPPLHBXCLGM-JKSUJKDBSA-N 0 2 316.449 1.992 20 30 DDEDLN Cc1nsc(N(C)CCNC(=O)C(F)C(F)(F)F)c1C#N ZINC001100367163 739153763 /nfs/dbraw/zinc/15/37/63/739153763.db2.gz UOOYUMYFHKRGPS-MRVPVSSYSA-N 0 2 324.303 1.776 20 30 DDEDLN Cc1nsc(N(C)CCNC(=O)[C@@H](F)C(F)(F)F)c1C#N ZINC001100367163 739153766 /nfs/dbraw/zinc/15/37/66/739153766.db2.gz UOOYUMYFHKRGPS-MRVPVSSYSA-N 0 2 324.303 1.776 20 30 DDEDLN CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001088187450 741100773 /nfs/dbraw/zinc/10/07/73/741100773.db2.gz YSNDBRILXWXXDM-CVEARBPZSA-N 0 2 314.433 1.156 20 30 DDEDLN C#CC(C)(C)C(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001182635438 743677909 /nfs/dbraw/zinc/67/79/09/743677909.db2.gz DVDZDEVFOTZMRQ-UHFFFAOYSA-N 0 2 323.312 1.571 20 30 DDEDLN CCOC(=O)c1ccc2c(cccc2NS(=O)(=O)CC#N)n1 ZINC001192982151 745940869 /nfs/dbraw/zinc/94/08/69/745940869.db2.gz GNLFFISXCJHKKW-UHFFFAOYSA-N 0 2 319.342 1.677 20 30 DDEDLN CCOC(=O)C(C)(C)S(=O)(=O)Nc1cc(C#N)cnc1C ZINC001193024822 745963171 /nfs/dbraw/zinc/96/31/71/745963171.db2.gz WDXUKIZFVSMSFT-UHFFFAOYSA-N 0 2 311.363 1.345 20 30 DDEDLN COC(=O)c1cccc(Cl)c1NS(=O)(=O)[C@H](C)C#N ZINC001193150138 745997973 /nfs/dbraw/zinc/99/79/73/745997973.db2.gz CONOBKOFZPQJDW-SSDOTTSWSA-N 0 2 302.739 1.780 20 30 DDEDLN N#Cc1cccc(C(=O)NCc2cccc(-c3nn[nH]n3)c2)c1O ZINC001193657886 746168736 /nfs/dbraw/zinc/16/87/36/746168736.db2.gz KGBXQVGUFCNFSP-UHFFFAOYSA-N 0 2 320.312 1.374 20 30 DDEDLN Cc1nc(Cl)sc1S(=O)(=O)Nc1ccnc(C#N)c1 ZINC001201732096 748601420 /nfs/dbraw/zinc/60/14/20/748601420.db2.gz RSWACKHUVWZZRX-UHFFFAOYSA-N 0 2 314.779 1.594 20 30 DDEDLN C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001032484876 750998259 /nfs/dbraw/zinc/99/82/59/750998259.db2.gz QLEOXBASGDFSHV-PMPSAXMXSA-N 0 2 314.433 1.697 20 30 DDEDLN C[C@H](CNc1ccncc1C#N)NC(=O)C(F)C(F)(F)F ZINC001108170739 753347926 /nfs/dbraw/zinc/34/79/26/753347926.db2.gz NFDLEMBRKHGRQD-XCBNKYQSSA-N 0 2 304.247 1.192 20 30 DDEDLN C[C@H](CNc1ccncc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001108170739 753347930 /nfs/dbraw/zinc/34/79/30/753347930.db2.gz NFDLEMBRKHGRQD-XCBNKYQSSA-N 0 2 304.247 1.192 20 30 DDEDLN C#CC[N@H+]1Cc2ccc(CNC(=O)c3[nH]nc(C)c3[O-])cc2C1 ZINC001054261809 759364715 /nfs/dbraw/zinc/36/47/15/759364715.db2.gz VSWSEFCMYSHENN-UHFFFAOYSA-N 0 2 310.357 1.303 20 30 DDEDLN C#CC[N@@H+]1Cc2ccc(CNC(=O)c3[nH]nc(C)c3[O-])cc2C1 ZINC001054261809 759364727 /nfs/dbraw/zinc/36/47/27/759364727.db2.gz VSWSEFCMYSHENN-UHFFFAOYSA-N 0 2 310.357 1.303 20 30 DDEDLN C[C@H](CN(C)c1nccnc1C#N)NC(=O)C(F)C(F)(F)F ZINC001109275652 763538442 /nfs/dbraw/zinc/53/84/42/763538442.db2.gz SWZXMURXVNIEMO-VXNVDRBHSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001109275652 763538445 /nfs/dbraw/zinc/53/84/45/763538445.db2.gz SWZXMURXVNIEMO-VXNVDRBHSA-N 0 2 319.262 1.190 20 30 DDEDLN C#CCN(CC#N)C(=O)C1=NN(c2ccccc2CC)CC1=O ZINC001155223028 861859483 /nfs/dbraw/zinc/85/94/83/861859483.db2.gz RCAKXKFSJBRBRZ-UHFFFAOYSA-N 0 2 308.341 1.739 20 30 DDEDLN C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001034365385 848421154 /nfs/dbraw/zinc/42/11/54/848421154.db2.gz QKSJHKAZZBFNER-OAHLLOKOSA-N 0 2 303.406 1.559 20 30 DDEDLN C=C[C@@H](COC)NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC001320621284 866892849 /nfs/dbraw/zinc/89/28/49/866892849.db2.gz ZNBQQVXHTQKKGG-NSHDSACASA-N 0 2 317.345 1.517 20 30 DDEDLN C#C[C@H]1CCCN(c2nnc(-c3c[nH]n(CC)c3=O)n2CC)C1 ZINC001341335673 871613607 /nfs/dbraw/zinc/61/36/07/871613607.db2.gz BHVOEGKXJITAIZ-LBPRGKRZSA-N 0 2 314.393 1.737 20 30 DDEDLN C=CC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)C(=O)[O-] ZINC001350760232 875873876 /nfs/dbraw/zinc/87/38/76/875873876.db2.gz WMHAVRUCNPWQCD-CYBMUJFWSA-N 0 2 318.377 1.510 20 30 DDEDLN Cc1sc(C(N)=O)cc1NC(=O)c1[nH]c(=O)c(C#N)cc1C ZINC001362253748 883413249 /nfs/dbraw/zinc/41/32/49/883413249.db2.gz KWWVOSRYWNSGCT-UHFFFAOYSA-N 0 2 316.342 1.688 20 30 DDEDLN CCc1nc([C@@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)cs1 ZINC001363153511 885596595 /nfs/dbraw/zinc/59/65/95/885596595.db2.gz VEDGGAJTLOJMGH-SSDOTTSWSA-N 0 2 305.363 1.137 20 30 DDEDLN Cn1c(=O)[nH]c(NCC(F)(F)c2cccc(F)c2)c(C#N)c1=O ZINC001363742414 887118041 /nfs/dbraw/zinc/11/80/41/887118041.db2.gz GPVUFIALEUJAGB-UHFFFAOYSA-N 0 2 324.262 1.288 20 30 DDEDLN CC[C@H](C#CC(=O)OC)Oc1cc(O)cc2occc(=O)c12 ZINC001233835474 887371698 /nfs/dbraw/zinc/37/16/98/887371698.db2.gz YSBDQNXNQRCHHG-LLVKDONJSA-N 0 2 302.282 1.832 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC001255370889 896869057 /nfs/dbraw/zinc/86/90/57/896869057.db2.gz GCBZPBRUEIVPIM-CYBMUJFWSA-N 0 2 310.375 1.544 20 30 DDEDLN N#Cc1ccc2[nH]c(-c3nnc([C@@H]4CCOC4)o3)cc(=O)c2c1 ZINC001255524021 896985796 /nfs/dbraw/zinc/98/57/96/896985796.db2.gz NINQVNGLWPKTBR-SNVBAGLBSA-N 0 2 308.297 1.954 20 30 DDEDLN CN(C(=O)C(F)C(F)(F)F)C1CN(CCC(F)(F)F)C1 ZINC001368078747 898650728 /nfs/dbraw/zinc/65/07/28/898650728.db2.gz ZMDOBSYBWSSQOH-SSDOTTSWSA-N 0 2 310.213 1.982 20 30 DDEDLN CN(C(=O)[C@@H](F)C(F)(F)F)C1CN(CCC(F)(F)F)C1 ZINC001368078747 898650741 /nfs/dbraw/zinc/65/07/41/898650741.db2.gz ZMDOBSYBWSSQOH-SSDOTTSWSA-N 0 2 310.213 1.982 20 30 DDEDLN Cn1cnc(NS(=O)(=O)CCc2ccccc2F)c1C#N ZINC001259780911 898796229 /nfs/dbraw/zinc/79/62/29/898796229.db2.gz JAMWEAPZFLJHHB-UHFFFAOYSA-N 0 2 308.338 1.415 20 30 DDEDLN N#Cc1ccc(CS(=O)(=O)Nc2ncc(F)cc2O)cc1 ZINC001260038861 899022130 /nfs/dbraw/zinc/02/21/30/899022130.db2.gz CHEODWBLXZXXEM-UHFFFAOYSA-N 0 2 307.306 1.740 20 30 DDEDLN COc1ccc(F)cc1S(=O)(=O)Nc1ccnc(C#N)c1 ZINC001260644214 899197702 /nfs/dbraw/zinc/19/77/02/899197702.db2.gz SBZNWKAPNHACFT-UHFFFAOYSA-N 0 2 307.306 1.324 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC001260985227 899315056 /nfs/dbraw/zinc/31/50/56/899315056.db2.gz PTTFYUOQQMOUFW-CQSZACIVSA-N 0 2 322.386 1.299 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)C(=O)C#CC(C)C ZINC001284621941 909265577 /nfs/dbraw/zinc/26/55/77/909265577.db2.gz NQOCQAZLXAQNQU-NSHDSACASA-N 0 2 310.291 1.511 20 30 DDEDLN CCN(CCNC(=O)[C@H](F)C(F)(F)F)C(=O)C#CC(C)C ZINC001284621941 909265593 /nfs/dbraw/zinc/26/55/93/909265593.db2.gz NQOCQAZLXAQNQU-NSHDSACASA-N 0 2 310.291 1.511 20 30 DDEDLN C=C[C@](C)(CC)C(=O)NC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001284941438 909780283 /nfs/dbraw/zinc/78/02/83/909780283.db2.gz RGTICRRUQCLBKA-BXKDBHETSA-N 0 2 310.291 1.816 20 30 DDEDLN C=C[C@](C)(CC)C(=O)NC1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001284941438 909780294 /nfs/dbraw/zinc/78/02/94/909780294.db2.gz RGTICRRUQCLBKA-BXKDBHETSA-N 0 2 310.291 1.816 20 30 DDEDLN CC(C)C#CC(=O)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001295041539 915527793 /nfs/dbraw/zinc/52/77/93/915527793.db2.gz VXTITNLPHZCCHI-ONGXEEELSA-N 0 2 308.275 1.263 20 30 DDEDLN CC(C)C#CC(=O)N[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001295041539 915527808 /nfs/dbraw/zinc/52/78/08/915527808.db2.gz VXTITNLPHZCCHI-ONGXEEELSA-N 0 2 308.275 1.263 20 30 DDEDLN C=C(C)C[C@@H](NC(C)=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000622795151 365528670 /nfs/dbraw/zinc/52/86/70/365528670.db2.gz DUAZMXXDKGTDDO-SNVBAGLBSA-N 0 2 310.423 1.667 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1c2c(nn1C)CCC2 ZINC000270467949 186399743 /nfs/dbraw/zinc/39/97/43/186399743.db2.gz LPSBAECCCJRWCE-UHFFFAOYSA-N 0 2 316.386 1.890 20 30 DDEDLN N#Cc1nc(NC(=O)c2cccc(N3CCOC3=O)c2)[nH]c1C#N ZINC000490687035 234030560 /nfs/dbraw/zinc/03/05/60/234030560.db2.gz BLNPXPFYEGSMKA-UHFFFAOYSA-N 0 2 322.284 1.362 20 30 DDEDLN C=CCN(C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)[C@@H](C)COC ZINC000617577420 363191286 /nfs/dbraw/zinc/19/12/86/363191286.db2.gz OECCVUDFZMCVJS-VIFPVBQESA-N 0 2 318.333 1.099 20 30 DDEDLN N#CCc1cccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000589657465 355010611 /nfs/dbraw/zinc/01/06/11/355010611.db2.gz SKBKXWBUIJRINM-UHFFFAOYSA-N 0 2 318.314 1.279 20 30 DDEDLN COC(C)(C)c1nc(=NC(=O)Cc2cccc(C#N)c2)s[nH]1 ZINC000601796654 358698075 /nfs/dbraw/zinc/69/80/75/358698075.db2.gz QVNFZZXILWVBPM-UHFFFAOYSA-N 0 2 316.386 1.894 20 30 DDEDLN C=CCOCCCNC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000618523806 363660328 /nfs/dbraw/zinc/66/03/28/363660328.db2.gz QRAUKUPYXNUTSR-UHFFFAOYSA-N 0 2 318.333 1.067 20 30 DDEDLN CC(C)(C)c1noc(CCC(=O)Nc2nc(C#N)c(C#N)[nH]2)n1 ZINC000042364948 183259378 /nfs/dbraw/zinc/25/93/78/183259378.db2.gz ARGULBXSBSQXDP-UHFFFAOYSA-N 0 2 313.321 1.405 20 30 DDEDLN CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(C#N)cc2)s1 ZINC000339209813 250344548 /nfs/dbraw/zinc/34/45/48/250344548.db2.gz IDVRFIMGTJAQSE-UHFFFAOYSA-N 0 2 322.371 1.774 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1ccccc1N1CCOC1=O ZINC000491921076 286724217 /nfs/dbraw/zinc/72/42/17/286724217.db2.gz ZKEUNEUOHKNRDQ-JTQLQIEISA-N 0 2 309.347 1.687 20 30 DDEDLN N#Cc1nc(NC(=O)c2coc(Br)c2)[nH]c1C#N ZINC000026266302 406903453 /nfs/dbraw/zinc/90/34/53/406903453.db2.gz LWJUAWXGBGRYAO-UHFFFAOYSA-N 0 2 306.079 1.761 20 30 DDEDLN C[C@@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)NC(=O)c1ccccc1 ZINC000026268218 406903475 /nfs/dbraw/zinc/90/34/75/406903475.db2.gz PZHRXRUVCIPRHS-JTQLQIEISA-N 0 2 322.328 1.300 20 30 DDEDLN CCOc1ccc(OCC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000026276048 406903852 /nfs/dbraw/zinc/90/38/52/406903852.db2.gz RTDHBODUTCVECK-UHFFFAOYSA-N 0 2 311.301 1.569 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1c(C)csc1C(=O)OC ZINC000128474383 407538475 /nfs/dbraw/zinc/53/84/75/407538475.db2.gz CHXHHFYABWQXBK-MRVPVSSYSA-N 0 2 302.377 1.887 20 30 DDEDLN COc1ccc(C(=O)CCC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000130092343 407653609 /nfs/dbraw/zinc/65/36/09/407653609.db2.gz QTTAUTRHWQDZFH-UHFFFAOYSA-N 0 2 323.312 1.763 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)C2CC3(CCC3)C2)c1 ZINC000408502441 164353247 /nfs/dbraw/zinc/35/32/47/164353247.db2.gz SOOIWSYGHHQETN-UHFFFAOYSA-N 0 2 305.359 1.338 20 30 DDEDLN CC/N=C1/NC(=O)C(CC(=O)Nc2cccc([N+](=O)[O-])c2)S1 ZINC000298748393 410378042 /nfs/dbraw/zinc/37/80/42/410378042.db2.gz SGCHDXIKIXIZAY-JTQLQIEISA-N 0 2 322.346 1.531 20 30 DDEDLN CC/N=C1/NC(=O)[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S1 ZINC000298748393 410378055 /nfs/dbraw/zinc/37/80/55/410378055.db2.gz SGCHDXIKIXIZAY-JTQLQIEISA-N 0 2 322.346 1.531 20 30 DDEDLN CC[C@@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C(C)(C)O ZINC000358608611 410494319 /nfs/dbraw/zinc/49/43/19/410494319.db2.gz MGFOANRMNDYCDT-SNVBAGLBSA-N 0 2 309.391 1.660 20 30 DDEDLN COCCn1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)n1 ZINC000190897303 222091323 /nfs/dbraw/zinc/09/13/23/222091323.db2.gz IPJVYXAINFPKBR-LBPRGKRZSA-N 0 2 321.340 1.963 20 30 DDEDLN COCCn1ccc(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)n1 ZINC000190897303 222091326 /nfs/dbraw/zinc/09/13/26/222091326.db2.gz IPJVYXAINFPKBR-LBPRGKRZSA-N 0 2 321.340 1.963 20 30 DDEDLN N#CCN(CC#N)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000193966990 222166691 /nfs/dbraw/zinc/16/66/91/222166691.db2.gz KFLRTQPVXRTPBH-UHFFFAOYSA-N 0 2 315.720 1.721 20 30 DDEDLN C=CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)OCC ZINC000456615919 420514921 /nfs/dbraw/zinc/51/49/21/420514921.db2.gz XGMSQEVSHSCYII-LBPRGKRZSA-N 0 2 322.317 1.928 20 30 DDEDLN C=CCC1(S(=O)(=O)[N-]C(=O)/C=C\c2[nH+]ccn2CC)CC1 ZINC000493151239 420770794 /nfs/dbraw/zinc/77/07/94/420770794.db2.gz JLSDONUIHAENSU-WAYWQWQTSA-N 0 2 309.391 1.471 20 30 DDEDLN Cc1cc(C#N)cnc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000581191532 421918734 /nfs/dbraw/zinc/91/87/34/421918734.db2.gz BAHQKSZWYRFQPJ-NSHDSACASA-N 0 2 312.333 1.105 20 30 DDEDLN C=CCN1CC[C@@H]([N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])C1=O ZINC000662233444 424494967 /nfs/dbraw/zinc/49/49/67/424494967.db2.gz DQONTYFVHVGWFN-HUUCEWRRSA-N 0 2 300.358 1.457 20 30 DDEDLN C=CCN1CC[C@@H]([N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])C1=O ZINC000662233444 424494976 /nfs/dbraw/zinc/49/49/76/424494976.db2.gz DQONTYFVHVGWFN-HUUCEWRRSA-N 0 2 300.358 1.457 20 30 DDEDLN N#Cc1ccnc(N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1Cl ZINC000343046137 268290852 /nfs/dbraw/zinc/29/08/52/268290852.db2.gz QIFHRJRQSMWJOQ-UHFFFAOYSA-N 0 2 304.741 1.814 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2noc(C3CC3)n2)c(F)c1 ZINC000546087559 307725708 /nfs/dbraw/zinc/72/57/08/307725708.db2.gz RRPVWYXGZMLLJL-UHFFFAOYSA-N 0 2 308.294 1.759 20 30 DDEDLN N#Cc1c(NS(=O)(=O)CCC2CC2)ncc2c1COCC2 ZINC000572950367 308227951 /nfs/dbraw/zinc/22/79/51/308227951.db2.gz BBQCIVFFQVOOAU-UHFFFAOYSA-N 0 2 307.375 1.568 20 30 DDEDLN C=CCn1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1ccccc1 ZINC000092869666 337909844 /nfs/dbraw/zinc/90/98/44/337909844.db2.gz JMWWZDJPCHQLOM-UHFFFAOYSA-N 0 2 314.374 1.835 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1C[C@]1(C)Br ZINC000528967589 340741002 /nfs/dbraw/zinc/74/10/02/340741002.db2.gz BQMGHGQPEDWVJZ-RWYTXXIDSA-N 0 2 310.151 1.485 20 30 DDEDLN C=CCCn1cc(C[N@@H+](CCc2ccccc2)CC(=O)[O-])nn1 ZINC000655921942 484022993 /nfs/dbraw/zinc/02/29/93/484022993.db2.gz QWOFFFUJXAYKJW-UHFFFAOYSA-N 0 2 314.389 1.984 20 30 DDEDLN C=CCCn1cc(C[N@H+](CCc2ccccc2)CC(=O)[O-])nn1 ZINC000655921942 484023000 /nfs/dbraw/zinc/02/30/00/484023000.db2.gz QWOFFFUJXAYKJW-UHFFFAOYSA-N 0 2 314.389 1.984 20 30 DDEDLN C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1n[nH]c(C)c1O ZINC000672217912 485259710 /nfs/dbraw/zinc/25/97/10/485259710.db2.gz DAHGFDOUXLCSEO-UHFFFAOYSA-N 0 2 305.334 1.728 20 30 DDEDLN Cn1nnc2c1nccc2C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000338626732 534339348 /nfs/dbraw/zinc/33/93/48/534339348.db2.gz TZXGYUHIHOPGAY-SNVBAGLBSA-N 0 2 317.312 1.730 20 30 DDEDLN C=CCCOCCNC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000339891029 527363881 /nfs/dbraw/zinc/36/38/81/527363881.db2.gz NXJJHOODRMEXNO-UHFFFAOYSA-N 0 2 318.333 1.067 20 30 DDEDLN C[C@H](CNC(=O)[O-])[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000738943161 602562381 /nfs/dbraw/zinc/56/23/81/602562381.db2.gz YWMNFXJPOWDMNG-CYBMUJFWSA-N 0 2 318.377 1.521 20 30 DDEDLN C[C@H](CNC(=O)[O-])[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000738943161 602562383 /nfs/dbraw/zinc/56/23/83/602562383.db2.gz YWMNFXJPOWDMNG-CYBMUJFWSA-N 0 2 318.377 1.521 20 30 DDEDLN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000738631164 602821233 /nfs/dbraw/zinc/82/12/33/602821233.db2.gz MLPOGXJGFHDCCK-GFCCVEGCSA-N 0 2 316.361 1.571 20 30 DDEDLN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000738631164 602821236 /nfs/dbraw/zinc/82/12/36/602821236.db2.gz MLPOGXJGFHDCCK-GFCCVEGCSA-N 0 2 316.361 1.571 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])CCN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000831091455 603726197 /nfs/dbraw/zinc/72/61/97/603726197.db2.gz FFWZMFGQRHWPSC-OAHLLOKOSA-N 0 2 311.345 1.560 20 30 DDEDLN N#Cc1ccc(C[NH+]2CCN([C@@H]3CCN(C(=O)[O-])C3)CC2)cc1 ZINC000833971287 605581322 /nfs/dbraw/zinc/58/13/22/605581322.db2.gz CWLSQKXJXIIOBX-MRXNPFEDSA-N 0 2 314.389 1.428 20 30 DDEDLN Cc1cccc2[nH]c([C@H](C#N)C(=O)[C@@H](C)n3cnc(C#N)n3)nc21 ZINC000798831414 700100076 /nfs/dbraw/zinc/10/00/76/700100076.db2.gz IKXUCCPYTDWBLU-GHMZBOCLSA-N 0 2 319.328 1.772 20 30 DDEDLN Cc1cccc2nc([C@H](C#N)C(=O)[C@@H](C)n3cnc(C#N)n3)[nH]c21 ZINC000798831414 700100079 /nfs/dbraw/zinc/10/00/79/700100079.db2.gz IKXUCCPYTDWBLU-GHMZBOCLSA-N 0 2 319.328 1.772 20 30 DDEDLN C[C@H](C#N)Oc1ccccc1NS(=O)(=O)C[C@@H]1CCCO1 ZINC000183128313 697483817 /nfs/dbraw/zinc/48/38/17/697483817.db2.gz YREQQFYOPCAGJN-NEPJUHHUSA-N 0 2 310.375 1.898 20 30 DDEDLN Cc1cc(=O)nc(NN=C2CC[C@H](C)C[C@H]2n2cncn2)[nH]1 ZINC000794448658 699810555 /nfs/dbraw/zinc/81/05/55/699810555.db2.gz RFJMQCCORZSHOY-JOYOIKCWSA-N 0 2 301.354 1.911 20 30 DDEDLN Cc1cc(=O)[nH]c(N=NC2CC[C@H](C)C[C@H]2n2cncn2)n1 ZINC000794448658 699810558 /nfs/dbraw/zinc/81/05/58/699810558.db2.gz RFJMQCCORZSHOY-JOYOIKCWSA-N 0 2 301.354 1.911 20 30 DDEDLN C=CCNC(=O)COC(=O)c1nn(-c2ccccc2F)cc1O ZINC000801378095 700301943 /nfs/dbraw/zinc/30/19/43/700301943.db2.gz KFOPDCKETOPZPA-UHFFFAOYSA-N 0 2 319.292 1.176 20 30 DDEDLN N#CC(C(=O)CNC(=O)Cc1cccc(F)c1)c1ccncn1 ZINC000760334560 700802901 /nfs/dbraw/zinc/80/29/01/700802901.db2.gz POQHPPJBIXKPMM-ZDUSSCGKSA-N 0 2 312.304 1.151 20 30 DDEDLN N#C[C@H](C(=O)CNC(=O)Cc1cccc(F)c1)c1ccncn1 ZINC000760334560 700802904 /nfs/dbraw/zinc/80/29/04/700802904.db2.gz POQHPPJBIXKPMM-ZDUSSCGKSA-N 0 2 312.304 1.151 20 30 DDEDLN C=CCOc1cc(OC)ccc1C(=O)OCc1n[nH]c(=O)[nH]1 ZINC000766809885 701063642 /nfs/dbraw/zinc/06/36/42/701063642.db2.gz JYPBAUNRUSUPAK-UHFFFAOYSA-N 0 2 305.290 1.441 20 30 DDEDLN C#CCN(Cc1ccccc1)C(=O)C[C@H]1SC(=N)NC1=O ZINC000804835818 701215478 /nfs/dbraw/zinc/21/54/78/701215478.db2.gz BWRDBAITRNJQHW-GFCCVEGCSA-N 0 2 301.371 1.205 20 30 DDEDLN Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1C#N ZINC000839757882 701812203 /nfs/dbraw/zinc/81/22/03/701812203.db2.gz GCDYFKYIZGGCRT-LBPRGKRZSA-N 0 2 311.345 1.710 20 30 DDEDLN N#CCCOCCOC(=O)c1nn(-c2ccccc2F)cc1O ZINC000815241998 701830107 /nfs/dbraw/zinc/83/01/07/701830107.db2.gz FIHHOUSILNDYIX-UHFFFAOYSA-N 0 2 319.292 1.804 20 30 DDEDLN O=C(NCCOCC(F)(F)C(F)F)C(F)C(F)(F)F ZINC000811460005 701990487 /nfs/dbraw/zinc/99/04/87/701990487.db2.gz VFVMVHRKVZDLCQ-SCSAIBSYSA-N 0 2 303.149 1.920 20 30 DDEDLN O=C(NCCOCC(F)(F)C(F)F)[C@@H](F)C(F)(F)F ZINC000811460005 701990490 /nfs/dbraw/zinc/99/04/90/701990490.db2.gz VFVMVHRKVZDLCQ-SCSAIBSYSA-N 0 2 303.149 1.920 20 30 DDEDLN C=CCONC(=O)CSCC(=O)N(C)C1CCCCC1 ZINC000837043032 707569623 /nfs/dbraw/zinc/56/96/23/707569623.db2.gz JREGAYCHSGYJKS-UHFFFAOYSA-N 0 2 300.424 1.745 20 30 DDEDLN N#Cc1nc(N2CC(CNC(=O)C(F)(F)F)C2)ccc1Cl ZINC000866294363 706667384 /nfs/dbraw/zinc/66/73/84/706667384.db2.gz OTDGILVKRIRXTA-UHFFFAOYSA-N 0 2 318.686 1.721 20 30 DDEDLN O=C(C#Cc1cccs1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000843877553 702937055 /nfs/dbraw/zinc/93/70/55/702937055.db2.gz GWWUNNIUOLWCRI-SNVBAGLBSA-N 0 2 302.359 1.330 20 30 DDEDLN O=C(N[C@@H]1CCN(O)C1=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000820119629 704223803 /nfs/dbraw/zinc/22/38/03/704223803.db2.gz CQTJSYGNKHJCAS-MRVPVSSYSA-N 0 2 310.260 1.220 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1)C(=O)[O-] ZINC000909712987 709592727 /nfs/dbraw/zinc/59/27/27/709592727.db2.gz CMQMZEJRYAPVPV-MELADBBJSA-N 0 2 312.410 1.411 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1)C(=O)[O-] ZINC000909712987 709592730 /nfs/dbraw/zinc/59/27/30/709592730.db2.gz CMQMZEJRYAPVPV-MELADBBJSA-N 0 2 312.410 1.411 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000910295613 709873696 /nfs/dbraw/zinc/87/36/96/709873696.db2.gz GGBGYZXUZDSVNR-XHSDSOJGSA-N 0 2 312.369 1.911 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000910295613 709873700 /nfs/dbraw/zinc/87/37/00/709873700.db2.gz GGBGYZXUZDSVNR-XHSDSOJGSA-N 0 2 312.369 1.911 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(C=NNC(=S)NC[C@@H]2CCCO2)c1 ZINC000916311320 713450734 /nfs/dbraw/zinc/45/07/34/713450734.db2.gz AZVKJTDUOFIZHO-NSHDSACASA-N 0 2 324.362 1.277 20 30 DDEDLN N#CCN1CCOC2(CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC000949370382 720044541 /nfs/dbraw/zinc/04/45/41/720044541.db2.gz RATMDMMKPKHPAJ-JTQLQIEISA-N 0 2 323.290 1.104 20 30 DDEDLN N#CCN1CCOC2(CCN(C(=O)[C@H](F)C(F)(F)F)CC2)C1 ZINC000949370382 720044543 /nfs/dbraw/zinc/04/45/43/720044543.db2.gz RATMDMMKPKHPAJ-JTQLQIEISA-N 0 2 323.290 1.104 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1n[nH]c(=O)[nH]1 ZINC001029453816 740825909 /nfs/dbraw/zinc/82/59/09/740825909.db2.gz LJLNJAFQEGOREV-OZVIIMIRSA-N 0 2 319.409 1.288 20 30 DDEDLN C[C@@H]1[C@@H](NC(=O)c2ncn[nH]2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088929329 744373368 /nfs/dbraw/zinc/37/33/68/744373368.db2.gz VCDOZQNNGKSPJD-RISCZKNCSA-N 0 2 310.361 1.069 20 30 DDEDLN N#Cc1ccc(F)c(S(=O)(=O)Nc2ccnn2CCF)c1 ZINC001190619483 745260601 /nfs/dbraw/zinc/26/06/01/745260601.db2.gz OGNOQTPJKBAZJT-UHFFFAOYSA-N 0 2 312.301 1.664 20 30 DDEDLN CC(C)C[C@H](NC(=O)c1cc(F)c(O)cc1F)C(=O)NO ZINC001192887606 745920862 /nfs/dbraw/zinc/92/08/62/745920862.db2.gz KFDNQNLPWHHQHN-JTQLQIEISA-N 0 2 302.277 1.320 20 30 DDEDLN N#CCS(=O)(=O)Nc1nc(F)cc(C(F)(F)F)c1F ZINC001192935469 745939452 /nfs/dbraw/zinc/93/94/52/745939452.db2.gz SACZPGRPOPDXIM-UHFFFAOYSA-N 0 2 301.196 1.644 20 30 DDEDLN C[C@H](C#N)S(=O)(=O)Nc1cnc(Br)c(F)c1 ZINC001193112915 745982917 /nfs/dbraw/zinc/98/29/17/745982917.db2.gz WOBKPVBVUVSECW-RXMQYKEDSA-N 0 2 308.132 1.637 20 30 DDEDLN CCOC(=O)c1cc(NC(=O)c2cccc(C#N)c2O)[nH]n1 ZINC001193634779 746156341 /nfs/dbraw/zinc/15/63/41/746156341.db2.gz JEYHIQNJPPOAPS-UHFFFAOYSA-N 0 2 300.274 1.416 20 30 DDEDLN C[Si](C)(C)CCS(=O)(=O)Nc1c(C#N)cnc2ccnn21 ZINC001195040271 746515096 /nfs/dbraw/zinc/51/50/96/746515096.db2.gz CHHWDHFMTZMJGC-UHFFFAOYSA-N 0 2 323.454 1.681 20 30 DDEDLN N#Cc1cnccc1NC/C=C/CNC(=O)C(F)C(F)(F)F ZINC001107561841 750139604 /nfs/dbraw/zinc/13/96/04/750139604.db2.gz PFICNTFANNQVTE-FMBMQGQPSA-N 0 2 316.258 1.360 20 30 DDEDLN N#Cc1cnccc1NC/C=C/CNC(=O)[C@@H](F)C(F)(F)F ZINC001107561841 750139605 /nfs/dbraw/zinc/13/96/05/750139605.db2.gz PFICNTFANNQVTE-FMBMQGQPSA-N 0 2 316.258 1.360 20 30 DDEDLN C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)C(F)C(F)(F)F ZINC001109274355 763536991 /nfs/dbraw/zinc/53/69/91/763536991.db2.gz DJOVOONSAQRGQM-KCJUWKMLSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CN(C)c1ccc(C#N)nc1)NC(=O)[C@H](F)C(F)(F)F ZINC001109274355 763536995 /nfs/dbraw/zinc/53/69/95/763536995.db2.gz DJOVOONSAQRGQM-KCJUWKMLSA-N 0 2 318.274 1.795 20 30 DDEDLN C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001131972717 768518956 /nfs/dbraw/zinc/51/89/56/768518956.db2.gz USSSANUZKCSODQ-STQMWFEESA-N 0 2 319.409 1.173 20 30 DDEDLN C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001131972717 768518961 /nfs/dbraw/zinc/51/89/61/768518961.db2.gz USSSANUZKCSODQ-STQMWFEESA-N 0 2 319.409 1.173 20 30 DDEDLN O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001070707565 768685739 /nfs/dbraw/zinc/68/57/39/768685739.db2.gz ATJHDWCBFQYXPN-PWSUYJOCSA-N 0 2 320.286 1.407 20 30 DDEDLN O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001070707565 768685741 /nfs/dbraw/zinc/68/57/41/768685741.db2.gz ATJHDWCBFQYXPN-PWSUYJOCSA-N 0 2 320.286 1.407 20 30 DDEDLN CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132234886 768688471 /nfs/dbraw/zinc/68/84/71/768688471.db2.gz GTWFTYWVHQBASY-STQMWFEESA-N 0 2 319.409 1.173 20 30 DDEDLN CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132234886 768688472 /nfs/dbraw/zinc/68/84/72/768688472.db2.gz GTWFTYWVHQBASY-STQMWFEESA-N 0 2 319.409 1.173 20 30 DDEDLN N#Cc1cnn2c1ncc(C#N)c2NC(=O)c1cccc(O)c1O ZINC001148212026 773394630 /nfs/dbraw/zinc/39/46/30/773394630.db2.gz IFNFEKSEYUZCFK-UHFFFAOYSA-N 0 2 320.268 1.136 20 30 DDEDLN C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001098966609 774743741 /nfs/dbraw/zinc/74/37/41/774743741.db2.gz RJLSOBNSVWEVLC-LBPRGKRZSA-N 0 2 321.425 1.583 20 30 DDEDLN C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001098966609 774743743 /nfs/dbraw/zinc/74/37/43/774743743.db2.gz RJLSOBNSVWEVLC-LBPRGKRZSA-N 0 2 321.425 1.583 20 30 DDEDLN Cc1cc(C#N)nc(NCCNC(=O)C(F)C(F)(F)F)n1 ZINC001094182543 775505404 /nfs/dbraw/zinc/50/54/04/775505404.db2.gz GZKIKPULMJMVBL-MRVPVSSYSA-N 0 2 305.235 1.085 20 30 DDEDLN Cc1cc(C#N)nc(NCCNC(=O)[C@@H](F)C(F)(F)F)n1 ZINC001094182543 775505416 /nfs/dbraw/zinc/50/54/16/775505416.db2.gz GZKIKPULMJMVBL-MRVPVSSYSA-N 0 2 305.235 1.085 20 30 DDEDLN C=CCO[C@H](C)C(=O)NCCCNC(=O)C(F)C(F)(F)F ZINC001350153131 837434212 /nfs/dbraw/zinc/43/42/12/837434212.db2.gz ZYMZJJCRKISOLA-RKDXNWHRSA-N 0 2 314.279 1.100 20 30 DDEDLN C=CCO[C@H](C)C(=O)NCCCNC(=O)[C@@H](F)C(F)(F)F ZINC001350153131 837434216 /nfs/dbraw/zinc/43/42/16/837434216.db2.gz ZYMZJJCRKISOLA-RKDXNWHRSA-N 0 2 314.279 1.100 20 30 DDEDLN C#CCCCC(=O)N1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001352852835 838388784 /nfs/dbraw/zinc/38/87/84/838388784.db2.gz DNDRUCRVKZMLMA-ONGXEEELSA-N 0 2 308.275 1.407 20 30 DDEDLN C#CCCCC(=O)N1CC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001352852835 838388789 /nfs/dbraw/zinc/38/87/89/838388789.db2.gz DNDRUCRVKZMLMA-ONGXEEELSA-N 0 2 308.275 1.407 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460712 838464735 /nfs/dbraw/zinc/46/47/35/838464735.db2.gz LJQRDOXERBTPHC-KGLIPLIRSA-N 0 2 318.421 1.200 20 30 DDEDLN C=CCCC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001326655683 861513530 /nfs/dbraw/zinc/51/35/30/861513530.db2.gz PEBOVJIZIOWCAO-HOTGVXAUSA-N 0 2 309.454 1.111 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1=CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001288434543 846012984 /nfs/dbraw/zinc/01/29/84/846012984.db2.gz YWMREGJRKRRTLE-WPRPVWTQSA-N 0 2 321.274 1.321 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1=CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001288434543 846012990 /nfs/dbraw/zinc/01/29/90/846012990.db2.gz YWMREGJRKRRTLE-WPRPVWTQSA-N 0 2 321.274 1.321 20 30 DDEDLN Cc1ccc(C#N)cc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001412884537 855753046 /nfs/dbraw/zinc/75/30/46/855753046.db2.gz MKTKCFAVNAREFE-LBPRGKRZSA-N 0 2 311.345 1.710 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2nnn(C(C)C)n2)ccc1C#N ZINC001413436288 856808863 /nfs/dbraw/zinc/80/88/63/856808863.db2.gz JFAQSMVMWSNDDM-UHFFFAOYSA-N 0 2 306.351 1.235 20 30 DDEDLN CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C2)C1 ZINC001072870332 857823715 /nfs/dbraw/zinc/82/37/15/857823715.db2.gz FPIRVMVYZPATPD-OAHLLOKOSA-N 0 2 312.417 1.003 20 30 DDEDLN N#C[C@H](C(=O)CCc1nnc[nH]1)c1nc(N)c2ccccc2n1 ZINC001122499168 858854420 /nfs/dbraw/zinc/85/44/20/858854420.db2.gz VEAPCRRAYCRGKT-SNVBAGLBSA-N 0 2 307.317 1.139 20 30 DDEDLN CCOC(=O)[C@H]1CC[C@H](Oc2[nH]c(=O)cc(C)c2C#N)CO1 ZINC001226222044 882288906 /nfs/dbraw/zinc/28/89/06/882288906.db2.gz TYUSOQMDWBIKJY-CMPLNLGQSA-N 0 2 306.318 1.457 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N(C)[C@@H](C)CC#N ZINC001339091463 870343291 /nfs/dbraw/zinc/34/32/91/870343291.db2.gz URMBNRRGSLPODO-QMMMGPOBSA-N 0 2 306.761 1.641 20 30 DDEDLN C#CC[C@H]1CCCN(c2nnc(-c3c[nH]n(CC)c3=O)n2C)C1 ZINC001340104082 870894742 /nfs/dbraw/zinc/89/47/42/870894742.db2.gz JQPFRUFJRJPESI-LBPRGKRZSA-N 0 2 314.393 1.644 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCO[C@H](CC)C1 ZINC001340734152 871316506 /nfs/dbraw/zinc/31/65/06/871316506.db2.gz ZGQKOIUZWXRJGZ-SECBINFHSA-N 0 2 323.788 1.518 20 30 DDEDLN C=CC(C)(C)CC(=O)N(C)C1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001316930972 872403528 /nfs/dbraw/zinc/40/35/28/872403528.db2.gz OFFYGKHDOGKRRD-UHFFFAOYSA-N 0 2 321.425 1.535 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1c[nH]c2cnccc12 ZINC001344654044 873068386 /nfs/dbraw/zinc/06/83/86/873068386.db2.gz FVKRSOBQZXPZOJ-LBPRGKRZSA-N 0 2 307.313 1.431 20 30 DDEDLN CC(C)C#CC(=O)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@@H]1C ZINC001345337238 873362332 /nfs/dbraw/zinc/36/23/32/873362332.db2.gz ZBKJVKHBYASOIL-JFGNBEQYSA-N 0 2 322.302 1.652 20 30 DDEDLN CC(C)C#CC(=O)N[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@@H]1C ZINC001345337238 873362344 /nfs/dbraw/zinc/36/23/44/873362344.db2.gz ZBKJVKHBYASOIL-JFGNBEQYSA-N 0 2 322.302 1.652 20 30 DDEDLN C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001350583006 875770107 /nfs/dbraw/zinc/77/01/07/875770107.db2.gz HKRLCGFWWQQYTQ-BDAKNGLRSA-N 0 2 310.291 1.816 20 30 DDEDLN C=CC(C)(C)C(=O)N1CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001350583006 875770117 /nfs/dbraw/zinc/77/01/17/875770117.db2.gz HKRLCGFWWQQYTQ-BDAKNGLRSA-N 0 2 310.291 1.816 20 30 DDEDLN C=C1CC(C)(C(=O)N(C)CCNC(=O)C(F)C(F)(F)F)C1 ZINC001355658553 878663843 /nfs/dbraw/zinc/66/38/43/878663843.db2.gz WEYKPOCAGYKXBS-VIFPVBQESA-N 0 2 310.291 1.818 20 30 DDEDLN C=C1CC(C)(C(=O)N(C)CCNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001355658553 878663846 /nfs/dbraw/zinc/66/38/46/878663846.db2.gz WEYKPOCAGYKXBS-VIFPVBQESA-N 0 2 310.291 1.818 20 30 DDEDLN N#Cc1sccc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001362387787 883694997 /nfs/dbraw/zinc/69/49/97/883694997.db2.gz VCXRTHWHGJRWPC-QMMMGPOBSA-N 0 2 303.347 1.463 20 30 DDEDLN CCCSc1nc(O[C@@H]2C=CC(=O)C2)c([N+](=O)[O-])c(=O)[nH]1 ZINC001229792977 884165560 /nfs/dbraw/zinc/16/55/60/884165560.db2.gz VTKXYCAEQASUNQ-MRVPVSSYSA-N 0 2 311.319 1.869 20 30 DDEDLN Cc1[nH]c(C#N)cc1C(=O)N(C)CCc1nc(O)c(C)c(=O)[nH]1 ZINC001363659531 886908640 /nfs/dbraw/zinc/90/86/40/886908640.db2.gz JYJMUCPPAGNRDP-UHFFFAOYSA-N 0 2 315.333 1.019 20 30 DDEDLN CC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(C)c(F)c1 ZINC001363721157 887066804 /nfs/dbraw/zinc/06/68/04/887066804.db2.gz IXQZHIRMCJNQPD-CYBMUJFWSA-N 0 2 316.336 1.956 20 30 DDEDLN C[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(F)cc1F ZINC001365218184 890377153 /nfs/dbraw/zinc/37/71/53/890377153.db2.gz SXOUQOFMVLYLPN-MRVPVSSYSA-N 0 2 320.299 1.439 20 30 DDEDLN N#Cc1nc(N)c(Nc2cc(O)c(F)c(F)c2F)nc1C#N ZINC001249958847 894175263 /nfs/dbraw/zinc/17/52/63/894175263.db2.gz QIISNDVSMBGYRR-UHFFFAOYSA-N 0 2 306.207 1.669 20 30 DDEDLN C=CCCC(=O)N1CC[C@](C)(NC(=O)C(F)C(F)(F)F)C1 ZINC001299546746 898406463 /nfs/dbraw/zinc/40/64/63/898406463.db2.gz LCELVVRFRUBXQJ-JQWIXIFHSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)N1CC[C@](C)(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001299546746 898406469 /nfs/dbraw/zinc/40/64/69/898406469.db2.gz LCELVVRFRUBXQJ-JQWIXIFHSA-N 0 2 310.291 1.960 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2ccc(F)c(C#N)c2)cn1 ZINC001259412738 898656637 /nfs/dbraw/zinc/65/66/37/898656637.db2.gz QHFGHNAGYGNEIK-UHFFFAOYSA-N 0 2 303.278 1.160 20 30 DDEDLN COc1ccc(F)cc1S(=O)(=O)Nc1ccc(C#N)nc1 ZINC001260644340 899199178 /nfs/dbraw/zinc/19/91/78/899199178.db2.gz YRXARXAEUNOXHY-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)Cc2ccccc2Cl)CCC1=O ZINC001260693536 899221678 /nfs/dbraw/zinc/22/16/78/899221678.db2.gz XJXXQSYWGIIRLU-NSHDSACASA-N 0 2 312.778 1.584 20 30 DDEDLN O=C(C#CC1CC1)N1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001293563230 914552432 /nfs/dbraw/zinc/55/24/32/914552432.db2.gz AMGGZIFIZWWLGU-KOLCDFICSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(C#CC1CC1)N1CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001293563230 914552451 /nfs/dbraw/zinc/55/24/51/914552451.db2.gz AMGGZIFIZWWLGU-KOLCDFICSA-N 0 2 306.259 1.017 20 30 DDEDLN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)C(F)C(F)(F)F ZINC001372832087 908327360 /nfs/dbraw/zinc/32/73/60/908327360.db2.gz AAAGYIQYIYQTOW-IMTBSYHQSA-N 0 2 320.246 1.021 20 30 DDEDLN C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)[C@@H](F)C(F)(F)F ZINC001372832087 908327371 /nfs/dbraw/zinc/32/73/71/908327371.db2.gz AAAGYIQYIYQTOW-IMTBSYHQSA-N 0 2 320.246 1.021 20 30 DDEDLN CO[C@H]1CC[C@@H](NC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000331025486 232364954 /nfs/dbraw/zinc/36/49/54/232364954.db2.gz WEKCOSZTDMIPJX-ZJUUUORDSA-N 0 2 307.375 1.678 20 30 DDEDLN COc1ccc(/N=C2\NC(=O)[C@@H](CC(=O)NC3CC3)S2)cc1 ZINC000028892660 352232321 /nfs/dbraw/zinc/23/23/21/352232321.db2.gz QHXGPRCUAYBCCM-GFCCVEGCSA-N 0 2 319.386 1.583 20 30 DDEDLN CCOc1c(Cl)cc(C(=O)NC2=NC(=O)CN2)cc1OC ZINC000050222558 352564393 /nfs/dbraw/zinc/56/43/93/352564393.db2.gz BESSCYKQVCNYGN-UHFFFAOYSA-N 0 2 311.725 1.538 20 30 DDEDLN CC[C@@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)C(=O)OC ZINC000592871285 355725693 /nfs/dbraw/zinc/72/56/93/355725693.db2.gz PYPXAHJAYNOGPE-QMMMGPOBSA-N 0 2 323.374 1.310 20 30 DDEDLN N#CC[C@@H]1CC[C@H](NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000597716848 357299954 /nfs/dbraw/zinc/29/99/54/357299954.db2.gz WRTNMHJHLQTIAO-GWCFXTLKSA-N 0 2 312.329 1.842 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H](CO)CC2CC2)cc1C#N ZINC000598293005 357529416 /nfs/dbraw/zinc/52/94/16/357529416.db2.gz LLYMSOWIUVJFAH-SNVBAGLBSA-N 0 2 321.402 1.519 20 30 DDEDLN C=CCn1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1ccco1 ZINC000092870190 407192373 /nfs/dbraw/zinc/19/23/73/407192373.db2.gz OMLXLMGGSDRXBG-UHFFFAOYSA-N 0 2 304.335 1.428 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)cc1C ZINC000117740751 407853804 /nfs/dbraw/zinc/85/38/04/407853804.db2.gz QDIAWJNHKLVLMS-UHFFFAOYSA-N 0 2 320.374 1.915 20 30 DDEDLN CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1ccnn1C ZINC000263862748 408290213 /nfs/dbraw/zinc/29/02/13/408290213.db2.gz UDHQGOSOEPIEHX-UHFFFAOYSA-N 0 2 320.374 1.880 20 30 DDEDLN CCCCc1nnc(NS(=O)(=O)c2ccc(C#N)nc2)s1 ZINC000176588316 408400501 /nfs/dbraw/zinc/40/05/01/408400501.db2.gz KXHQFEKBXKNWMS-UHFFFAOYSA-N 0 2 323.403 1.948 20 30 DDEDLN N#C[C@@H](C(=O)c1ccc(C(N)=O)nc1)c1nc2ccccc2o1 ZINC000194413275 408781763 /nfs/dbraw/zinc/78/17/63/408781763.db2.gz GTFPLZCJHIQPBI-JTQLQIEISA-N 0 2 306.281 1.812 20 30 DDEDLN N#CC(C(=O)c1ccc(C(N)=O)nc1)c1nc2ccccc2o1 ZINC000194413275 408781766 /nfs/dbraw/zinc/78/17/66/408781766.db2.gz GTFPLZCJHIQPBI-JTQLQIEISA-N 0 2 306.281 1.812 20 30 DDEDLN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](F)C(F)(F)F)c1 ZINC000277433485 408940162 /nfs/dbraw/zinc/94/01/62/408940162.db2.gz NBLHSUNBGSVYDP-LBPRGKRZSA-N 0 2 316.254 1.965 20 30 DDEDLN C#Cc1cccc(NC(=O)CN(C)C(=O)C(F)C(F)(F)F)c1 ZINC000277433485 408940165 /nfs/dbraw/zinc/94/01/65/408940165.db2.gz NBLHSUNBGSVYDP-LBPRGKRZSA-N 0 2 316.254 1.965 20 30 DDEDLN N#Cc1cccc(-c2cc(C(=O)NN3CCCCC3=O)on2)c1 ZINC000279254569 409179625 /nfs/dbraw/zinc/17/96/25/409179625.db2.gz PWPCNFCJONBXKZ-UHFFFAOYSA-N 0 2 310.313 1.871 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCO[C@H](C)C2)cc1C#N ZINC000356866398 409673106 /nfs/dbraw/zinc/67/31/06/409673106.db2.gz ITULSRUQZUXKRO-NXEZZACHSA-N 0 2 321.402 1.926 20 30 DDEDLN COc1cc(NS(=O)(=O)c2cc(C#N)ccc2C)nn1C ZINC000314441040 409826733 /nfs/dbraw/zinc/82/67/33/409826733.db2.gz XPMVJAFTFWSJQC-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2cccnc2)cc1C#N ZINC000349808411 409911833 /nfs/dbraw/zinc/91/18/33/409911833.db2.gz RBFZMJYMVNGYNC-UHFFFAOYSA-N 0 2 300.343 1.706 20 30 DDEDLN CN(C)c1nc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc(=O)[nH]1 ZINC000328776700 409976323 /nfs/dbraw/zinc/97/63/23/409976323.db2.gz SPSJFQDAVRGDDI-VIFPVBQESA-N 0 2 302.338 1.354 20 30 DDEDLN COC(=O)CC[N@H+]1CCN(c2nccc(C#N)c2Cl)[C@H](C)C1 ZINC000342914371 409992384 /nfs/dbraw/zinc/99/23/84/409992384.db2.gz AOCKCSYJOCSDIQ-LLVKDONJSA-N 0 2 322.796 1.680 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)c1C#N ZINC000357235681 409947810 /nfs/dbraw/zinc/94/78/10/409947810.db2.gz BJERVRPMWKQCQW-SSDOTTSWSA-N 0 2 317.280 2.379 20 30 DDEDLN CC(=O)c1cccc(S(=O)(=O)Nc2cc(C#N)ccn2)c1 ZINC000352877732 410685464 /nfs/dbraw/zinc/68/54/64/410685464.db2.gz PZAICFSZXBLNQX-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN N#Cc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000377552908 418712081 /nfs/dbraw/zinc/71/20/81/418712081.db2.gz KLCLLNMJWIXDLU-KRWDZBQOSA-N 0 2 312.417 1.472 20 30 DDEDLN N#CCCC[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000424164285 228238658 /nfs/dbraw/zinc/23/86/58/228238658.db2.gz ZHBFNBUQQXUUKL-CYBMUJFWSA-N 0 2 306.435 1.244 20 30 DDEDLN CC(C)(C)c1nc(=NC(=O)C(=O)N[C@@H]2CC[C@H](C#N)C2)s[nH]1 ZINC000425810172 419343856 /nfs/dbraw/zinc/34/38/56/419343856.db2.gz XUPMKLMGDCDAEP-DTWKUNHWSA-N 0 2 321.406 1.004 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N[C@H](C#N)C(C)(C)C)c1 ZINC000424706614 228307351 /nfs/dbraw/zinc/30/73/51/228307351.db2.gz KOJZMMOXVGXOAG-LRTDBIEQSA-N 0 2 308.403 1.857 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cc(CC(C)C)n[nH]2)cc1C#N ZINC000427755032 419728777 /nfs/dbraw/zinc/72/87/77/419728777.db2.gz HHIAOQZVOZXDNN-UHFFFAOYSA-N 0 2 319.390 1.984 20 30 DDEDLN Cc1noc(CNS(=O)(=O)c2c(F)cc(C#N)cc2F)n1 ZINC000428067914 419807086 /nfs/dbraw/zinc/80/70/86/419807086.db2.gz WOTWJHBADMBEOL-UHFFFAOYSA-N 0 2 314.273 1.006 20 30 DDEDLN C=CC[C@H](CO)CNS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632182455 422146154 /nfs/dbraw/zinc/14/61/54/422146154.db2.gz JUGQCLHLMJGXBA-QMMMGPOBSA-N 0 2 320.798 1.668 20 30 DDEDLN N#Cc1nc(NC(=O)[C@H]2CCC(=O)c3ccccc32)[nH]c1C#N ZINC000351249902 268324166 /nfs/dbraw/zinc/32/41/66/268324166.db2.gz JGBPATFYIMNHPC-NSHDSACASA-N 0 2 305.297 1.852 20 30 DDEDLN CC(=O)Nc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1F ZINC000434620879 278194145 /nfs/dbraw/zinc/19/41/45/278194145.db2.gz MRJHGDFSUSGUHA-UHFFFAOYSA-N 0 2 312.264 1.503 20 30 DDEDLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(C#N)o2)n1 ZINC000288496821 334160666 /nfs/dbraw/zinc/16/06/66/334160666.db2.gz DNKGDPFSWURKAV-UHFFFAOYSA-N 0 2 304.331 1.928 20 30 DDEDLN C#CCN(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(CC=C)c2=O ZINC000191162129 340550694 /nfs/dbraw/zinc/55/06/94/340550694.db2.gz INHBXYLJPBCGNW-UHFFFAOYSA-N 0 2 313.382 1.576 20 30 DDEDLN N#CC(C(=O)c1cn(Cc2cccc(F)c2)nn1)c1ccncn1 ZINC000354467904 534741418 /nfs/dbraw/zinc/74/14/18/534741418.db2.gz OLKUBDMDYYFLQL-ZDUSSCGKSA-N 0 2 322.303 1.746 20 30 DDEDLN N#C[C@H](C(=O)c1cn(Cc2cccc(F)c2)nn1)c1ccncn1 ZINC000354467904 534741424 /nfs/dbraw/zinc/74/14/24/534741424.db2.gz OLKUBDMDYYFLQL-ZDUSSCGKSA-N 0 2 322.303 1.746 20 30 DDEDLN COc1ccc(O)c(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000229948977 524759975 /nfs/dbraw/zinc/75/99/75/524759975.db2.gz ZMIZKZLBFVSWGH-UHFFFAOYSA-N 0 2 305.315 1.468 20 30 DDEDLN C=CCC[C@H](CO)NC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000412398525 527472440 /nfs/dbraw/zinc/47/24/40/527472440.db2.gz GOVGKMJMHJUOPW-LLVKDONJSA-N 0 2 301.346 1.701 20 30 DDEDLN CC(C)c1nc2c(n1C)CCN(C(=O)N[C@@H]1CC[S@](=O)C1)C2 ZINC000330005364 528324213 /nfs/dbraw/zinc/32/42/13/528324213.db2.gz BVMLIQQLVORROI-XFNZEKPQSA-N 0 2 324.450 1.337 20 30 DDEDLN C[C@@](C#N)(NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1)C1CC1 ZINC000736201570 599786012 /nfs/dbraw/zinc/78/60/12/599786012.db2.gz IPCMTADFIHGENN-ZBFHGGJFSA-N 0 2 301.346 1.210 20 30 DDEDLN CC[N@H+](CC(=O)[O-])CC(=O)Nc1ccccc1SCC#N ZINC000829628539 600997482 /nfs/dbraw/zinc/99/74/82/600997482.db2.gz GSBRTPKEBHFMKD-UHFFFAOYSA-N 0 2 307.375 1.647 20 30 DDEDLN CC[N@@H+](CC(=O)[O-])CC(=O)Nc1ccccc1SCC#N ZINC000829628539 600997484 /nfs/dbraw/zinc/99/74/84/600997484.db2.gz GSBRTPKEBHFMKD-UHFFFAOYSA-N 0 2 307.375 1.647 20 30 DDEDLN C[C@@H](CNC(=O)[O-])[N@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000738943162 602562393 /nfs/dbraw/zinc/56/23/93/602562393.db2.gz YWMNFXJPOWDMNG-ZDUSSCGKSA-N 0 2 318.377 1.521 20 30 DDEDLN C[C@@H](CNC(=O)[O-])[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000738943162 602562395 /nfs/dbraw/zinc/56/23/95/602562395.db2.gz YWMNFXJPOWDMNG-ZDUSSCGKSA-N 0 2 318.377 1.521 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1CCCN1C(=O)[O-] ZINC000740308803 602591060 /nfs/dbraw/zinc/59/10/60/602591060.db2.gz PSGHQJDMMOEXRM-JTQLQIEISA-N 0 2 315.337 1.294 20 30 DDEDLN N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](NC(=O)[O-])C3)C2=O)cc1 ZINC000740316475 604429145 /nfs/dbraw/zinc/42/91/45/604429145.db2.gz YMPUYHFUYJWOLW-OCCSQVGLSA-N 0 2 314.345 1.005 20 30 DDEDLN N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](NC(=O)[O-])C3)C2=O)cc1 ZINC000740316475 604429146 /nfs/dbraw/zinc/42/91/46/604429146.db2.gz YMPUYHFUYJWOLW-OCCSQVGLSA-N 0 2 314.345 1.005 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC000833364143 605060416 /nfs/dbraw/zinc/06/04/16/605060416.db2.gz FIWHTAXNQQQACB-LBPRGKRZSA-N 0 2 312.329 1.297 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1nc2c(cccc2C(=O)[O-])[nH]1 ZINC000833364143 605060418 /nfs/dbraw/zinc/06/04/18/605060418.db2.gz FIWHTAXNQQQACB-LBPRGKRZSA-N 0 2 312.329 1.297 20 30 DDEDLN N#Cc1ccc(O)c(NC(=O)c2ccc(-c3nn[nH]n3)s2)c1 ZINC000822833577 606600735 /nfs/dbraw/zinc/60/07/35/606600735.db2.gz SBVBCMWYSQPEIT-UHFFFAOYSA-N 0 2 312.314 1.758 20 30 DDEDLN CCCS(=O)(=O)/N=C(\O)c1cnc2c(C)cccn2c1=O ZINC000091105440 696585288 /nfs/dbraw/zinc/58/52/88/696585288.db2.gz AXNKGIYIPSBQTL-UHFFFAOYSA-N 0 2 309.347 1.047 20 30 DDEDLN N#C[C@H](C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)c1ccccn1 ZINC000193251847 697656600 /nfs/dbraw/zinc/65/66/00/697656600.db2.gz YVSMSTCXHQDTHN-ATZCPNFKSA-N 0 2 311.263 1.715 20 30 DDEDLN CCOc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)co1 ZINC000773990427 697831429 /nfs/dbraw/zinc/83/14/29/697831429.db2.gz VGJMJSDMUVJAIG-SECBINFHSA-N 0 2 300.274 1.429 20 30 DDEDLN COC(=O)c1cc(C(=O)[C@H](C#N)C(=O)Nc2ccccc2)on1 ZINC000781447780 698620712 /nfs/dbraw/zinc/62/07/12/698620712.db2.gz HYSBYQMHXAYWLM-JTQLQIEISA-N 0 2 313.269 1.422 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCC(=O)c2cccn21 ZINC000789453169 699387172 /nfs/dbraw/zinc/38/71/72/699387172.db2.gz MWYQPIHDUYMRRK-ZYHUDNBSSA-N 0 2 310.313 1.331 20 30 DDEDLN N#Cc1ccc(NCCNC(=O)c2c(O)cc(F)cc2F)nc1 ZINC000744322095 699944834 /nfs/dbraw/zinc/94/48/34/699944834.db2.gz IOURSFNVBXKHLF-UHFFFAOYSA-N 0 2 318.283 1.779 20 30 DDEDLN COCC#CCOC(=O)c1nn(-c2ccc(F)cc2F)cc1O ZINC000801413243 700305227 /nfs/dbraw/zinc/30/52/27/700305227.db2.gz LCEVSCKMETVUDJ-UHFFFAOYSA-N 0 2 322.267 1.663 20 30 DDEDLN CCCCCCCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000755146002 700552724 /nfs/dbraw/zinc/55/27/24/700552724.db2.gz ASMIYQWBVCZOEO-UHFFFAOYSA-N 0 2 305.382 1.548 20 30 DDEDLN COC(=O)c1ccc(NN=Cc2ccc(O)c(O)c2O)nc1 ZINC000758140389 700685765 /nfs/dbraw/zinc/68/57/65/700685765.db2.gz SYVRMIQZGAMCCD-UHFFFAOYSA-N 0 2 303.274 1.431 20 30 DDEDLN CC(C)(CC/N=C\c1cc([N+](=O)[O-])ccc1O)S(C)(=O)=O ZINC000840712237 702218240 /nfs/dbraw/zinc/21/82/40/702218240.db2.gz HJJQVZQOIYDHQY-ZROIWOOFSA-N 0 2 314.363 1.933 20 30 DDEDLN O=C1NC(=O)C(=NN=C(c2ccccc2)c2ccccc2)C(=O)N1 ZINC000814212474 702496908 /nfs/dbraw/zinc/49/69/08/702496908.db2.gz CIABMPQDEBFQDY-UHFFFAOYSA-N 0 2 320.308 1.246 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1cnn2c1CCCC2 ZINC000870242556 703970964 /nfs/dbraw/zinc/97/09/64/703970964.db2.gz DWHRLMSGOIBBIK-GFCCVEGCSA-N 0 2 311.345 1.087 20 30 DDEDLN CC[C@H](C#N)N(C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000875814000 705522190 /nfs/dbraw/zinc/52/21/90/705522190.db2.gz GTEBCEKVNRHNAM-MRVPVSSYSA-N 0 2 317.267 1.832 20 30 DDEDLN C#Cc1cccc(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000878116918 706298650 /nfs/dbraw/zinc/29/86/50/706298650.db2.gz SFZFJBRPMZLUJS-GFCCVEGCSA-N 0 2 311.345 1.903 20 30 DDEDLN C=CCC[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C(=O)[O-] ZINC000909042043 712924645 /nfs/dbraw/zinc/92/46/45/712924645.db2.gz XLPHGZWPBZNKSD-GFCCVEGCSA-N 0 2 302.334 1.553 20 30 DDEDLN CCc1nn(C)cc1S(=O)(=O)Nc1cc(C#N)ccc1NC ZINC000882721934 707761536 /nfs/dbraw/zinc/76/15/36/707761536.db2.gz XYDUNGPMFGBDIC-UHFFFAOYSA-N 0 2 319.390 1.697 20 30 DDEDLN C#CC(=O)NCC[C@H]1C(=O)N(Cc2ccccc2C)N=C1CC ZINC000898727557 708842049 /nfs/dbraw/zinc/84/20/49/708842049.db2.gz YZDIEDUOJVNANF-OAHLLOKOSA-N 0 2 311.385 1.859 20 30 DDEDLN C=CCCC[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(=O)[O-] ZINC000910916985 710118515 /nfs/dbraw/zinc/11/85/15/710118515.db2.gz KVHBLZQYHBCKJK-CYBMUJFWSA-N 0 2 314.345 1.807 20 30 DDEDLN C=CCNc1ncc(C(=O)NCCc2n[nH]c(=S)o2)s1 ZINC000907460583 712577767 /nfs/dbraw/zinc/57/77/67/712577767.db2.gz BPTUGANLZUMUBH-UHFFFAOYSA-N 0 2 311.392 1.385 20 30 DDEDLN C=C1CC(C)(C(=O)N(C)C2CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000955260696 715707733 /nfs/dbraw/zinc/70/77/33/715707733.db2.gz QNVIHTCFIPDAGG-SNVBAGLBSA-N 0 2 322.302 1.912 20 30 DDEDLN C=C1CC(C)(C(=O)N(C)C2CN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC000955260696 715707740 /nfs/dbraw/zinc/70/77/40/715707740.db2.gz QNVIHTCFIPDAGG-SNVBAGLBSA-N 0 2 322.302 1.912 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000942364469 717639197 /nfs/dbraw/zinc/63/91/97/717639197.db2.gz FRGZGZHQBZLFSZ-ZJUUUORDSA-N 0 2 322.302 1.960 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC000942364469 717639201 /nfs/dbraw/zinc/63/92/01/717639201.db2.gz FRGZGZHQBZLFSZ-ZJUUUORDSA-N 0 2 322.302 1.960 20 30 DDEDLN N#CCN1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)CC[C@@H]2C1 ZINC000946597690 718847737 /nfs/dbraw/zinc/84/77/37/718847737.db2.gz GJTIWZCBAGWVBO-AXFHLTTASA-N 0 2 307.291 1.581 20 30 DDEDLN C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001027897426 738785390 /nfs/dbraw/zinc/78/53/90/738785390.db2.gz NGMSMMCUFBWEOU-CJNGLKHVSA-N 0 2 317.437 1.557 20 30 DDEDLN C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027979758 738901276 /nfs/dbraw/zinc/90/12/76/738901276.db2.gz ABXOOSRZXWZUSU-CABCVRRESA-N 0 2 302.422 1.602 20 30 DDEDLN N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ncn[nH]2)cc1 ZINC001028211769 739165664 /nfs/dbraw/zinc/16/56/64/739165664.db2.gz VTFNTZBYKVNABD-CQSZACIVSA-N 0 2 310.361 1.071 20 30 DDEDLN CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1CC ZINC001087630256 740683509 /nfs/dbraw/zinc/68/35/09/740683509.db2.gz AQRUDILJJZNJJJ-OWCLPIDISA-N 0 2 314.433 1.438 20 30 DDEDLN CC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1nc2ccccc2[nH]1 ZINC001185222789 744183012 /nfs/dbraw/zinc/18/30/12/744183012.db2.gz UCIZFLAYRVGADX-SNVBAGLBSA-N 0 2 324.344 1.385 20 30 DDEDLN C[C@H](C#N)S(=O)(=O)Nc1cnc(-c2ccc(O)cc2)nc1 ZINC001193107612 745981078 /nfs/dbraw/zinc/98/10/78/745981078.db2.gz YPPZLTZRRISAPU-SECBINFHSA-N 0 2 304.331 1.503 20 30 DDEDLN CCS(=O)(=O)c1ccc(NS(=O)(=O)[C@H](C)C#N)cc1 ZINC001193140242 745994522 /nfs/dbraw/zinc/99/45/22/745994522.db2.gz WAAQBQVKFHLAOD-SECBINFHSA-N 0 2 302.377 1.134 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)c2cccc3nccnc32)ccn1 ZINC001194943573 746492603 /nfs/dbraw/zinc/49/26/03/746492603.db2.gz XKQBUCPIOPEUES-UHFFFAOYSA-N 0 2 311.326 1.119 20 30 DDEDLN COC(=O)CCCS(=O)(=O)Nc1c(F)ccc(F)c1C#N ZINC001201916094 748640635 /nfs/dbraw/zinc/64/06/35/748640635.db2.gz LJPJMUNVXKPQIC-UHFFFAOYSA-N 0 2 318.301 1.531 20 30 DDEDLN C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)c2[nH]ncc2F)CC1 ZINC001060811672 750650180 /nfs/dbraw/zinc/65/01/80/750650180.db2.gz CSZGPEHNGIYIIS-DCAQKATOSA-N 0 2 321.356 1.113 20 30 DDEDLN C[C@H](CNc1ccc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001108170575 753341274 /nfs/dbraw/zinc/34/12/74/753341274.db2.gz JMHNZAQNKMTQFN-GMSGAONNSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@H](CNc1ccc(C#N)cn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001108170575 753341279 /nfs/dbraw/zinc/34/12/79/753341279.db2.gz JMHNZAQNKMTQFN-GMSGAONNSA-N 0 2 304.247 1.770 20 30 DDEDLN Cc1cc(NC[C@@H](C)NC(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001108170477 753342314 /nfs/dbraw/zinc/34/23/14/753342314.db2.gz FJDDIIKCASALKE-KCJUWKMLSA-N 0 2 318.274 1.501 20 30 DDEDLN Cc1cc(NC[C@@H](C)NC(=O)[C@H](F)C(F)(F)F)c(C#N)cn1 ZINC001108170477 753342320 /nfs/dbraw/zinc/34/23/20/753342320.db2.gz FJDDIIKCASALKE-KCJUWKMLSA-N 0 2 318.274 1.501 20 30 DDEDLN N#CCN1CCC[C@@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001040216847 762442928 /nfs/dbraw/zinc/44/29/28/762442928.db2.gz QGEMUGCJNMFBJR-ZYHUDNBSSA-N 0 2 307.291 1.725 20 30 DDEDLN N#CCN1CCC[C@@]2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001040216847 762442934 /nfs/dbraw/zinc/44/29/34/762442934.db2.gz QGEMUGCJNMFBJR-ZYHUDNBSSA-N 0 2 307.291 1.725 20 30 DDEDLN C=CCCN1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC001113355829 765603780 /nfs/dbraw/zinc/60/37/80/765603780.db2.gz RIMPGTRIVZNWIK-UHFFFAOYSA-N 0 2 315.461 1.881 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccc(C#N)nn1 ZINC001113935206 766426838 /nfs/dbraw/zinc/42/68/38/766426838.db2.gz VUWGUWMCYMPYTD-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1ccc(C#N)nn1 ZINC001113935206 766426846 /nfs/dbraw/zinc/42/68/46/766426846.db2.gz VUWGUWMCYMPYTD-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN C=CCOCCCC(=O)N(C)CCC1=NC(=O)C(C)C(=O)N1 ZINC001178894597 779212314 /nfs/dbraw/zinc/21/23/14/779212314.db2.gz VQFFDKJBKBVUEY-UHFFFAOYSA-N 0 2 309.366 1.180 20 30 DDEDLN O=C(CC(F)(F)F)NCC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001409127856 844384122 /nfs/dbraw/zinc/38/41/22/844384122.db2.gz UOQKMEBBRAMHCB-SSDOTTSWSA-N 0 2 324.196 1.414 20 30 DDEDLN O=C(CC(F)(F)F)NCC1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001409127856 844384134 /nfs/dbraw/zinc/38/41/34/844384134.db2.gz UOQKMEBBRAMHCB-SSDOTTSWSA-N 0 2 324.196 1.414 20 30 DDEDLN Cc1c(C(=O)N[C@H](C)c2nn(C)cc2O)cnn1CCC#N ZINC001413770700 858510063 /nfs/dbraw/zinc/51/00/63/858510063.db2.gz ZKYLVLDYVLEXOI-SECBINFHSA-N 0 2 302.338 1.035 20 30 DDEDLN CCN(CC#N)CC1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001328575657 863079159 /nfs/dbraw/zinc/07/91/59/863079159.db2.gz XVDRLCZBGOQXQH-NSHDSACASA-N 0 2 309.307 1.971 20 30 DDEDLN CCN(CC#N)CC1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001328575657 863079174 /nfs/dbraw/zinc/07/91/74/863079174.db2.gz XVDRLCZBGOQXQH-NSHDSACASA-N 0 2 309.307 1.971 20 30 DDEDLN CCn1ccnc1[C@H](C#N)C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001349703031 875314109 /nfs/dbraw/zinc/31/41/09/875314109.db2.gz UWTKQNQLEQTRNO-DYVFJYSZSA-N 0 2 314.389 1.776 20 30 DDEDLN CNS(=O)(=O)c1ccccc1NC1=C(C#N)C(=O)CS1 ZINC001216532024 876966898 /nfs/dbraw/zinc/96/68/98/876966898.db2.gz JLZOMSBIPCSKOD-UHFFFAOYSA-N 0 2 309.372 1.977 20 30 DDEDLN O=C(C#CC1CC1)NC[C@@H](NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001353104831 877122843 /nfs/dbraw/zinc/12/28/43/877122843.db2.gz WJYPMNXJFPIAON-ZYHUDNBSSA-N 0 2 320.286 1.311 20 30 DDEDLN O=C(C#CC1CC1)NC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001353104831 877122855 /nfs/dbraw/zinc/12/28/55/877122855.db2.gz WJYPMNXJFPIAON-ZYHUDNBSSA-N 0 2 320.286 1.311 20 30 DDEDLN C=CC(C)(C)C(=O)N(C)C1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001358743688 880843628 /nfs/dbraw/zinc/84/36/28/880843628.db2.gz MIKMAALWAFZPEI-SECBINFHSA-N 0 2 310.291 1.768 20 30 DDEDLN C=CC(C)(C)C(=O)N(C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001358743688 880843611 /nfs/dbraw/zinc/84/36/11/880843611.db2.gz MIKMAALWAFZPEI-SECBINFHSA-N 0 2 310.291 1.768 20 30 DDEDLN CN(Cc1ccc(Cl)c(F)c1)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001364555104 888914485 /nfs/dbraw/zinc/91/44/85/888914485.db2.gz ALMJELHEGYQALK-UHFFFAOYSA-N 0 2 322.727 1.374 20 30 DDEDLN N#Cc1ccc(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC001365475631 890867219 /nfs/dbraw/zinc/86/72/19/890867219.db2.gz SAHIDDPMMXEZNA-LLVKDONJSA-N 0 2 312.333 1.793 20 30 DDEDLN C[C@@H](C(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1)C(F)(F)F ZINC001374664671 913512665 /nfs/dbraw/zinc/51/26/65/913512665.db2.gz FWSRMOULZDIEGI-NJGYIYPDSA-N 0 2 324.196 1.412 20 30 DDEDLN C[C@@H](C(=O)N1CC(NC(=O)[C@H](F)C(F)(F)F)C1)C(F)(F)F ZINC001374664671 913512682 /nfs/dbraw/zinc/51/26/82/913512682.db2.gz FWSRMOULZDIEGI-NJGYIYPDSA-N 0 2 324.196 1.412 20 30 DDEDLN CC(C)C#CC(=O)N[C@@H]1[C@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]21 ZINC001295340232 915726111 /nfs/dbraw/zinc/72/61/11/915726111.db2.gz SCJMUENRTWXGQL-SPFNVWMYSA-N 0 2 320.286 1.119 20 30 DDEDLN CC(C)C#CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]21 ZINC001295340232 915726127 /nfs/dbraw/zinc/72/61/27/915726127.db2.gz SCJMUENRTWXGQL-SPFNVWMYSA-N 0 2 320.286 1.119 20 30 DDEDLN C=CC(C)(C)C(=O)NCC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001297248001 916833958 /nfs/dbraw/zinc/83/39/58/916833958.db2.gz TXBKQAYQRQDYGG-SECBINFHSA-N 0 2 310.291 1.674 20 30 DDEDLN C=CC(C)(C)C(=O)NCC1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001297248001 916833965 /nfs/dbraw/zinc/83/39/65/916833965.db2.gz TXBKQAYQRQDYGG-SECBINFHSA-N 0 2 310.291 1.674 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@]2(C)CCO[C@H]2C)cc1C#N ZINC000334039978 295688934 /nfs/dbraw/zinc/68/89/34/295688934.db2.gz UUWSSTBIWLCKPM-RTHLEPHNSA-N 0 2 307.375 1.678 20 30 DDEDLN C/N=C1\NC(=O)C(CC(=O)Nc2cccc([N+](=O)[O-])c2)S1 ZINC000021883913 352174695 /nfs/dbraw/zinc/17/46/95/352174695.db2.gz ZEHDLAGHJRQVNO-VIFPVBQESA-N 0 2 308.319 1.141 20 30 DDEDLN C/N=C1\NC(=O)[C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S1 ZINC000021883913 352174704 /nfs/dbraw/zinc/17/47/04/352174704.db2.gz ZEHDLAGHJRQVNO-VIFPVBQESA-N 0 2 308.319 1.141 20 30 DDEDLN N#C[C@]1(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)CC12CCCC2 ZINC000579009654 354715180 /nfs/dbraw/zinc/71/51/80/354715180.db2.gz DSVGYGRQVDRYHT-BZNIZROVSA-N 0 2 315.377 1.690 20 30 DDEDLN N#Cc1cccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)n1 ZINC000589464729 354993458 /nfs/dbraw/zinc/99/34/58/354993458.db2.gz FGMCJHPZUMFVNX-UHFFFAOYSA-N 0 2 308.326 1.541 20 30 DDEDLN CC(C)c1ccccc1NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O ZINC000592354723 355566126 /nfs/dbraw/zinc/56/61/26/355566126.db2.gz XZVPGESXKCUMJB-UHFFFAOYSA-N 0 2 312.329 1.170 20 30 DDEDLN N#Cc1ccc(O[C@@H]2CCN(c3cc[nH+]c(C(=O)[O-])c3)C2)nc1 ZINC000593329176 355855388 /nfs/dbraw/zinc/85/53/88/355855388.db2.gz YNRCIIXRUSPHFU-CYBMUJFWSA-N 0 2 310.313 1.704 20 30 DDEDLN N#C[C@@]1(NC(=O)c2cccc(-c3nc(=O)o[nH]3)c2)CCSC1 ZINC000597030055 357044946 /nfs/dbraw/zinc/04/49/46/357044946.db2.gz IELYSMATGCLXTG-AWEZNQCLSA-N 0 2 316.342 1.159 20 30 DDEDLN Cn1ncc2c1[nH]cc(C(=O)NCC#Cc1cccc(F)c1)c2=O ZINC000338238154 223257009 /nfs/dbraw/zinc/25/70/09/223257009.db2.gz BDVQSAPZSQVCMO-UHFFFAOYSA-N 0 2 324.315 1.595 20 30 DDEDLN N#CC1(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)CCCCC1 ZINC000619566534 364063298 /nfs/dbraw/zinc/06/32/98/364063298.db2.gz JROAAVMMQSWUND-UHFFFAOYSA-N 0 2 303.366 1.690 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCC[C@H](C)CO)cc1C#N ZINC000340731113 251181155 /nfs/dbraw/zinc/18/11/55/251181155.db2.gz AMAUCCHLXROPKS-VIFPVBQESA-N 0 2 309.391 1.519 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](CO)C(C)(C)C)cc1C#N ZINC000444757063 533078737 /nfs/dbraw/zinc/07/87/37/533078737.db2.gz SXEFARWGMGXQSX-JTQLQIEISA-N 0 2 309.391 1.518 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[n-]c1C#N ZINC000026266996 406902976 /nfs/dbraw/zinc/90/29/76/406902976.db2.gz QOACZUBCPOADBB-UHFFFAOYSA-N 0 2 303.285 1.591 20 30 DDEDLN Cc1nn(C)c(C)c1S(=O)(=O)NC(=O)CC[C@@H]1CCCO1 ZINC000048535420 407099174 /nfs/dbraw/zinc/09/91/74/407099174.db2.gz UQUJCGQURRLWSE-NSHDSACASA-N 0 2 315.395 1.641 20 30 DDEDLN N#C[C@@H]1COCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000084405598 407088338 /nfs/dbraw/zinc/08/83/38/407088338.db2.gz ASIMGNLGCKTJPB-GFCCVEGCSA-N 0 2 316.292 1.082 20 30 DDEDLN C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000066914544 407262990 /nfs/dbraw/zinc/26/29/90/407262990.db2.gz SRRTWBZRGYEFHZ-ZJUUUORDSA-N 0 2 303.322 1.066 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1[nH]nc(C)c1C ZINC000185629650 407467376 /nfs/dbraw/zinc/46/73/76/407467376.db2.gz TUYFLTKNIWUYQD-UHFFFAOYSA-N 0 2 306.347 1.708 20 30 DDEDLN C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000181277891 407975633 /nfs/dbraw/zinc/97/56/33/407975633.db2.gz SWVVTNWAYJWUBY-UHFFFAOYSA-N 0 2 317.433 1.965 20 30 DDEDLN Cc1[nH]ncc1CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000168647483 162180809 /nfs/dbraw/zinc/18/08/09/162180809.db2.gz CTKMGMWXMPBQGS-UHFFFAOYSA-N 0 2 310.766 1.722 20 30 DDEDLN C=CCNC(=O)c1ccccc1NS(=O)(=O)N1CCC[C@@H]1C ZINC000185173029 408774522 /nfs/dbraw/zinc/77/45/22/408774522.db2.gz CRHOGVGNIGGWMD-LBPRGKRZSA-N 0 2 323.418 1.743 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(C#N)cn1 ZINC000185615506 162939518 /nfs/dbraw/zinc/93/95/18/162939518.db2.gz FGFURZMPTRJGNZ-UHFFFAOYSA-N 0 2 314.326 1.634 20 30 DDEDLN N#Cc1ccsc1N1CC[C@@H](Sc2n[nH]c(=O)[nH]2)C1=O ZINC000187638383 163024687 /nfs/dbraw/zinc/02/46/87/163024687.db2.gz GZTIKSXVVSGLKF-SSDOTTSWSA-N 0 2 307.360 1.341 20 30 DDEDLN C[C@@H]1CC[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C[C@H]1C ZINC000408493582 164349345 /nfs/dbraw/zinc/34/93/45/164349345.db2.gz MCCUIEMGNATCGQ-WZRBSPASSA-N 0 2 321.402 1.830 20 30 DDEDLN CC1=C(C)C[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000408496117 164349753 /nfs/dbraw/zinc/34/97/53/164349753.db2.gz GHKUZEXECGAWTO-ZDUSSCGKSA-N 0 2 319.386 1.895 20 30 DDEDLN N#Cc1ccc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)[nH]1 ZINC000354103977 409659211 /nfs/dbraw/zinc/65/92/11/409659211.db2.gz KIBNNNLALXAQSC-UHFFFAOYSA-N 0 2 322.328 1.513 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@@H]2CCN(c3ccccc3)[C@@H]2C)c1C#N ZINC000357243987 409953676 /nfs/dbraw/zinc/95/36/76/409953676.db2.gz OCDMEWNOXFBZLE-TZMCWYRMSA-N 0 2 309.373 2.443 20 30 DDEDLN CC(=O)Nc1cc(C(=O)N=c2[nH][nH]c(C)c2C#N)ccc1F ZINC000357267367 409953947 /nfs/dbraw/zinc/95/39/47/409953947.db2.gz ZVYWFWHKVUXCKY-UHFFFAOYSA-N 0 2 301.281 1.940 20 30 DDEDLN CO[C@H]1CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CC[C@H]1C ZINC000346855385 410199779 /nfs/dbraw/zinc/19/97/79/410199779.db2.gz ZUXPKJRWXACKRT-SKDRFNHKSA-N 0 2 321.402 1.878 20 30 DDEDLN C=CC[NH+](CC=C)[C@@H](CNC(=O)NCCn1cc[nH+]c1)C(C)C ZINC000298681790 410343549 /nfs/dbraw/zinc/34/35/49/410343549.db2.gz ZHZQGVFOKYOXNL-INIZCTEOSA-N 0 2 319.453 1.881 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1cncc(F)c1 ZINC000337316440 410712304 /nfs/dbraw/zinc/71/23/04/410712304.db2.gz YJWNMVDZRAYQHI-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000184518190 221939431 /nfs/dbraw/zinc/93/94/31/221939431.db2.gz OQMJIMVSHIBTKC-SSDOTTSWSA-N 0 2 304.397 1.450 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)nc1 ZINC000427780397 419733459 /nfs/dbraw/zinc/73/34/59/419733459.db2.gz NNCPRTPZRDJWJN-UHFFFAOYSA-N 0 2 302.290 1.765 20 30 DDEDLN COCc1ccc(NS(=O)(=O)c2cnn(C)c2C)cc1C#N ZINC000530145791 421583544 /nfs/dbraw/zinc/58/35/44/421583544.db2.gz OSCVHMPFEPWYPT-UHFFFAOYSA-N 0 2 320.374 1.547 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2cncc(C#N)c2)n(CCC#N)n1 ZINC000567975545 421616932 /nfs/dbraw/zinc/61/69/32/421616932.db2.gz WLUOFPHOSIHCRV-UHFFFAOYSA-N 0 2 316.346 1.173 20 30 DDEDLN CCCNC(=O)CCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000342209117 266057604 /nfs/dbraw/zinc/05/76/04/266057604.db2.gz VXMHHLUOVOTMOD-UHFFFAOYSA-N 0 2 322.390 1.027 20 30 DDEDLN C=CC[C@@H]1N(C(=O)CSc2n[nH]c(=O)[nH]2)CCCC1(C)C ZINC000278109229 277882688 /nfs/dbraw/zinc/88/26/88/277882688.db2.gz KVMLNXCZHNMWMM-JTQLQIEISA-N 0 2 310.423 1.783 20 30 DDEDLN N#C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2O)CCN1C1CC1 ZINC000370688486 303161783 /nfs/dbraw/zinc/16/17/83/303161783.db2.gz GMHSYQAQIFJLFH-LLVKDONJSA-N 0 2 323.755 1.997 20 30 DDEDLN N#Cc1cccc(N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1[N+](=O)[O-] ZINC000450494336 303204142 /nfs/dbraw/zinc/20/41/42/303204142.db2.gz KYSDFUPGTRWRCL-UHFFFAOYSA-N 0 2 314.305 1.674 20 30 DDEDLN N#Cc1nc(NC(=O)[C@H]2C[C@@]23CCc2ccccc23)[nH]c1C#N ZINC000266541401 303216666 /nfs/dbraw/zinc/21/66/66/303216666.db2.gz LHVCOTZBQVHQII-SJKOYZFVSA-N 0 2 303.325 1.996 20 30 DDEDLN CN(C)c1ccc(S(=O)(=O)Nc2cc(CC#N)ccn2)cn1 ZINC000571459282 333792568 /nfs/dbraw/zinc/79/25/68/333792568.db2.gz VOPKXHAHIKCNFX-UHFFFAOYSA-N 0 2 317.374 1.409 20 30 DDEDLN CN(Cc1nc(=O)c2sccc2[nH]1)C[C@@H](C#N)CCC#N ZINC000131548822 341096216 /nfs/dbraw/zinc/09/62/16/341096216.db2.gz AGCGNUTXHKNBAX-SNVBAGLBSA-N 0 2 301.375 1.860 20 30 DDEDLN C=C(C)[C@H](NC(=O)c1n[nH]c(=O)[nH]c1=O)c1ccc(F)c(F)c1 ZINC000681358884 486412925 /nfs/dbraw/zinc/41/29/25/486412925.db2.gz QBRRLMRBRRTHIE-JTQLQIEISA-N 0 2 322.271 1.608 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N(C[C@H](C)C#N)C2CC2)c1 ZINC000424773726 533807290 /nfs/dbraw/zinc/80/72/90/533807290.db2.gz QGANZZNPWPMFJA-IPQOISQHSA-N 0 2 320.414 1.953 20 30 DDEDLN N#Cc1cccc(-c2nnc(CSc3n[nH]c(=O)[nH]3)o2)c1 ZINC000446069830 534801796 /nfs/dbraw/zinc/80/17/96/534801796.db2.gz WUVGMPOPAKBJIW-UHFFFAOYSA-N 0 2 300.303 1.724 20 30 DDEDLN C=CC[C@H](CO)CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000342416678 527185180 /nfs/dbraw/zinc/18/51/80/527185180.db2.gz UOCHSPWALWIZDA-NSHDSACASA-N 0 2 319.336 1.631 20 30 DDEDLN CCN(C[C@H](C)C#N)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000331250931 528686870 /nfs/dbraw/zinc/68/68/70/528686870.db2.gz XBBHSKABPCFQQH-SECBINFHSA-N 0 2 323.422 1.204 20 30 DDEDLN COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000737582337 600567310 /nfs/dbraw/zinc/56/73/10/600567310.db2.gz YZCVQRBGEMJPIA-ZIAGYGMSSA-N 0 2 302.330 1.569 20 30 DDEDLN COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000737582337 600567311 /nfs/dbraw/zinc/56/73/11/600567311.db2.gz YZCVQRBGEMJPIA-ZIAGYGMSSA-N 0 2 302.330 1.569 20 30 DDEDLN CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738766688 601977898 /nfs/dbraw/zinc/97/78/98/601977898.db2.gz ROWVKSJIWPWPKH-SWLSCSKDSA-N 0 2 310.398 1.115 20 30 DDEDLN CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738766688 601977900 /nfs/dbraw/zinc/97/79/00/601977900.db2.gz ROWVKSJIWPWPKH-SWLSCSKDSA-N 0 2 310.398 1.115 20 30 DDEDLN Cn1ccnc1C(=O)C(C#N)=C(O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000123052658 696728028 /nfs/dbraw/zinc/72/80/28/696728028.db2.gz VJOMPYXIHGHURL-OLZOCXBDSA-N 0 2 323.308 1.093 20 30 DDEDLN Cn1ccnc1C(=O)[C@H](C#N)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000123052658 696728032 /nfs/dbraw/zinc/72/80/32/696728032.db2.gz VJOMPYXIHGHURL-OLZOCXBDSA-N 0 2 323.308 1.093 20 30 DDEDLN CCOc1ccc(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000122989626 696727176 /nfs/dbraw/zinc/72/71/76/696727176.db2.gz XRXSTMRIFSVMJH-CQSZACIVSA-N 0 2 311.341 1.953 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000981887742 696956548 /nfs/dbraw/zinc/95/65/48/696956548.db2.gz OGQDXMLMXFPQNR-HNNXBMFYSA-N 0 2 307.398 1.147 20 30 DDEDLN C#C[C@H](C)OC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000174452381 697389145 /nfs/dbraw/zinc/38/91/45/697389145.db2.gz LKEBIRGHBAQPFZ-VIFPVBQESA-N 0 2 302.355 1.884 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CN1CCCCCCC1=O ZINC000178475565 697425229 /nfs/dbraw/zinc/42/52/29/697425229.db2.gz KBKJSBWINDCMQT-GFCCVEGCSA-N 0 2 316.361 1.104 20 30 DDEDLN C#CCC(C)(C)C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000185120016 697514102 /nfs/dbraw/zinc/51/41/02/697514102.db2.gz ORTGMUAPVPDZLM-UHFFFAOYSA-N 0 2 303.387 1.993 20 30 DDEDLN N#CC(C(=O)NCc1ccccc1)=C([O-])c1cn2ccccc2[nH+]1 ZINC000729070810 699466057 /nfs/dbraw/zinc/46/60/57/699466057.db2.gz YRUMVUJTHWRKMK-AWEZNQCLSA-N 0 2 318.336 1.973 20 30 DDEDLN C#CCC[NH+]1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000795919095 699901405 /nfs/dbraw/zinc/90/14/05/699901405.db2.gz UPSXMCSAKUWALR-UHFFFAOYSA-N 0 2 303.318 1.082 20 30 DDEDLN C#CC[C@H](Cc1ccccc1)NC(=O)C[C@H]1SC(=N)NC1=O ZINC000804457232 701191327 /nfs/dbraw/zinc/19/13/27/701191327.db2.gz QPKNCYRXJRRHMZ-CHWSQXEVSA-N 0 2 315.398 1.294 20 30 DDEDLN NS(=O)(=O)c1cc(CN=Nc2cccc(F)n2)ccc1F ZINC000807986968 701493232 /nfs/dbraw/zinc/49/32/32/701493232.db2.gz BIPHNPXTOOAUKQ-UHFFFAOYSA-N 0 2 312.301 1.453 20 30 DDEDLN CCCCCNC(=O)C(C#N)=C([O-])c1[nH+]cc2n1CCCC2 ZINC000870134366 703923926 /nfs/dbraw/zinc/92/39/26/703923926.db2.gz KPDBRXDRRLFGMZ-CYBMUJFWSA-N 0 2 302.378 1.848 20 30 DDEDLN CCO[C@@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C1CCOCC1 ZINC000870244219 703971398 /nfs/dbraw/zinc/97/13/98/703971398.db2.gz VXEZOJBLJWTRLL-SWLSCSKDSA-N 0 2 319.361 1.143 20 30 DDEDLN N#CC(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccc2ccccc2n1 ZINC000860451594 705192214 /nfs/dbraw/zinc/19/22/14/705192214.db2.gz GWVRQPISDGHUKS-DFBGVHRSSA-N 0 2 309.325 1.444 20 30 DDEDLN N#C[C@@H](C(=O)[C@H]1CC[C@@H](C(N)=O)O1)c1ccc2ccccc2n1 ZINC000860451594 705192217 /nfs/dbraw/zinc/19/22/17/705192217.db2.gz GWVRQPISDGHUKS-DFBGVHRSSA-N 0 2 309.325 1.444 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1NS(=O)(=O)N=[S@](C)(=O)C(C)(C)C ZINC000872495507 707445876 /nfs/dbraw/zinc/44/58/76/707445876.db2.gz NACFNFXVNVUJRT-AUSHCKSDSA-N 0 2 310.441 1.061 20 30 DDEDLN C#CCOc1cccc(NS(=O)(=O)c2cn(C)nc2CC)c1 ZINC000882694588 707750586 /nfs/dbraw/zinc/75/05/86/707750586.db2.gz BTENGGCCXSHDQJ-UHFFFAOYSA-N 0 2 319.386 1.795 20 30 DDEDLN C[C@@H](CC#N)n1[nH]c2c(c1=O)CCN(C(=O)OC(C)(C)C)C2 ZINC000887287430 709007714 /nfs/dbraw/zinc/00/77/14/709007714.db2.gz ZFFNVIFZHBFATF-WDEREUQCSA-N 0 2 306.366 1.744 20 30 DDEDLN O=C(CC(F)(F)F)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001010596984 732708255 /nfs/dbraw/zinc/70/82/55/732708255.db2.gz INBOLMGRIOYXCM-ZETCQYMHSA-N 0 2 324.196 1.510 20 30 DDEDLN O=C(CC(F)(F)F)N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001010596984 732708259 /nfs/dbraw/zinc/70/82/59/732708259.db2.gz INBOLMGRIOYXCM-ZETCQYMHSA-N 0 2 324.196 1.510 20 30 DDEDLN N#Cc1cnccc1N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001059097695 739933163 /nfs/dbraw/zinc/93/31/63/739933163.db2.gz MKHNYBZJNZPCPL-GXSJLCMTSA-N 0 2 316.258 1.288 20 30 DDEDLN N#Cc1cnccc1N[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001059097695 739933167 /nfs/dbraw/zinc/93/31/67/739933167.db2.gz MKHNYBZJNZPCPL-GXSJLCMTSA-N 0 2 316.258 1.288 20 30 DDEDLN N#Cc1cnc(N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cn1 ZINC001059097764 739933636 /nfs/dbraw/zinc/93/36/36/739933636.db2.gz OUMVBLJWXWLOBR-XVKPBYJWSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1cnc(N[C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)cn1 ZINC001059097764 739933639 /nfs/dbraw/zinc/93/36/39/739933639.db2.gz OUMVBLJWXWLOBR-XVKPBYJWSA-N 0 2 317.246 1.261 20 30 DDEDLN CCCC#CC(=O)N1CCc2c(C[N@H+](C)C(C)C)n[nH]c2C1 ZINC001184267718 744006482 /nfs/dbraw/zinc/00/64/82/744006482.db2.gz MIZHKFOQUPFOKI-UHFFFAOYSA-N 0 2 302.422 1.938 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1cc2ccccc2s1 ZINC001185475806 744232407 /nfs/dbraw/zinc/23/24/07/744232407.db2.gz AHMVZZSNBALXKC-SNVBAGLBSA-N 0 2 324.383 1.635 20 30 DDEDLN C[C@@H](C#N)S(=O)(=O)Nc1cnc2cc(C(F)(F)F)nn2c1 ZINC001193106663 745980398 /nfs/dbraw/zinc/98/03/98/745980398.db2.gz IOOFHRSSUASERW-LURJTMIESA-N 0 2 319.268 1.402 20 30 DDEDLN N#CNC(=NC(=O)c1cc(Br)n[nH]1)c1ccncc1 ZINC001193297214 746053081 /nfs/dbraw/zinc/05/30/81/746053081.db2.gz PTTOODSRLOVFEO-UHFFFAOYSA-N 0 2 319.122 1.225 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2ccc(N3CCOCC3)nc2)c1O ZINC001193634702 746156469 /nfs/dbraw/zinc/15/64/69/746156469.db2.gz HFVVLFHUVSKUJM-UHFFFAOYSA-N 0 2 324.340 1.748 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)c(O)c1 ZINC001195759201 746688677 /nfs/dbraw/zinc/68/86/77/746688677.db2.gz ZCHSDBDDFITNGS-UHFFFAOYSA-N 0 2 322.280 1.871 20 30 DDEDLN N#Cc1cncc(NC/C=C/CNC(=O)C(F)C(F)(F)F)n1 ZINC001107561604 750139584 /nfs/dbraw/zinc/13/95/84/750139584.db2.gz NSIBRDXSDYDUPI-TXXBHVLJSA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1cncc(NC/C=C/CNC(=O)[C@@H](F)C(F)(F)F)n1 ZINC001107561604 750139586 /nfs/dbraw/zinc/13/95/86/750139586.db2.gz NSIBRDXSDYDUPI-TXXBHVLJSA-N 0 2 317.246 1.333 20 30 DDEDLN CCN(C(=O)C(F)C(F)(F)F)C1CN(C(=O)C#CC2CC2)C1 ZINC001079901442 755624925 /nfs/dbraw/zinc/62/49/25/755624925.db2.gz OGOSRHQSHYOYBZ-LBPRGKRZSA-N 0 2 320.286 1.360 20 30 DDEDLN CCN(C(=O)[C@H](F)C(F)(F)F)C1CN(C(=O)C#CC2CC2)C1 ZINC001079901442 755624927 /nfs/dbraw/zinc/62/49/27/755624927.db2.gz OGOSRHQSHYOYBZ-LBPRGKRZSA-N 0 2 320.286 1.360 20 30 DDEDLN CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1[nH]nc(C)c1[O-] ZINC001049423786 770812033 /nfs/dbraw/zinc/81/20/33/770812033.db2.gz WGOKAUPXXCWMQI-CHWSQXEVSA-N 0 2 302.378 1.126 20 30 DDEDLN CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1[nH]nc(C)c1[O-] ZINC001049423786 770812046 /nfs/dbraw/zinc/81/20/46/770812046.db2.gz WGOKAUPXXCWMQI-CHWSQXEVSA-N 0 2 302.378 1.126 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460711 838464907 /nfs/dbraw/zinc/46/49/07/838464907.db2.gz LJQRDOXERBTPHC-KBPBESRZSA-N 0 2 318.421 1.200 20 30 DDEDLN C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001269269192 841447001 /nfs/dbraw/zinc/44/70/01/841447001.db2.gz VKLJVUXAIIXSFB-NEPJUHHUSA-N 0 2 307.398 1.145 20 30 DDEDLN C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001269269192 841447009 /nfs/dbraw/zinc/44/70/09/841447009.db2.gz VKLJVUXAIIXSFB-NEPJUHHUSA-N 0 2 307.398 1.145 20 30 DDEDLN CC(=O)c1cnc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)s1 ZINC001411830644 853797663 /nfs/dbraw/zinc/79/76/63/853797663.db2.gz XDVHSBAXKGRXRA-UHFFFAOYSA-N 0 2 302.315 1.879 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)C(F)C(F)(F)F)CC1 ZINC001412288581 854408817 /nfs/dbraw/zinc/40/88/17/854408817.db2.gz NBWCNKOZVQSSLX-SCZZXKLOSA-N 0 2 323.290 1.496 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001412288581 854408819 /nfs/dbraw/zinc/40/88/19/854408819.db2.gz NBWCNKOZVQSSLX-SCZZXKLOSA-N 0 2 323.290 1.496 20 30 DDEDLN C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CCO[C@H](C)C1 ZINC001122490587 858849305 /nfs/dbraw/zinc/84/93/05/858849305.db2.gz PDRNUSZERDMGJH-SECBINFHSA-N 0 2 323.788 1.518 20 30 DDEDLN C=CCCCCCO[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001224428420 881390249 /nfs/dbraw/zinc/39/02/49/881390249.db2.gz XCQSTDQFMHDHNG-AWEZNQCLSA-N 0 2 321.439 1.338 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)N(CC)OC)cc2[nH]c1=S ZINC001124040504 859544329 /nfs/dbraw/zinc/54/43/29/859544329.db2.gz XHHZBOLQZKIGKQ-UHFFFAOYSA-N 0 2 319.386 1.895 20 30 DDEDLN C#CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001157153272 863615178 /nfs/dbraw/zinc/61/51/78/863615178.db2.gz GNWPAUUXLSHZHI-GDBMZVCRSA-N 0 2 302.422 1.144 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001339499976 870528099 /nfs/dbraw/zinc/52/80/99/870528099.db2.gz LLJKTAHWMAHQBB-WCBMZHEXSA-N 0 2 321.274 1.321 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001339499976 870528105 /nfs/dbraw/zinc/52/81/05/870528105.db2.gz LLJKTAHWMAHQBB-WCBMZHEXSA-N 0 2 321.274 1.321 20 30 DDEDLN C#CC[C@@H]1CCCN(c2nnc(-c3n[nH]c(Cl)n3)n2CC)C1 ZINC001342592952 872281638 /nfs/dbraw/zinc/28/16/38/872281638.db2.gz WPHQUEGNYCXJJV-SNVBAGLBSA-N 0 2 319.800 1.976 20 30 DDEDLN C#C[C@H](C)N(C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC(C)C ZINC001342807562 872395076 /nfs/dbraw/zinc/39/50/76/872395076.db2.gz SFZOWLPVRARHCF-LBPRGKRZSA-N 0 2 316.409 1.981 20 30 DDEDLN Nc1cnnc(N=NCc2ccc([N+](=O)[O-])c(O)c2)c1Cl ZINC001319279214 872533586 /nfs/dbraw/zinc/53/35/86/872533586.db2.gz XSTBSCRNHXUCRD-UHFFFAOYSA-N 0 2 308.685 1.772 20 30 DDEDLN N#Cc1cc(F)c(NC(=O)[C@@H]([NH3+])Cc2c[nH+]c[nH]2)c(Cl)c1 ZINC001218994281 877859444 /nfs/dbraw/zinc/85/94/44/877859444.db2.gz BXSPSZHGVMTFCA-NSHDSACASA-N 0 2 307.716 1.582 20 30 DDEDLN C=C[C@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001228749943 883652927 /nfs/dbraw/zinc/65/29/27/883652927.db2.gz VRISVYBERSLPGC-QWRGUYRKSA-N 0 2 307.398 1.049 20 30 DDEDLN C=C[C@@H](C)[C@H](C)C(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001228749940 883653076 /nfs/dbraw/zinc/65/30/76/883653076.db2.gz VRISVYBERSLPGC-MNOVXSKESA-N 0 2 307.398 1.049 20 30 DDEDLN N#Cc1c(F)cc(CNC(=O)C[C@H]2SC(=N)NC2=O)cc1F ZINC001362706486 884453907 /nfs/dbraw/zinc/45/39/07/884453907.db2.gz PNOLJQMLKAMSCO-SNVBAGLBSA-N 0 2 324.312 1.009 20 30 DDEDLN CC[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@H](C)O1 ZINC001365269907 890472659 /nfs/dbraw/zinc/47/26/59/890472659.db2.gz IOPWOGGMCMHMHC-GXFFZTMASA-N 0 2 301.350 1.306 20 30 DDEDLN CC[C@@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)C[C@H](C)O1 ZINC001365269907 890472670 /nfs/dbraw/zinc/47/26/70/890472670.db2.gz IOPWOGGMCMHMHC-GXFFZTMASA-N 0 2 301.350 1.306 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)s2)CCC1=O ZINC001256447214 897440464 /nfs/dbraw/zinc/44/04/64/897440464.db2.gz DWDPHALKNRKBFI-SSDOTTSWSA-N 0 2 304.780 1.505 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2cc(F)ccc2F)CCC1=O ZINC001258945481 898375037 /nfs/dbraw/zinc/37/50/37/898375037.db2.gz CKGYNDQVKCDAAN-QMMMGPOBSA-N 0 2 300.286 1.068 20 30 DDEDLN Cn1cnc(C#N)c1NS(=O)(=O)c1ccc(C#N)cc1Cl ZINC001259107543 898471194 /nfs/dbraw/zinc/47/11/94/898471194.db2.gz DCSCGSCSRRVIAZ-UHFFFAOYSA-N 0 2 321.749 1.618 20 30 DDEDLN COC(=O)c1cccc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC001259117896 898476387 /nfs/dbraw/zinc/47/63/87/898476387.db2.gz NZPKPDDGPNGCFX-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN CCn1cc(S(=O)(=O)Nc2ccc(F)c(CC#N)c2)cn1 ZINC001259839611 898854951 /nfs/dbraw/zinc/85/49/51/898854951.db2.gz HLITUNXEYWGHAE-UHFFFAOYSA-N 0 2 308.338 1.909 20 30 DDEDLN C=CCS(=O)(=O)Nc1nccnc1OCc1ccccc1 ZINC001259922936 898936018 /nfs/dbraw/zinc/93/60/18/898936018.db2.gz ZDSPKFDINAVEFQ-UHFFFAOYSA-N 0 2 305.359 1.983 20 30 DDEDLN C=C1CCC(C(=O)N2CC(NC(=O)C(F)C(F)(F)F)C2)CC1 ZINC001284913127 909720458 /nfs/dbraw/zinc/72/04/58/909720458.db2.gz GEEGSYVJMQTYOA-NSHDSACASA-N 0 2 322.302 1.960 20 30 DDEDLN C=C1CCC(C(=O)N2CC(NC(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001284913127 909720463 /nfs/dbraw/zinc/72/04/63/909720463.db2.gz GEEGSYVJMQTYOA-NSHDSACASA-N 0 2 322.302 1.960 20 30 DDEDLN C#CCN(CC#N)C(=O)c1cc(Br)cc(F)c1O ZINC001296847585 916596813 /nfs/dbraw/zinc/59/68/13/916596813.db2.gz KERBIWGHQWRQRI-UHFFFAOYSA-N 0 2 311.110 1.893 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1ccc(-c2nc[nH]n2)cc1F ZINC000424070092 529588302 /nfs/dbraw/zinc/58/83/02/529588302.db2.gz RFVYZJXLLWOVER-SECBINFHSA-N 0 2 309.326 1.655 20 30 DDEDLN CC(C)Cc1ccc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)cc1 ZINC000564963684 304030918 /nfs/dbraw/zinc/03/09/18/304030918.db2.gz OURKWDCAEDFHGA-UHFFFAOYSA-N 0 2 311.341 1.490 20 30 DDEDLN CC/N=C1/NC(=O)C(CC(=O)Nc2cccc([N+](=O)[O-])c2)S1 ZINC000298748398 222853607 /nfs/dbraw/zinc/85/36/07/222853607.db2.gz SGCHDXIKIXIZAY-SNVBAGLBSA-N 0 2 322.346 1.531 20 30 DDEDLN CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S1 ZINC000298748398 222853612 /nfs/dbraw/zinc/85/36/12/222853612.db2.gz SGCHDXIKIXIZAY-SNVBAGLBSA-N 0 2 322.346 1.531 20 30 DDEDLN N#CC1CN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C1 ZINC000590492109 355105378 /nfs/dbraw/zinc/10/53/78/355105378.db2.gz QJEDUPRSURAJRC-UHFFFAOYSA-N 0 2 302.721 1.827 20 30 DDEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ccc(C#N)c(C#N)c1 ZINC000276971262 213211276 /nfs/dbraw/zinc/21/12/76/213211276.db2.gz FLIDLZZIBAIMQK-UHFFFAOYSA-N 0 2 324.262 1.826 20 30 DDEDLN Cc1nnc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)o1 ZINC000593278258 355843695 /nfs/dbraw/zinc/84/36/95/355843695.db2.gz IOMPZOZZMYBXMJ-UHFFFAOYSA-N 0 2 306.347 1.980 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC2CCC(O)CC2)cc1C#N ZINC000598339876 357542959 /nfs/dbraw/zinc/54/29/59/357542959.db2.gz BWBQNJHPDASUQE-UHFFFAOYSA-N 0 2 321.402 1.662 20 30 DDEDLN N#Cc1nc(NC(=O)COc2ccccc2[N+](=O)[O-])[nH]c1C#N ZINC000026273992 248181671 /nfs/dbraw/zinc/18/16/71/248181671.db2.gz XDEHMXKKASKRII-UHFFFAOYSA-N 0 2 312.245 1.079 20 30 DDEDLN O=C(CC1S/C(=N\C2CC2)NC1=O)Nc1ccc(F)cc1 ZINC000007126280 406750515 /nfs/dbraw/zinc/75/05/15/406750515.db2.gz GKBJSPFIKPLPHF-NSHDSACASA-N 0 2 307.350 1.904 20 30 DDEDLN O=C(C[C@@H]1S/C(=N\C2CC2)NC1=O)Nc1ccc(F)cc1 ZINC000007126280 406750526 /nfs/dbraw/zinc/75/05/26/406750526.db2.gz GKBJSPFIKPLPHF-NSHDSACASA-N 0 2 307.350 1.904 20 30 DDEDLN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2c[nH]c3c(cnn3C)c2=O)C1 ZINC000179504540 407799652 /nfs/dbraw/zinc/79/96/52/407799652.db2.gz WRCSSMDUFJQJOU-QLJPJBMISA-N 0 2 313.361 1.876 20 30 DDEDLN Cc1c(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])cnn1C ZINC000176973364 408487771 /nfs/dbraw/zinc/48/77/71/408487771.db2.gz CRTTZRAAPBUXNI-UHFFFAOYSA-N 0 2 321.318 1.309 20 30 DDEDLN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(F)c(C#N)c1 ZINC000227933402 163338644 /nfs/dbraw/zinc/33/86/44/163338644.db2.gz USJHGIHQRFEAQO-UHFFFAOYSA-N 0 2 314.729 1.885 20 30 DDEDLN COCCn1cc(NS(=O)(=O)c2ccc(C#N)c(C)c2)cn1 ZINC000277680563 408990775 /nfs/dbraw/zinc/99/07/75/408990775.db2.gz UHQHWPOWWMWYFE-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN CSc1cccc(C(=O)N=c2[nH][nH]c(C)c2C#N)c1[N+](=O)[O-] ZINC000357231736 409950329 /nfs/dbraw/zinc/95/03/29/409950329.db2.gz MGLWGQCLARBSDM-UHFFFAOYSA-N 0 2 317.330 2.472 20 30 DDEDLN CC/N=C1/NC(=O)[C@H](CC(=O)NCCc2ccccc2F)S1 ZINC000298831807 410418406 /nfs/dbraw/zinc/41/84/06/410418406.db2.gz XMYLIXOJHZFLHF-LBPRGKRZSA-N 0 2 323.393 1.482 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cc(F)cc2nccnc21 ZINC000359724104 410839349 /nfs/dbraw/zinc/83/93/49/410839349.db2.gz LNMKMTSNMQFBFS-UHFFFAOYSA-N 0 2 322.303 2.493 20 30 DDEDLN Cc1cc(C)cc(N2CCC(=C([O-])[NH+]=C3C[C@H](C)ON3)C2=O)c1 ZINC000378313100 418721114 /nfs/dbraw/zinc/72/11/14/418721114.db2.gz YJGWQRKLDKNZNN-GXTWGEPZSA-N 0 2 315.373 1.895 20 30 DDEDLN COc1ccnc(NS(=O)(=O)c2ccc(C#N)c(F)c2)c1 ZINC000427773577 419731282 /nfs/dbraw/zinc/73/12/82/419731282.db2.gz KFDRUDZMHOFJAA-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN C=CCn1cccc1C(=O)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000420113058 420120506 /nfs/dbraw/zinc/12/05/06/420120506.db2.gz DVBCNHLDKZHZAW-LLVKDONJSA-N 0 2 301.350 1.865 20 30 DDEDLN COC(=O)[C@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C1CC1 ZINC000439094930 420479593 /nfs/dbraw/zinc/47/95/93/420479593.db2.gz CHZYXWDINYLAEV-SNVBAGLBSA-N 0 2 321.358 1.062 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2n[nH]cc2Br)o1 ZINC000562913956 421424364 /nfs/dbraw/zinc/42/43/64/421424364.db2.gz CGADLAPFMPAIEU-UHFFFAOYSA-N 0 2 317.124 1.438 20 30 DDEDLN Cc1[nH]ncc1CCCNS(=O)(=O)c1ccc(C#N)cc1F ZINC000581410834 421965821 /nfs/dbraw/zinc/96/58/21/421965821.db2.gz HGXXHSAZRYPDNI-UHFFFAOYSA-N 0 2 322.365 1.640 20 30 DDEDLN C=CCC[C@@H](CO)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632425366 422332823 /nfs/dbraw/zinc/33/28/23/422332823.db2.gz PZTDPDDGVCMQOL-VIFPVBQESA-N 0 2 320.798 1.811 20 30 DDEDLN N#C[C@H]1CN(C(=O)c2cc(F)c(O)c(Cl)c2)CCN1C1CC1 ZINC000373077763 303169201 /nfs/dbraw/zinc/16/92/01/303169201.db2.gz CZDRKLREKCREMM-NSHDSACASA-N 0 2 323.755 1.997 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000390355206 333271250 /nfs/dbraw/zinc/27/12/50/333271250.db2.gz FNJCYFAQUGGCMN-AWEZNQCLSA-N 0 2 304.375 1.975 20 30 DDEDLN N#CCc1ccnc(NS(=O)(=O)c2cncc(Cl)c2)c1 ZINC000549528642 341296491 /nfs/dbraw/zinc/29/64/91/341296491.db2.gz WJIPYWSAZAQOTG-UHFFFAOYSA-N 0 2 308.750 1.997 20 30 DDEDLN C=CC[C@H](CO)NC(=O)C1=NN(c2ccccc2CC)CC1=O ZINC000337045605 527209164 /nfs/dbraw/zinc/20/91/64/527209164.db2.gz FLYQZKUUFMKGGO-CYBMUJFWSA-N 0 2 315.373 1.807 20 30 DDEDLN N#CCCN(CC[NH+]1CCOCC1)Cc1cccc(C(=O)[O-])c1 ZINC000821324800 598210387 /nfs/dbraw/zinc/21/03/87/598210387.db2.gz OKBHNOLDKFDTPX-UHFFFAOYSA-N 0 2 317.389 1.433 20 30 DDEDLN N#Cc1ccc(N2CC[NH+](Cc3cc(C(=O)[O-])co3)CC2)nc1 ZINC000739123859 599848198 /nfs/dbraw/zinc/84/81/98/599848198.db2.gz WZRUWIYETHCLGM-UHFFFAOYSA-N 0 2 312.329 1.567 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000739585915 601982143 /nfs/dbraw/zinc/98/21/43/601982143.db2.gz QZPXZGRHIFVIRT-AWEZNQCLSA-N 0 2 316.361 1.571 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000739585915 601982145 /nfs/dbraw/zinc/98/21/45/601982145.db2.gz QZPXZGRHIFVIRT-AWEZNQCLSA-N 0 2 316.361 1.571 20 30 DDEDLN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738633092 604428518 /nfs/dbraw/zinc/42/85/18/604428518.db2.gz VQNPUZMIGIHVBU-ZWNOBZJWSA-N 0 2 302.334 1.227 20 30 DDEDLN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738633092 604428522 /nfs/dbraw/zinc/42/85/22/604428522.db2.gz VQNPUZMIGIHVBU-ZWNOBZJWSA-N 0 2 302.334 1.227 20 30 DDEDLN C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CCN(C)C(=O)[O-] ZINC000833788626 605525077 /nfs/dbraw/zinc/52/50/77/605525077.db2.gz BJHZECIQFKJPMO-NSHDSACASA-N 0 2 304.350 1.427 20 30 DDEDLN C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CCN(C)C(=O)[O-] ZINC000833788626 605525082 /nfs/dbraw/zinc/52/50/82/605525082.db2.gz BJHZECIQFKJPMO-NSHDSACASA-N 0 2 304.350 1.427 20 30 DDEDLN CCCCCCCCCn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O ZINC000825272100 608096280 /nfs/dbraw/zinc/09/62/80/608096280.db2.gz UMPSOVZLBKJDPI-UHFFFAOYSA-N 0 2 320.397 1.478 20 30 DDEDLN COc1ccc(OCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000122987741 696727399 /nfs/dbraw/zinc/72/73/99/696727399.db2.gz URKHKWHIZNZHLU-ZDUSSCGKSA-N 0 2 313.313 1.399 20 30 DDEDLN C=CCn1nnnc1SCC(=O)NOCc1ccccc1 ZINC000052894875 696261807 /nfs/dbraw/zinc/26/18/07/696261807.db2.gz CSYAQQWHGCFFAP-UHFFFAOYSA-N 0 2 305.363 1.199 20 30 DDEDLN C[C@H](OC[C@H]1CCCCO1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000245999247 698341562 /nfs/dbraw/zinc/34/15/62/698341562.db2.gz OEGPKAHLTXEZPL-XQQFMLRXSA-N 0 2 319.361 1.286 20 30 DDEDLN Cc1nnc(NN=Cc2cc(-n3cc[nH+]c3)cs2)[n-]c1=O ZINC000783805926 698883353 /nfs/dbraw/zinc/88/33/53/698883353.db2.gz LCACPTRMZLXZPN-UHFFFAOYSA-N 0 2 301.335 1.579 20 30 DDEDLN CC(C)CC/N=C1/NC(=O)C(CC(=O)Nc2cnccn2)S1 ZINC000730816218 699516416 /nfs/dbraw/zinc/51/64/16/699516416.db2.gz POFZLLFXXQXMCC-JTQLQIEISA-N 0 2 321.406 1.439 20 30 DDEDLN CC(C)C/N=C1/NC(=O)C(CC(=O)Nc2cnccn2)S1 ZINC000730815566 699516582 /nfs/dbraw/zinc/51/65/82/699516582.db2.gz JNDSRFCRGYTTBD-VIFPVBQESA-N 0 2 307.379 1.049 20 30 DDEDLN N#CC(C(=O)CN1c2ccccc2OCCC1=O)c1ccncn1 ZINC000760342944 700803544 /nfs/dbraw/zinc/80/35/44/700803544.db2.gz ZMFDQHJYFSNDEQ-GFCCVEGCSA-N 0 2 322.324 1.469 20 30 DDEDLN N#C[C@@H](C(=O)CN1c2ccccc2OCCC1=O)c1ccncn1 ZINC000760342944 700803545 /nfs/dbraw/zinc/80/35/45/700803545.db2.gz ZMFDQHJYFSNDEQ-GFCCVEGCSA-N 0 2 322.324 1.469 20 30 DDEDLN C#C[C@@H](CC)OC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000768052009 701155241 /nfs/dbraw/zinc/15/52/41/701155241.db2.gz WXTUGNLDLCHSIJ-JTQLQIEISA-N 0 2 302.355 1.791 20 30 DDEDLN Cc1cc(C)n([C@H](C)CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)n1 ZINC000770875562 701298733 /nfs/dbraw/zinc/29/87/33/701298733.db2.gz BYNBAKCTQRWPTM-CHWSQXEVSA-N 0 2 313.361 1.776 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1N[NH+]=Cc1cnc(N(C)C)nc1 ZINC000814887772 701764559 /nfs/dbraw/zinc/76/45/59/701764559.db2.gz YCFZFWYXPCFVRK-UHFFFAOYSA-N 0 2 315.333 1.695 20 30 DDEDLN CCn1ncn(N=Cc2cc(Cl)cc(Cl)c2O)c1=O ZINC000814235537 702501611 /nfs/dbraw/zinc/50/16/11/702501611.db2.gz OXMRFUFPLUBZDW-UHFFFAOYSA-N 0 2 301.133 1.959 20 30 DDEDLN COCCCNC(=O)C(C#N)=C([O-])c1c[nH+]c2n1[C@H](C)CCC2 ZINC000845440451 703157233 /nfs/dbraw/zinc/15/72/33/703157233.db2.gz RKSWHCSGEXWPRM-VXGBXAGGSA-N 0 2 318.377 1.256 20 30 DDEDLN C#CCONC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000855603436 704493276 /nfs/dbraw/zinc/49/32/76/704493276.db2.gz NRJLUZPUQLZRKQ-UHFFFAOYSA-N 0 2 310.331 1.518 20 30 DDEDLN C#CCONC(=O)[C@]1(C)CC1(Br)Br ZINC000855606023 704493313 /nfs/dbraw/zinc/49/33/13/704493313.db2.gz FLQUVZGFYZFVTD-ZETCQYMHSA-N 0 2 310.973 1.564 20 30 DDEDLN Cc1ccccc1COCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000857013300 704547197 /nfs/dbraw/zinc/54/71/97/704547197.db2.gz MMWIAZNCLISMTF-CQSZACIVSA-N 0 2 311.341 1.837 20 30 DDEDLN CC[C@H](CC#N)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000860827401 705293695 /nfs/dbraw/zinc/29/36/95/705293695.db2.gz ZOWONGOZIIZMEO-MRVPVSSYSA-N 0 2 317.267 1.880 20 30 DDEDLN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ncc[nH]2)C1=O ZINC000834785011 707117878 /nfs/dbraw/zinc/11/78/78/707117878.db2.gz FDGSWIAYUFCAJH-OAHLLOKOSA-N 0 2 321.381 1.726 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCN(c2ccccc2)C1 ZINC000835234989 707201379 /nfs/dbraw/zinc/20/13/79/707201379.db2.gz LRRDANMCHMEKFE-ZFWWWQNUSA-N 0 2 322.368 1.838 20 30 DDEDLN CO[C@@H](Cc1ccccc1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000835235858 707201820 /nfs/dbraw/zinc/20/18/20/707201820.db2.gz UKSQNOMGKXVKKM-KBPBESRZSA-N 0 2 311.341 1.569 20 30 DDEDLN N#Cc1c[nH]c(=O)n(C[C@H]2CCC[C@H](c3ccccc3)O2)c1=O ZINC000882178366 707527696 /nfs/dbraw/zinc/52/76/96/707527696.db2.gz GTZSBYFPPJZKQC-HUUCEWRRSA-N 0 2 311.341 1.719 20 30 DDEDLN CC(C)[C@@H](CO)ONC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000836893575 707540953 /nfs/dbraw/zinc/54/09/53/707540953.db2.gz LBWSWLAEZLGDJJ-CQSZACIVSA-N 0 2 306.337 1.794 20 30 DDEDLN C=C(C)C[C@H](CO)NC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000882891914 707840537 /nfs/dbraw/zinc/84/05/37/707840537.db2.gz IFWMTMXPKSWYLK-LLVKDONJSA-N 0 2 301.346 1.701 20 30 DDEDLN C[C@]1(C#N)CN(C(=O)C2=NN(c3ccccc3)CC2=O)CCO1 ZINC000887678822 709099993 /nfs/dbraw/zinc/09/99/93/709099993.db2.gz KGSYNHCYECCOJG-INIZCTEOSA-N 0 2 312.329 1.333 20 30 DDEDLN Cn1nc(C2CC2)cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000901827108 710155671 /nfs/dbraw/zinc/15/56/71/710155671.db2.gz YKTMOMPZHHIHAS-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN CO[C@@H](CS(=O)(=O)Nc1c(C#N)c(C)nn1C)C(C)C ZINC000903173715 711054768 /nfs/dbraw/zinc/05/47/68/711054768.db2.gz UTQGHKIHXGJQQL-NSHDSACASA-N 0 2 300.384 1.013 20 30 DDEDLN C=CCCC(=O)[C@@H]1CCCN1C(=O)C[C@H]1SC(=N)NC1=O ZINC000908645907 712828164 /nfs/dbraw/zinc/82/81/64/712828164.db2.gz FKCPCYASFZKPJG-GXSJLCMTSA-N 0 2 309.391 1.069 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2cnc(Cl)nc2)cc1F ZINC000307930706 735090247 /nfs/dbraw/zinc/09/02/47/735090247.db2.gz BXZVSMFCMCOTTQ-UHFFFAOYSA-N 0 2 312.713 1.942 20 30 DDEDLN C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001024757738 736072941 /nfs/dbraw/zinc/07/29/41/736072941.db2.gz IJYRNIGJAXXDCK-LLVKDONJSA-N 0 2 314.345 1.146 20 30 DDEDLN C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001024757738 736072942 /nfs/dbraw/zinc/07/29/42/736072942.db2.gz IJYRNIGJAXXDCK-LLVKDONJSA-N 0 2 314.345 1.146 20 30 DDEDLN C=CC[C@@H]1CCN(C(=O)c2ccc(-n3[nH]c(=O)[nH]c3=O)cc2)C1 ZINC001167720644 737002371 /nfs/dbraw/zinc/00/23/71/737002371.db2.gz OMDBSNPQFSOFOX-LLVKDONJSA-N 0 2 314.345 1.304 20 30 DDEDLN C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001088678263 742070523 /nfs/dbraw/zinc/07/05/23/742070523.db2.gz MVAHJMFOWDMMSY-ILXRZTDVSA-N 0 2 302.422 1.601 20 30 DDEDLN C#CCCCC(=O)NCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001076302392 742647812 /nfs/dbraw/zinc/64/78/12/742647812.db2.gz IDZGZDPEXYSBIH-ONGXEEELSA-N 0 2 310.291 1.701 20 30 DDEDLN C#CCCCC(=O)NCC[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001076302392 742647816 /nfs/dbraw/zinc/64/78/16/742647816.db2.gz IDZGZDPEXYSBIH-ONGXEEELSA-N 0 2 310.291 1.701 20 30 DDEDLN Cn1c(=O)[nH]c(NCc2nc3ccccc3s2)c(C#N)c1=O ZINC001184501202 744058888 /nfs/dbraw/zinc/05/88/88/744058888.db2.gz WNUBWMNXLORVSC-UHFFFAOYSA-N 0 2 313.342 1.167 20 30 DDEDLN C[C@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001120845282 744501886 /nfs/dbraw/zinc/50/18/86/744501886.db2.gz PFSLQCFTJDDDCZ-VXNVDRBHSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001120845282 744501889 /nfs/dbraw/zinc/50/18/89/744501889.db2.gz PFSLQCFTJDDDCZ-VXNVDRBHSA-N 0 2 319.262 1.507 20 30 DDEDLN N#Cc1cncc(NS(=O)(=O)Cc2cccc(F)c2F)n1 ZINC001189416820 744892319 /nfs/dbraw/zinc/89/23/19/744892319.db2.gz CFOLFVYYOOITOT-UHFFFAOYSA-N 0 2 310.285 1.568 20 30 DDEDLN N#CCS(=O)(=O)Nc1nc(Br)cnc1Cl ZINC001192939588 745940060 /nfs/dbraw/zinc/94/00/60/745940060.db2.gz UFKCLBIRJQVLKQ-UHFFFAOYSA-N 0 2 311.548 1.158 20 30 DDEDLN CCOC(=O)c1cnc2cccc(NS(=O)(=O)CC#N)c2c1 ZINC001192985790 745941682 /nfs/dbraw/zinc/94/16/82/745941682.db2.gz NPUGLCHVSVNHGJ-UHFFFAOYSA-N 0 2 319.342 1.677 20 30 DDEDLN C[C@@H](C#N)S(=O)(=O)Nc1cnc2c(C3CCC3)cnn2c1 ZINC001193111446 745982167 /nfs/dbraw/zinc/98/21/67/745982167.db2.gz HPVBRDQJOKGRRP-VIFPVBQESA-N 0 2 305.363 1.651 20 30 DDEDLN COc1ncnc(NC(=O)c2cccc(C#N)c2O)c1OC ZINC001193642672 746159837 /nfs/dbraw/zinc/15/98/37/746159837.db2.gz MPZASWWCZXQMME-UHFFFAOYSA-N 0 2 300.274 1.323 20 30 DDEDLN CCOC(=O)C1=C(NC(=O)c2cccc(C#N)c2O)[C@@H](C)OC1 ZINC001193658221 746168682 /nfs/dbraw/zinc/16/86/82/746168682.db2.gz YZNLKVWNDSYNLF-SECBINFHSA-N 0 2 316.313 1.230 20 30 DDEDLN C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001195149051 746537602 /nfs/dbraw/zinc/53/76/02/746537602.db2.gz IOMURLMNMMLKHQ-HZPDHXFCSA-N 0 2 320.437 1.181 20 30 DDEDLN Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001129262448 752818545 /nfs/dbraw/zinc/81/85/45/752818545.db2.gz ALRBSTARUNYVLG-ZYHUDNBSSA-N 0 2 312.289 1.051 20 30 DDEDLN C[C@H](CNc1cnc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001108170895 753346003 /nfs/dbraw/zinc/34/60/03/753346003.db2.gz QSRMADXCYOSPBF-HZGVNTEJSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNc1cnc(C#N)cn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001108170895 753346007 /nfs/dbraw/zinc/34/60/07/753346007.db2.gz QSRMADXCYOSPBF-HZGVNTEJSA-N 0 2 305.235 1.165 20 30 DDEDLN C=CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001005979308 753449634 /nfs/dbraw/zinc/44/96/34/753449634.db2.gz DWXJSBYTDIKYOB-AWEZNQCLSA-N 0 2 302.422 1.938 20 30 DDEDLN O=C(CCNC(O)=C1N=CC=CC1=O)N1CC=CC12CCCC2 ZINC000827900420 759413211 /nfs/dbraw/zinc/41/32/11/759413211.db2.gz OEXMHMMPPQJWFY-FOCLMDBBSA-N 0 2 315.373 1.614 20 30 DDEDLN N#Cc1cnccc1N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001056052698 760934300 /nfs/dbraw/zinc/93/43/00/760934300.db2.gz LFEJTBBSNOZWPD-NSHDSACASA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1cnccc1N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001056052698 760934306 /nfs/dbraw/zinc/93/43/06/760934306.db2.gz LFEJTBBSNOZWPD-NSHDSACASA-N 0 2 316.258 1.502 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nc1 ZINC001098328615 768291657 /nfs/dbraw/zinc/29/16/57/768291657.db2.gz ZEVJSVUEOAAVJW-XCBNKYQSSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ccc(C#N)nc1 ZINC001098328615 768291668 /nfs/dbraw/zinc/29/16/68/768291668.db2.gz ZEVJSVUEOAAVJW-XCBNKYQSSA-N 0 2 304.247 1.770 20 30 DDEDLN CCOC(=O)C(C#N)Nc1nc2ccccc2nc1C(C#N)C#N ZINC001170367651 766267290 /nfs/dbraw/zinc/26/72/90/766267290.db2.gz HHXDVPWLEQLQPW-ZDUSSCGKSA-N 0 2 320.312 1.628 20 30 DDEDLN CCOC(=O)[C@H](C#N)Nc1nc2ccccc2nc1C(C#N)C#N ZINC001170367651 766267294 /nfs/dbraw/zinc/26/72/94/766267294.db2.gz HHXDVPWLEQLQPW-ZDUSSCGKSA-N 0 2 320.312 1.628 20 30 DDEDLN C=C(C)CN(CC)C(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001136099208 771876333 /nfs/dbraw/zinc/87/63/33/771876333.db2.gz UVSKLXZNXHWMKH-UHFFFAOYSA-N 0 2 302.334 1.304 20 30 DDEDLN N#Cc1nc[nH]c1NC(=O)c1cc(O)c(Br)c(O)c1 ZINC001148981445 773663628 /nfs/dbraw/zinc/66/36/28/773663628.db2.gz KQVHDFHHBMSGQR-UHFFFAOYSA-N 0 2 323.106 1.707 20 30 DDEDLN N#Cc1cnccc1NCCCNC(=O)C(F)C(F)(F)F ZINC001094845842 776468182 /nfs/dbraw/zinc/46/81/82/776468182.db2.gz JUYCHNUKKCVIFX-SNVBAGLBSA-N 0 2 304.247 1.194 20 30 DDEDLN N#Cc1cnccc1NCCCNC(=O)[C@@H](F)C(F)(F)F ZINC001094845842 776468185 /nfs/dbraw/zinc/46/81/85/776468185.db2.gz JUYCHNUKKCVIFX-SNVBAGLBSA-N 0 2 304.247 1.194 20 30 DDEDLN CN(CCNc1cnc(C#N)cn1)C(=O)C(F)C(F)(F)F ZINC001102002854 777785593 /nfs/dbraw/zinc/78/55/93/777785593.db2.gz CYGAYQUQRFHIML-SECBINFHSA-N 0 2 305.235 1.119 20 30 DDEDLN CN(CCNc1cnc(C#N)cn1)C(=O)[C@@H](F)C(F)(F)F ZINC001102002854 777785600 /nfs/dbraw/zinc/78/56/00/777785600.db2.gz CYGAYQUQRFHIML-SECBINFHSA-N 0 2 305.235 1.119 20 30 DDEDLN N#CCCc1ccc(NC(=O)CC2SC(=N)NC2=O)cc1 ZINC001413592036 857198559 /nfs/dbraw/zinc/19/85/59/857198559.db2.gz FULKLLOXAWNVPX-LLVKDONJSA-N 0 2 302.359 1.638 20 30 DDEDLN C[NH+](C)CCN1CC[N@H+](Cc2ccc(C#N)cc2F)CCC1=O ZINC001140140354 860582787 /nfs/dbraw/zinc/58/27/87/860582787.db2.gz UAQXZTJPQBMGBW-UHFFFAOYSA-N 0 2 318.396 1.293 20 30 DDEDLN C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)C(F)C(F)(F)F)C1 ZINC001381527132 882076655 /nfs/dbraw/zinc/07/66/55/882076655.db2.gz ADUIRDYVKATTAQ-BGZDPUMWSA-N 0 2 309.263 1.057 20 30 DDEDLN C[C@H](C#N)C(=O)N[C@H]1C[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001381527132 882076672 /nfs/dbraw/zinc/07/66/72/882076672.db2.gz ADUIRDYVKATTAQ-BGZDPUMWSA-N 0 2 309.263 1.057 20 30 DDEDLN Cn1ccnc1[C@@H](C#N)C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001342926334 872437874 /nfs/dbraw/zinc/43/78/74/872437874.db2.gz YDHPOQDDDCCIHU-LRDDRELGSA-N 0 2 300.362 1.293 20 30 DDEDLN N#C[C@H](C(=O)[C@@H]1CCCN(C2CC2)C1=O)c1cccc(F)n1 ZINC001342958867 872451693 /nfs/dbraw/zinc/45/16/93/872451693.db2.gz KMRNOERTRXQWJP-RYUDHWBXSA-N 0 2 301.321 1.798 20 30 DDEDLN C#C[C@@H](C)N(C)c1nnc(-c2n[nH]c(Cl)n2)n1CC(=C)C ZINC001343420887 872617877 /nfs/dbraw/zinc/61/78/77/872617877.db2.gz WGMMGZSYXAMEGH-SECBINFHSA-N 0 2 305.773 1.751 20 30 DDEDLN CCC#C[C@H](C)Oc1nc(I)cc(=O)[nH]1 ZINC001228946807 883743224 /nfs/dbraw/zinc/74/32/24/883743224.db2.gz OBSCYAGHIZOWRS-ZETCQYMHSA-N 0 2 318.114 1.968 20 30 DDEDLN CCC(CC)(NC(=O)c1ccc(C#N)c(O)c1)c1nn[nH]n1 ZINC001362859979 884819122 /nfs/dbraw/zinc/81/91/22/884819122.db2.gz ZEYZNXZUXQACLM-UHFFFAOYSA-N 0 2 300.322 1.222 20 30 DDEDLN Cc1cc(F)c(C#N)cc1NC(=O)CC1SC(=N)NC1=O ZINC001363895716 887492686 /nfs/dbraw/zinc/49/26/86/887492686.db2.gz JYXMDDLBEZSDDP-JTQLQIEISA-N 0 2 306.322 1.501 20 30 DDEDLN C#CCCCC(=O)N(C)C[C@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001289961952 913294501 /nfs/dbraw/zinc/29/45/01/913294501.db2.gz PAZJTBBJTFSNBR-PWSUYJOCSA-N 0 2 322.302 1.750 20 30 DDEDLN C#CCCCC(=O)N(C)C[C@H]1CCN1C(=O)[C@H](F)C(F)(F)F ZINC001289961952 913294517 /nfs/dbraw/zinc/29/45/17/913294517.db2.gz PAZJTBBJTFSNBR-PWSUYJOCSA-N 0 2 322.302 1.750 20 30 DDEDLN N#Cc1cc(-c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)ccc1[O-] ZINC001242563876 891452954 /nfs/dbraw/zinc/45/29/54/891452954.db2.gz NFSAPJCOUZSDPP-UHFFFAOYSA-N 0 2 323.356 1.161 20 30 DDEDLN C=CCC1(C(=O)NCCNC(O)=C2N=CC=CC2=O)CCCC1 ZINC001293031602 914178338 /nfs/dbraw/zinc/17/83/38/914178338.db2.gz DFXGUWIFPBLTQK-CCEZHUSRSA-N 0 2 317.389 1.766 20 30 DDEDLN COc1cc(F)ncc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC001258053607 898037380 /nfs/dbraw/zinc/03/73/80/898037380.db2.gz GZMABIBOFMCZJU-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1ccc(C(N)=O)c(O)c1 ZINC001258289879 898129292 /nfs/dbraw/zinc/12/92/92/898129292.db2.gz CFPKTWRDURQCIP-UHFFFAOYSA-N 0 2 317.326 1.164 20 30 DDEDLN CC(C)C#CC(=O)N[C@]1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001299534662 898321425 /nfs/dbraw/zinc/32/14/25/898321425.db2.gz YFSTWVBBDSZVTE-DGCLKSJQSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)N[C@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001299534662 898321411 /nfs/dbraw/zinc/32/14/11/898321411.db2.gz YFSTWVBBDSZVTE-DGCLKSJQSA-N 0 2 322.302 1.653 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2cccc3cnccc32)cn1 ZINC001259151169 898492735 /nfs/dbraw/zinc/49/27/35/898492735.db2.gz AHSBPTIJLAJHAV-UHFFFAOYSA-N 0 2 311.326 1.697 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)c2cccc3nsnc32)ccn1 ZINC001260382774 899128538 /nfs/dbraw/zinc/12/85/38/899128538.db2.gz AEPHQTVFCFYRPW-UHFFFAOYSA-N 0 2 317.355 1.181 20 30 DDEDLN CC(C)(C)C#CC(=O)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001294740288 915333801 /nfs/dbraw/zinc/33/38/01/915333801.db2.gz YJLGGAJLTFNGQB-ONGXEEELSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)(C)C#CC(=O)N[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001294740288 915333818 /nfs/dbraw/zinc/33/38/18/915333818.db2.gz YJLGGAJLTFNGQB-ONGXEEELSA-N 0 2 322.302 1.653 20 30 DDEDLN COc1ccc2c(ccn2CC(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000047088071 352480415 /nfs/dbraw/zinc/48/04/15/352480415.db2.gz HQBUCPOXQFWYBV-UHFFFAOYSA-N 0 2 320.312 1.755 20 30 DDEDLN COc1cccc(COCC(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000047088083 352480610 /nfs/dbraw/zinc/48/06/10/352480610.db2.gz LDJYCWQZOTYHTF-UHFFFAOYSA-N 0 2 311.301 1.317 20 30 DDEDLN C=CCn1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1cccnc1 ZINC000091578494 353831143 /nfs/dbraw/zinc/83/11/43/353831143.db2.gz YWOXTPMMBHJBNT-UHFFFAOYSA-N 0 2 315.362 1.230 20 30 DDEDLN C=CCOCCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000598208280 357495038 /nfs/dbraw/zinc/49/50/38/357495038.db2.gz LGLDHOLOPFQUEL-UHFFFAOYSA-N 0 2 307.375 1.703 20 30 DDEDLN Cn1nc2c(c1NS(=O)(=O)c1cccc(C#N)c1)CCCC2 ZINC000601969188 358758666 /nfs/dbraw/zinc/75/86/66/358758666.db2.gz RJXLGMNKOSBLIM-UHFFFAOYSA-N 0 2 316.386 1.971 20 30 DDEDLN N#Cc1nc(NC(=O)c2cnc(-c3ccccc3)nc2)[nH]c1C#N ZINC000066914536 184438977 /nfs/dbraw/zinc/43/89/77/184438977.db2.gz WEONGSNTHQXLJR-UHFFFAOYSA-N 0 2 315.296 1.862 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)C[C@@H](OC)C1CC1 ZINC000569122968 304337939 /nfs/dbraw/zinc/33/79/39/304337939.db2.gz QNUDLPFZPYDPSJ-CQSZACIVSA-N 0 2 310.375 1.734 20 30 DDEDLN C=CCC(CC=C)C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000125902849 407400858 /nfs/dbraw/zinc/40/08/58/407400858.db2.gz SGFSWOWYPKDHLK-UHFFFAOYSA-N 0 2 316.408 1.617 20 30 DDEDLN Cc1cc(NS(=O)(=O)C[C@@H]2CCCCO2)nn1CCC#N ZINC000271067642 407495645 /nfs/dbraw/zinc/49/56/45/407495645.db2.gz NDXDBIDFHIHAPW-LBPRGKRZSA-N 0 2 312.395 1.416 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1c(C)csc1C(=O)OC ZINC000128474156 407539034 /nfs/dbraw/zinc/53/90/34/407539034.db2.gz CHXHHFYABWQXBK-QMMMGPOBSA-N 0 2 302.377 1.887 20 30 DDEDLN COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)C1 ZINC000175191821 408074515 /nfs/dbraw/zinc/07/45/15/408074515.db2.gz XWIPSDXCDIZXDF-DTWKUNHWSA-N 0 2 301.306 1.071 20 30 DDEDLN C#CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000158594568 408350123 /nfs/dbraw/zinc/35/01/23/408350123.db2.gz XCEBIVYVWOSEMV-UHFFFAOYSA-N 0 2 321.383 1.307 20 30 DDEDLN CCn1nccc1S(=O)(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000274406647 408394849 /nfs/dbraw/zinc/39/48/49/408394849.db2.gz HCWSXRVBQWWPLK-NSHDSACASA-N 0 2 320.374 1.995 20 30 DDEDLN C[C@H]1C[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C[C@@H](C)C1 ZINC000408489183 164347982 /nfs/dbraw/zinc/34/79/82/164347982.db2.gz QJDCMZKLAIEEGG-PJXYFTJBSA-N 0 2 321.402 1.830 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CSC[C@@H]2C)cc1C#N ZINC000342466697 409652968 /nfs/dbraw/zinc/65/29/68/409652968.db2.gz PWUFXZFEKRKOJO-OIBJUYFYSA-N 0 2 309.416 1.862 20 30 DDEDLN Cc1cc(=NC(=O)c2cc(O)ccc2[N+](=O)[O-])[nH]n1CCC#N ZINC000354374641 409807184 /nfs/dbraw/zinc/80/71/84/409807184.db2.gz CQHSNRNFIJWHNA-UHFFFAOYSA-N 0 2 315.289 1.971 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2c[nH]c(=O)c(Br)c2)c1C#N ZINC000357228001 409949594 /nfs/dbraw/zinc/94/95/94/409949594.db2.gz HWEJNAMNDFMYEP-UHFFFAOYSA-N 0 2 322.122 1.705 20 30 DDEDLN Cc1ccc2[nH+]c(CNC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cn2c1 ZINC000328961521 410023440 /nfs/dbraw/zinc/02/34/40/410023440.db2.gz QDFMJENCUHZQFY-HNNXBMFYSA-N 0 2 313.405 1.489 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCOC[C@@H]2C)cc1C#N ZINC000342953945 410025327 /nfs/dbraw/zinc/02/53/27/410025327.db2.gz WWWHNJJRPTZEKH-VHSXEESVSA-N 0 2 321.402 1.783 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCOC2)cc1C#N ZINC000330511890 410739611 /nfs/dbraw/zinc/73/96/11/410739611.db2.gz RRBMHEVTYAJSIM-SECBINFHSA-N 0 2 307.375 1.537 20 30 DDEDLN CC(C)(C)OC(=O)CSCC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000355806185 410686391 /nfs/dbraw/zinc/68/63/91/410686391.db2.gz FXXUBBGYEAUIAL-UHFFFAOYSA-N 0 2 321.362 1.166 20 30 DDEDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000347886952 410776367 /nfs/dbraw/zinc/77/63/67/410776367.db2.gz FWDJHGDXNAMVML-UHFFFAOYSA-N 0 2 316.342 1.712 20 30 DDEDLN CO[C@](C)(CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)C1CC1 ZINC000360743086 418505092 /nfs/dbraw/zinc/50/50/92/418505092.db2.gz BNEUFVLAUIXVJR-OAHLLOKOSA-N 0 2 321.402 1.926 20 30 DDEDLN Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427112614 419597006 /nfs/dbraw/zinc/59/70/06/419597006.db2.gz BRHGAYVNLWQZLS-UHFFFAOYSA-N 0 2 308.338 1.849 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000528967484 421525411 /nfs/dbraw/zinc/52/54/11/421525411.db2.gz AGLIPQZYKZMWRT-QWRGUYRKSA-N 0 2 303.362 1.905 20 30 DDEDLN CCn1cc[nH+]c1CNC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000582675978 337119825 /nfs/dbraw/zinc/11/98/25/337119825.db2.gz BSXNEWJSOYPKSN-UHFFFAOYSA-N 0 2 317.374 1.527 20 30 DDEDLN N#CCCC[C@H](N)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000567660614 341625235 /nfs/dbraw/zinc/62/52/35/341625235.db2.gz IEJHXVYVGOKMSE-VIFPVBQESA-N 0 2 307.404 1.648 20 30 DDEDLN C=CCCn1cc(C[N@@H+](C)[C@@H](Cc2ccccc2)C(=O)[O-])nn1 ZINC000656190616 484006522 /nfs/dbraw/zinc/00/65/22/484006522.db2.gz KTJVJKHVWDFHKN-INIZCTEOSA-N 0 2 314.389 1.982 20 30 DDEDLN C=CCCn1cc(C[N@H+](C)[C@@H](Cc2ccccc2)C(=O)[O-])nn1 ZINC000656190616 484006532 /nfs/dbraw/zinc/00/65/32/484006532.db2.gz KTJVJKHVWDFHKN-INIZCTEOSA-N 0 2 314.389 1.982 20 30 DDEDLN C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000819842130 597637599 /nfs/dbraw/zinc/63/75/99/597637599.db2.gz JRVGFSAYVAJSQQ-INIZCTEOSA-N 0 2 312.329 1.493 20 30 DDEDLN C[C@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000819842234 598225558 /nfs/dbraw/zinc/22/55/58/598225558.db2.gz LSCTWXFPUMLTRF-MRXNPFEDSA-N 0 2 312.329 1.493 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000736080802 600004237 /nfs/dbraw/zinc/00/42/37/600004237.db2.gz YFEPUBPCCQBPPA-HNNXBMFYSA-N 0 2 316.357 1.495 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000736080802 600004241 /nfs/dbraw/zinc/00/42/41/600004241.db2.gz YFEPUBPCCQBPPA-HNNXBMFYSA-N 0 2 316.357 1.495 20 30 DDEDLN N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000740322620 601962408 /nfs/dbraw/zinc/96/24/08/601962408.db2.gz WXVDVZFBOLUIFO-SECBINFHSA-N 0 2 308.363 1.148 20 30 DDEDLN N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000740322620 601962410 /nfs/dbraw/zinc/96/24/10/601962410.db2.gz WXVDVZFBOLUIFO-SECBINFHSA-N 0 2 308.363 1.148 20 30 DDEDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)c1ccc(Cl)c(C#N)n1 ZINC000828316703 604218384 /nfs/dbraw/zinc/21/83/84/604218384.db2.gz SDFSOPAMOQSGEY-UHFFFAOYSA-N 0 2 323.784 1.338 20 30 DDEDLN CCS(=O)(=O)CC[N@H+](C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833665345 604783697 /nfs/dbraw/zinc/78/36/97/604783697.db2.gz HBCKIQXKXRXLND-CYBMUJFWSA-N 0 2 310.375 1.050 20 30 DDEDLN CCS(=O)(=O)CC[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833665345 604783702 /nfs/dbraw/zinc/78/37/02/604783702.db2.gz HBCKIQXKXRXLND-CYBMUJFWSA-N 0 2 310.375 1.050 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000833966725 605685412 /nfs/dbraw/zinc/68/54/12/605685412.db2.gz NALAUVCMQKEHQB-KGYLQXTDSA-N 0 2 309.753 1.465 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2NC[C@H](NC(=O)[O-])C1CC1 ZINC000833965726 605920970 /nfs/dbraw/zinc/92/09/70/605920970.db2.gz QBVCFZBJHJWKDH-NSHDSACASA-N 0 2 315.337 1.198 20 30 DDEDLN Cc1nn(Cc2ccc(CC#N)cc2)c(=O)c(-c2nn[nH]n2)c1C ZINC000826334625 609486737 /nfs/dbraw/zinc/48/67/37/609486737.db2.gz CBUORSAIAMMZSW-UHFFFAOYSA-N 0 2 321.344 1.155 20 30 DDEDLN CC(C)[C@H]1N(c2[nH]c(=O)n(C)c(=O)c2C#N)CC12CC=CC2 ZINC001120858001 782190361 /nfs/dbraw/zinc/19/03/61/782190361.db2.gz SORGJKVZTBPQFQ-GFCCVEGCSA-N 0 2 300.362 1.126 20 30 DDEDLN C=CCOCCOC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000797309306 700004636 /nfs/dbraw/zinc/00/46/36/700004636.db2.gz DBQMMMZFYMKWHV-UHFFFAOYSA-N 0 2 320.370 1.582 20 30 DDEDLN Cc1nc2cc[nH]n2c(=O)c1CC(=O)OCCC(C)(C)C#N ZINC000776387471 698102294 /nfs/dbraw/zinc/10/22/94/698102294.db2.gz XDSRTSLVOCQDML-UHFFFAOYSA-N 0 2 302.334 1.357 20 30 DDEDLN COCc1ncc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)s1 ZINC000796816571 699954001 /nfs/dbraw/zinc/95/40/01/699954001.db2.gz JNOFQIPXBSYRAD-SECBINFHSA-N 0 2 316.342 1.646 20 30 DDEDLN N#C[C@@H](C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccncn1 ZINC000760352235 700804253 /nfs/dbraw/zinc/80/42/53/700804253.db2.gz JBMPCGVUMIFRMH-VXGBXAGGSA-N 0 2 310.288 1.918 20 30 DDEDLN C#CCCOc1ccc(C(=O)NCCc2n[nH]c(=S)o2)cc1 ZINC000841423208 702444600 /nfs/dbraw/zinc/44/46/00/702444600.db2.gz VIHNYZFSOJNGHJ-UHFFFAOYSA-N 0 2 317.370 1.733 20 30 DDEDLN N#CC1(Cn2cc(CNC(=O)C(F)(F)F)nn2)CCCC1 ZINC000849154180 703622214 /nfs/dbraw/zinc/62/22/14/703622214.db2.gz OEXGLQOQCHAMAP-UHFFFAOYSA-N 0 2 301.272 1.541 20 30 DDEDLN C#CCCN(CCOC)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000856388443 704525949 /nfs/dbraw/zinc/52/59/49/704525949.db2.gz ISQOOKVLPMDRMN-UHFFFAOYSA-N 0 2 313.357 1.690 20 30 DDEDLN Cn1nc2c(c1NS(=O)(=O)c1cc(F)cc(C#N)c1)CCC2 ZINC000872004822 707277919 /nfs/dbraw/zinc/27/79/19/707277919.db2.gz UWIOFDBPTXEOKL-UHFFFAOYSA-N 0 2 320.349 1.720 20 30 DDEDLN O=C(C[C@H]1S/C(=N/CC2CC2)NC1=O)NCc1ccccc1 ZINC000887268128 709002893 /nfs/dbraw/zinc/00/28/93/709002893.db2.gz CMBIZYJRELBAIP-CYBMUJFWSA-N 0 2 317.414 1.691 20 30 DDEDLN C=CCCC[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(=O)[O-] ZINC000910924299 710120549 /nfs/dbraw/zinc/12/05/49/710120549.db2.gz ZIGSPQQHJJQZSX-GJZGRUSLSA-N 0 2 324.421 1.556 20 30 DDEDLN C=CCCC[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(=O)[O-] ZINC000910924299 710120551 /nfs/dbraw/zinc/12/05/51/710120551.db2.gz ZIGSPQQHJJQZSX-GJZGRUSLSA-N 0 2 324.421 1.556 20 30 DDEDLN C=CCOC[C@H]([NH2+]Cc1cnc(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000901810890 710153184 /nfs/dbraw/zinc/15/31/84/710153184.db2.gz OSSIAXGNTJCURK-AWEZNQCLSA-N 0 2 301.346 1.822 20 30 DDEDLN C=CCOC[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC000901811249 710153926 /nfs/dbraw/zinc/15/39/26/710153926.db2.gz DELWAOLGVXTPAT-LBPRGKRZSA-N 0 2 323.780 1.972 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2ccnn2[C@@H]2CCOC2)c1 ZINC000903668614 711240900 /nfs/dbraw/zinc/24/09/00/711240900.db2.gz QYFAEFXXNXUFKS-GFCCVEGCSA-N 0 2 318.358 1.517 20 30 DDEDLN CC(C)(C)C#CC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC000913558989 713260081 /nfs/dbraw/zinc/26/00/81/713260081.db2.gz BZHMNFVAGBRUEA-CYBMUJFWSA-N 0 2 312.373 1.960 20 30 DDEDLN C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)Cc3c[nH+]cn3C)C(C)(C)[C@H]21 ZINC001087312213 736042071 /nfs/dbraw/zinc/04/20/71/736042071.db2.gz AWIGGGWZSYOTFU-PVAVHDDUSA-N 0 2 314.433 1.201 20 30 DDEDLN N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2nc[nH]n2)cc1 ZINC001024718531 736044270 /nfs/dbraw/zinc/04/42/70/736044270.db2.gz UXAXURLARQAPJV-OAHLLOKOSA-N 0 2 324.388 1.461 20 30 DDEDLN N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2nc[nH]n2)cc1 ZINC001024718531 736044274 /nfs/dbraw/zinc/04/42/74/736044274.db2.gz UXAXURLARQAPJV-OAHLLOKOSA-N 0 2 324.388 1.461 20 30 DDEDLN C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001027471903 738325665 /nfs/dbraw/zinc/32/56/65/738325665.db2.gz WRXTXDDALBWMOJ-GJZGRUSLSA-N 0 2 314.433 1.379 20 30 DDEDLN C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4ccncc4)c3)[C@@H]2C1 ZINC001076406354 742709330 /nfs/dbraw/zinc/70/93/30/742709330.db2.gz FPKXNEFFQAXRAD-WMLDXEAASA-N 0 2 321.384 1.047 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)Cc2ccc(F)cc2F)cn1 ZINC001189773463 744979226 /nfs/dbraw/zinc/97/92/26/744979226.db2.gz KKOJNAUJJYUWKS-UHFFFAOYSA-N 0 2 310.285 1.568 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2cncc(CO)c2)c1 ZINC001193654320 746167324 /nfs/dbraw/zinc/16/73/24/746167324.db2.gz YOJRQMPJIVBXJR-UHFFFAOYSA-N 0 2 319.342 1.255 20 30 DDEDLN CCN(C(=O)C#CC(C)C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001079732650 755553538 /nfs/dbraw/zinc/55/35/38/755553538.db2.gz JAZDJSHLXMHUJQ-GFCCVEGCSA-N 0 2 322.302 1.606 20 30 DDEDLN CCN(C(=O)C#CC(C)C)C1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001079732650 755553541 /nfs/dbraw/zinc/55/35/41/755553541.db2.gz JAZDJSHLXMHUJQ-GFCCVEGCSA-N 0 2 322.302 1.606 20 30 DDEDLN CCN(C(=O)C(F)C(F)(F)F)C1CN(C(=O)C#CC(C)C)C1 ZINC001079901389 755624622 /nfs/dbraw/zinc/62/46/22/755624622.db2.gz MYORXBGBBVRFRY-GFCCVEGCSA-N 0 2 322.302 1.606 20 30 DDEDLN CCN(C(=O)[C@@H](F)C(F)(F)F)C1CN(C(=O)C#CC(C)C)C1 ZINC001079901389 755624626 /nfs/dbraw/zinc/62/46/26/755624626.db2.gz MYORXBGBBVRFRY-GFCCVEGCSA-N 0 2 322.302 1.606 20 30 DDEDLN C[C@@H]1CC[C@H](NC(=O)C#CC(C)(C)C)CN1Cc1n[nH]c(=O)[nH]1 ZINC001132033130 768578405 /nfs/dbraw/zinc/57/84/05/768578405.db2.gz AVRCVFVNQZQCMW-NEPJUHHUSA-N 0 2 319.409 1.029 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1n[nH]c(C)c1[O-] ZINC001049421390 770808889 /nfs/dbraw/zinc/80/88/89/770808889.db2.gz COEAVXXHHPHLNJ-NEPJUHHUSA-N 0 2 324.812 1.855 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1n[nH]c(C)c1[O-] ZINC001049421390 770808906 /nfs/dbraw/zinc/80/89/06/770808906.db2.gz COEAVXXHHPHLNJ-NEPJUHHUSA-N 0 2 324.812 1.855 20 30 DDEDLN C#CC[N@H+]1CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC001136863046 772178204 /nfs/dbraw/zinc/17/82/04/772178204.db2.gz MHXVWPGZXSTWHJ-UHFFFAOYSA-N 0 2 324.384 1.359 20 30 DDEDLN C#CC[N@@H+]1CCCN(C(=O)c2nn(-c3ccccc3)cc2[O-])CC1 ZINC001136863046 772178207 /nfs/dbraw/zinc/17/82/07/772178207.db2.gz MHXVWPGZXSTWHJ-UHFFFAOYSA-N 0 2 324.384 1.359 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)cn1 ZINC001100748017 776496425 /nfs/dbraw/zinc/49/64/25/776496425.db2.gz MJQYAJJXHZNOCP-NSHDSACASA-N 0 2 318.274 1.796 20 30 DDEDLN CCN(CCNC(=O)[C@H](F)C(F)(F)F)c1ccc(C#N)cn1 ZINC001100748017 776496427 /nfs/dbraw/zinc/49/64/27/776496427.db2.gz MJQYAJJXHZNOCP-NSHDSACASA-N 0 2 318.274 1.796 20 30 DDEDLN C=C(C)CCC(=O)N1CCC2(C[NH+](Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001268044919 839582309 /nfs/dbraw/zinc/58/23/09/839582309.db2.gz NQKCWDXIFQHRBS-UHFFFAOYSA-N 0 2 319.409 1.291 20 30 DDEDLN C[C@@H](CNC(=O)CC(F)(F)F)NC(=O)C(F)C(F)(F)F ZINC001410385799 849179220 /nfs/dbraw/zinc/17/92/20/849179220.db2.gz MRXVEQNNJRWSFR-UJURSFKZSA-N 0 2 312.185 1.460 20 30 DDEDLN C[C@@H](CNC(=O)CC(F)(F)F)NC(=O)[C@@H](F)C(F)(F)F ZINC001410385799 849179222 /nfs/dbraw/zinc/17/92/22/849179222.db2.gz MRXVEQNNJRWSFR-UJURSFKZSA-N 0 2 312.185 1.460 20 30 DDEDLN CC(C)Cn1[nH]c(CC(=O)Nc2cc(C#N)ccc2O)cc1=O ZINC001137934020 859992147 /nfs/dbraw/zinc/99/21/47/859992147.db2.gz DRWWGWBOMBINDW-UHFFFAOYSA-N 0 2 314.345 1.591 20 30 DDEDLN C#CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161189703 866432982 /nfs/dbraw/zinc/43/29/82/866432982.db2.gz XYGFRFMPOGPOLT-OAHLLOKOSA-N 0 2 312.417 1.601 20 30 DDEDLN Cn1c(=O)[nH]c(NCCCOC2CCCCC2)c(C#N)c1=O ZINC001336958903 869235553 /nfs/dbraw/zinc/23/55/53/869235553.db2.gz PJEHEKGWGCJHHY-UHFFFAOYSA-N 0 2 306.366 1.097 20 30 DDEDLN Cc1ccc(CCCNc2[nH]c(=O)n(C)c(=O)c2C#N)c(C)c1 ZINC001336957773 869235844 /nfs/dbraw/zinc/23/58/44/869235844.db2.gz HOWCZFWEIFDIRS-UHFFFAOYSA-N 0 2 312.373 1.607 20 30 DDEDLN N#Cc1cccc(ONC(=O)[C@@H]2C[C@]23C(=O)Nc2ccccc23)c1 ZINC001302374387 871065609 /nfs/dbraw/zinc/06/56/09/871065609.db2.gz XBUITWPIOMEGCN-KBXCAEBGSA-N 0 2 319.320 1.878 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001316792878 872054792 /nfs/dbraw/zinc/05/47/92/872054792.db2.gz UYYIFAVWJCJEIU-MNOVXSKESA-N 0 2 307.398 1.192 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@@H]1C ZINC001316792878 872054811 /nfs/dbraw/zinc/05/48/11/872054811.db2.gz UYYIFAVWJCJEIU-MNOVXSKESA-N 0 2 307.398 1.192 20 30 DDEDLN CC#CCCCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001318479539 872104121 /nfs/dbraw/zinc/10/41/21/872104121.db2.gz RBFGZSBDXUHKQB-CYBMUJFWSA-N 0 2 319.409 1.127 20 30 DDEDLN CC#CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001318479539 872104127 /nfs/dbraw/zinc/10/41/27/872104127.db2.gz RBFGZSBDXUHKQB-CYBMUJFWSA-N 0 2 319.409 1.127 20 30 DDEDLN C=C1O[C@@H](CC)C(=O)C1Oc1cc(=O)[nH]c(N2CCOCC2)n1 ZINC001226729689 882615477 /nfs/dbraw/zinc/61/54/77/882615477.db2.gz ZIXPWSDZVJKHDL-JTQLQIEISA-N 0 2 321.333 1.007 20 30 DDEDLN Cc1cc(C(C#N)C(=O)[C@@H]2CCCN(C3CC3)C2=O)nc(C)n1 ZINC001343496417 872649345 /nfs/dbraw/zinc/64/93/45/872649345.db2.gz ZQNMMEOBXFVXJA-UONOGXRCSA-N 0 2 312.373 1.671 20 30 DDEDLN Cc1cc([C@@H](C#N)C(=O)[C@@H]2CCCN(C3CC3)C2=O)nc(C)n1 ZINC001343496417 872649350 /nfs/dbraw/zinc/64/93/50/872649350.db2.gz ZQNMMEOBXFVXJA-UONOGXRCSA-N 0 2 312.373 1.671 20 30 DDEDLN N#CC(C(=O)c1cn(Cc2ccccn2)nn1)c1cccc(F)n1 ZINC001344006560 872833000 /nfs/dbraw/zinc/83/30/00/872833000.db2.gz VQEXTVHEJMKIEC-LBPRGKRZSA-N 0 2 322.303 1.746 20 30 DDEDLN N#C[C@H](C(=O)c1cn(Cc2ccccn2)nn1)c1cccc(F)n1 ZINC001344006560 872833010 /nfs/dbraw/zinc/83/30/10/872833010.db2.gz VQEXTVHEJMKIEC-LBPRGKRZSA-N 0 2 322.303 1.746 20 30 DDEDLN Cc1cc(C(=O)[C@@H](C#N)c2nc(N)c3ccccc3n2)n(C)n1 ZINC001344555883 873038021 /nfs/dbraw/zinc/03/80/21/873038021.db2.gz DIPKCEAGUCWAGY-LLVKDONJSA-N 0 2 306.329 1.744 20 30 DDEDLN COC(=O)c1cc(-c2nc(-c3cc(C#N)ccc3F)no2)[nH]n1 ZINC001213461180 875943561 /nfs/dbraw/zinc/94/35/61/875943561.db2.gz GPYNCQBAILJKKS-UHFFFAOYSA-N 0 2 313.248 1.924 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N(C)CC(F)(F)F ZINC001356153065 878891758 /nfs/dbraw/zinc/89/17/58/878891758.db2.gz TWJHRROFMHURCP-UHFFFAOYSA-N 0 2 321.694 1.901 20 30 DDEDLN CC[C@H](CNC(=O)C(F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001356895251 879554972 /nfs/dbraw/zinc/55/49/72/879554972.db2.gz WKTOMKNPEGRQMR-MWLCHTKSSA-N 0 2 324.318 1.947 20 30 DDEDLN CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001356895251 879554976 /nfs/dbraw/zinc/55/49/76/879554976.db2.gz WKTOMKNPEGRQMR-MWLCHTKSSA-N 0 2 324.318 1.947 20 30 DDEDLN CC[C@H](CNC(=O)C(F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001356895250 879555040 /nfs/dbraw/zinc/55/50/40/879555040.db2.gz WKTOMKNPEGRQMR-KOLCDFICSA-N 0 2 324.318 1.947 20 30 DDEDLN CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)NC(=O)C#CC(C)(C)C ZINC001356895250 879555041 /nfs/dbraw/zinc/55/50/41/879555041.db2.gz WKTOMKNPEGRQMR-KOLCDFICSA-N 0 2 324.318 1.947 20 30 DDEDLN O=C(C#CC1CC1)NCC1(NC(=O)C(F)C(F)(F)F)CC1 ZINC001358660464 880718532 /nfs/dbraw/zinc/71/85/32/880718532.db2.gz CIWBMXFGWORDEC-JTQLQIEISA-N 0 2 306.259 1.065 20 30 DDEDLN O=C(C#CC1CC1)NCC1(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001358660464 880718541 /nfs/dbraw/zinc/71/85/41/880718541.db2.gz CIWBMXFGWORDEC-JTQLQIEISA-N 0 2 306.259 1.065 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1cccc(F)c1F ZINC001364558473 888919118 /nfs/dbraw/zinc/91/91/18/888919118.db2.gz IEFUZVLRCOVSDD-SSDOTTSWSA-N 0 2 306.272 1.397 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ncc(C#N)nc2C)cc1 ZINC001251886974 894868147 /nfs/dbraw/zinc/86/81/47/894868147.db2.gz CWXRRWSDHMOUKJ-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN COC(=O)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC001258035537 898028712 /nfs/dbraw/zinc/02/87/12/898028712.db2.gz GYYBFDDIRLOSLP-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN C#CCCCC(=O)N[C@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001299530877 898322493 /nfs/dbraw/zinc/32/24/93/898322493.db2.gz JHBPXIUVBITAQZ-WCQYABFASA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)N[C@]1(C)CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001299530877 898322504 /nfs/dbraw/zinc/32/25/04/898322504.db2.gz JHBPXIUVBITAQZ-WCQYABFASA-N 0 2 322.302 1.798 20 30 DDEDLN COc1ccc(CS(=O)(=O)Nc2cnccc2C#N)cc1 ZINC001259892242 898903468 /nfs/dbraw/zinc/90/34/68/898903468.db2.gz NREAOOLUSAUJQJ-UHFFFAOYSA-N 0 2 303.343 1.904 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)CCC1=O ZINC001260351636 899124333 /nfs/dbraw/zinc/12/43/33/899124333.db2.gz LGJVGIVBNVMMAQ-SSDOTTSWSA-N 0 2 318.276 1.207 20 30 DDEDLN C#Cc1cc(NS(=O)(=O)c2cc(F)ccc2OC)ccn1 ZINC001260644155 899197256 /nfs/dbraw/zinc/19/72/56/899197256.db2.gz YPNJFZUGRZINOV-UHFFFAOYSA-N 0 2 306.318 1.433 20 30 DDEDLN CC(C)[C@@H]1C[C@@H](C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CCO1 ZINC001263414113 900605758 /nfs/dbraw/zinc/60/57/58/900605758.db2.gz QSDJLFRLVHYWGA-XQQFMLRXSA-N 0 2 303.362 1.763 20 30 DDEDLN CC(C)(C)C#CC(=O)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001294740286 915334269 /nfs/dbraw/zinc/33/42/69/915334269.db2.gz YJLGGAJLTFNGQB-GXSJLCMTSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)(C)C#CC(=O)N[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001294740286 915334288 /nfs/dbraw/zinc/33/42/88/915334288.db2.gz YJLGGAJLTFNGQB-GXSJLCMTSA-N 0 2 322.302 1.653 20 30 DDEDLN C=CCN1CC[C@H](ONC(=O)C(C)(C)c2ccccc2)C1=O ZINC000283524043 222604831 /nfs/dbraw/zinc/60/48/31/222604831.db2.gz LPMBAIGHQBTFEQ-AWEZNQCLSA-N 0 2 302.374 1.799 20 30 DDEDLN N#Cc1cccnc1N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000278756979 214379544 /nfs/dbraw/zinc/37/95/44/214379544.db2.gz WBPTWKNQVRMCMI-JTQLQIEISA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1cccnc1N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000278756979 214379547 /nfs/dbraw/zinc/37/95/47/214379547.db2.gz WBPTWKNQVRMCMI-JTQLQIEISA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)cc1O ZINC000615431337 362286050 /nfs/dbraw/zinc/28/60/50/362286050.db2.gz KTDYUGKPVRUCMI-UHFFFAOYSA-N 0 2 322.280 1.859 20 30 DDEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Oc1ccc(C#N)cc1 ZINC000277759117 213747717 /nfs/dbraw/zinc/74/77/17/213747717.db2.gz KDSXATZBMBUXII-UHFFFAOYSA-N 0 2 300.236 1.921 20 30 DDEDLN N#CC1(CC(=O)NCc2nnc(COc3ccccc3)[nH]2)CC1 ZINC000590329907 355071722 /nfs/dbraw/zinc/07/17/22/355071722.db2.gz ZWWGVUJBGJZFQK-UHFFFAOYSA-N 0 2 311.345 1.694 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000592797208 355695394 /nfs/dbraw/zinc/69/53/94/355695394.db2.gz XYBXDEBYYPVWBI-SNVBAGLBSA-N 0 2 313.317 1.107 20 30 DDEDLN CC(C)(O)C1CCC(C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1 ZINC000593893984 356045602 /nfs/dbraw/zinc/04/56/02/356045602.db2.gz QHIKXGGTDCVGBG-UHFFFAOYSA-N 0 2 301.350 1.669 20 30 DDEDLN COC(=O)c1cc(C(=O)[C@@H](C#N)c2nc(C)cs2)n(C)n1 ZINC000601729943 358666921 /nfs/dbraw/zinc/66/69/21/358666921.db2.gz QYRVHKIBRXMKLR-MRVPVSSYSA-N 0 2 304.331 1.462 20 30 DDEDLN COC(=O)c1cc(C(=O)C(C#N)c2nc(C)cs2)n(C)n1 ZINC000601729943 358666924 /nfs/dbraw/zinc/66/69/24/358666924.db2.gz QYRVHKIBRXMKLR-MRVPVSSYSA-N 0 2 304.331 1.462 20 30 DDEDLN N#CCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000339926503 223274055 /nfs/dbraw/zinc/27/40/55/223274055.db2.gz OUKFLWRTTAUZIA-UHFFFAOYSA-N 0 2 321.383 1.802 20 30 DDEDLN N#Cc1ccc(Cl)c(NC(=O)C(=O)NC2(CO)CCC2)c1 ZINC000194619908 201263765 /nfs/dbraw/zinc/26/37/65/201263765.db2.gz FKNUJMVROCDLFL-UHFFFAOYSA-N 0 2 307.737 1.181 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCOC(C)(C)C2)cc1C#N ZINC000073945579 406897092 /nfs/dbraw/zinc/89/70/92/406897092.db2.gz PXWYINAILSOFCY-UHFFFAOYSA-N 0 2 307.375 1.632 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccn(-c3ccccc3F)n2)[nH]c1C#N ZINC000073920008 406897376 /nfs/dbraw/zinc/89/73/76/406897376.db2.gz RCCDTRGRIHAQPR-UHFFFAOYSA-N 0 2 321.275 1.730 20 30 DDEDLN CCC(CC)N1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1=O ZINC000171774840 407765254 /nfs/dbraw/zinc/76/52/54/407765254.db2.gz AJKXMRDXGWGQTE-VIFPVBQESA-N 0 2 314.349 1.129 20 30 DDEDLN CCn1ncc(C#N)c1NS(=O)(=O)c1ccc(C(C)=O)cc1 ZINC000187762543 407891342 /nfs/dbraw/zinc/89/13/42/407891342.db2.gz GUCMVGZDQRBHNK-UHFFFAOYSA-N 0 2 318.358 1.778 20 30 DDEDLN N#CCSCC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000274619000 408471944 /nfs/dbraw/zinc/47/19/44/408471944.db2.gz ZBGSNPOZIPOCDZ-UHFFFAOYSA-N 0 2 317.374 1.257 20 30 DDEDLN CCc1ncc(NS(=O)(=O)c2ccc(C#N)cc2OC)cn1 ZINC000184870289 408706296 /nfs/dbraw/zinc/70/62/96/408706296.db2.gz CMQCWDJJNGJIDY-UHFFFAOYSA-N 0 2 318.358 1.720 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000320157136 164040197 /nfs/dbraw/zinc/04/01/97/164040197.db2.gz MNBLVAIPJXEGGU-UHFFFAOYSA-N 0 2 322.277 1.801 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)c1 ZINC000357358029 409989361 /nfs/dbraw/zinc/98/93/61/409989361.db2.gz NXIDFBUXSDIIIV-UHFFFAOYSA-N 0 2 315.314 1.336 20 30 DDEDLN CC#CCN(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000298247922 410152229 /nfs/dbraw/zinc/15/22/29/410152229.db2.gz JSWIILADDJGTAK-UHFFFAOYSA-N 0 2 313.361 1.548 20 30 DDEDLN Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C2 ZINC000329547960 410353922 /nfs/dbraw/zinc/35/39/22/410353922.db2.gz DTMQQKXFWZYPGV-NFAWXSAZSA-N 0 2 320.437 1.820 20 30 DDEDLN CC[N@@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000330194165 410581178 /nfs/dbraw/zinc/58/11/78/410581178.db2.gz OOUSLZNTSNBQRK-MELADBBJSA-N 0 2 305.426 1.526 20 30 DDEDLN CC[N@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000330194165 410581183 /nfs/dbraw/zinc/58/11/83/410581183.db2.gz OOUSLZNTSNBQRK-MELADBBJSA-N 0 2 305.426 1.526 20 30 DDEDLN Cc1cc(=NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)[nH]nc1C ZINC000355496253 410546778 /nfs/dbraw/zinc/54/67/78/410546778.db2.gz BDBOHKZUESOJEG-MRXNPFEDSA-N 0 2 318.377 2.294 20 30 DDEDLN CCOC(=O)C[C@@H](C)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000352568903 410665598 /nfs/dbraw/zinc/66/55/98/410665598.db2.gz HRQAPNQCMPIHPL-MRVPVSSYSA-N 0 2 323.374 1.452 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2cc(C)no2)cc1C#N ZINC000352608630 410671392 /nfs/dbraw/zinc/67/13/92/410671392.db2.gz NYXMQNCKJHYKOL-UHFFFAOYSA-N 0 2 304.331 1.607 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000359721259 410834183 /nfs/dbraw/zinc/83/41/83/410834183.db2.gz XVZSEXQLSBCTIU-UHFFFAOYSA-N 0 2 309.285 2.258 20 30 DDEDLN Cn1cc(C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)c(-c2ccoc2)n1 ZINC000359718967 410835304 /nfs/dbraw/zinc/83/53/04/410835304.db2.gz SDDQFRJOPZYVNF-UHFFFAOYSA-N 0 2 322.328 2.405 20 30 DDEDLN C=CCn1c(=[NH2+])[n-]nc1SCCc1ccc2c(c1)OCCO2 ZINC000359774058 410869218 /nfs/dbraw/zinc/86/92/18/410869218.db2.gz SDWOREYOQTUHQH-UHFFFAOYSA-N 0 2 318.402 2.152 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1ccccc1N1CCCC1=O ZINC000360191275 411097225 /nfs/dbraw/zinc/09/72/25/411097225.db2.gz YXTBKZMIIWCYFS-LLVKDONJSA-N 0 2 307.375 1.857 20 30 DDEDLN CCOc1cccc(S(=O)(=O)Nc2ccc(C#N)cn2)c1 ZINC000337141830 418618782 /nfs/dbraw/zinc/61/87/82/418618782.db2.gz SQVLZWOSZJCDEA-UHFFFAOYSA-N 0 2 303.343 2.153 20 30 DDEDLN Cc1ccc(N2CCC(=C([O-])[NH+]=C3C[C@H](C)ON3)C2=O)cc1C ZINC000371274372 418773490 /nfs/dbraw/zinc/77/34/90/418773490.db2.gz DYEMGEUGLWJZIV-GXTWGEPZSA-N 0 2 315.373 1.895 20 30 DDEDLN COc1ccnc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000427776268 419734186 /nfs/dbraw/zinc/73/41/86/419734186.db2.gz WLPHRYMHVYEBCU-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)NC(=O)/C=C\C2CCCC2)cn1 ZINC000493769708 420936511 /nfs/dbraw/zinc/93/65/11/420936511.db2.gz HDWQWNREKIKXLF-YVMONPNESA-N 0 2 305.359 1.505 20 30 DDEDLN N#CC(C(=O)NC1CCCC1)=C([O-])c1[nH+]cc2c(F)cccn21 ZINC000528924710 421525418 /nfs/dbraw/zinc/52/54/18/421525418.db2.gz RMCGHPAKBWJPRH-NSHDSACASA-N 0 2 314.320 1.855 20 30 DDEDLN C=CC[C@@H]1CCN(C(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)C1 ZINC000628485020 422195499 /nfs/dbraw/zinc/19/54/99/422195499.db2.gz ALKDHWMVEHFNAA-SECBINFHSA-N 0 2 300.318 1.474 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2C[C@H](C)O)cc1C#N ZINC000344650969 272080036 /nfs/dbraw/zinc/08/00/36/272080036.db2.gz BKCJUWUYEKAEFB-ONGXEEELSA-N 0 2 321.402 1.756 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCCC(C)(C)CO)cc1C#N ZINC000130355207 281377872 /nfs/dbraw/zinc/37/78/72/281377872.db2.gz VCXXKHAIGYFGLT-UHFFFAOYSA-N 0 2 323.418 1.497 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cccc(O)c2)c([N+](=O)[O-])c1 ZINC000134610755 281550500 /nfs/dbraw/zinc/55/05/00/281550500.db2.gz JFHUTUMRTUASHH-UHFFFAOYSA-N 0 2 319.298 1.973 20 30 DDEDLN Cc1cc(N=C([O-])[C@H]2COCC[N@@H+]2C2CCCC2)cn(C)c1=O ZINC000329554186 301345186 /nfs/dbraw/zinc/34/51/86/301345186.db2.gz PXUKHHSZGCRBKH-OAHLLOKOSA-N 0 2 319.405 1.925 20 30 DDEDLN Cc1cc(N=C([O-])[C@H]2COCC[N@H+]2C2CCCC2)cn(C)c1=O ZINC000329554186 301345190 /nfs/dbraw/zinc/34/51/90/301345190.db2.gz PXUKHHSZGCRBKH-OAHLLOKOSA-N 0 2 319.405 1.925 20 30 DDEDLN O=C(N[C@H]1CCS(=O)(=O)C1)c1cc(F)c(F)c(O)c1F ZINC000330773395 334809342 /nfs/dbraw/zinc/80/93/42/334809342.db2.gz QHBMKZSAOYXREN-YFKPBYRVSA-N 0 2 309.265 1.301 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N(C)CC(C)(C)C#N)c1 ZINC000424854414 533804542 /nfs/dbraw/zinc/80/45/42/533804542.db2.gz WRCNXZYKDRIRFY-NRFANRHFSA-N 0 2 308.403 1.811 20 30 DDEDLN Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000818809138 597477546 /nfs/dbraw/zinc/47/75/46/597477546.db2.gz MQXVCWTWDRXDAX-CQSZACIVSA-N 0 2 317.389 1.955 20 30 DDEDLN Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C(=O)[O-])c1 ZINC000818809138 597477548 /nfs/dbraw/zinc/47/75/48/597477548.db2.gz MQXVCWTWDRXDAX-CQSZACIVSA-N 0 2 317.389 1.955 20 30 DDEDLN CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000736348983 599758781 /nfs/dbraw/zinc/75/87/81/599758781.db2.gz FDLWMBALQXIWBM-ZBFHGGJFSA-N 0 2 303.362 1.456 20 30 DDEDLN N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000320691479 599759795 /nfs/dbraw/zinc/75/97/95/599759795.db2.gz WLQOOQWFHTXDCG-OAHLLOKOSA-N 0 2 314.345 1.058 20 30 DDEDLN CCN(CCC#N)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000737094423 599861407 /nfs/dbraw/zinc/86/14/07/599861407.db2.gz QMXKHAQVFYZCSO-OAHLLOKOSA-N 0 2 319.361 1.173 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@](F)(C(=O)[O-])C3)C2=O)cc1 ZINC000833073744 601550727 /nfs/dbraw/zinc/55/07/27/601550727.db2.gz XWGSAVMNAWDCAR-CZUORRHYSA-N 0 2 317.320 1.162 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@](F)(C(=O)[O-])C3)C2=O)cc1 ZINC000833073744 601550730 /nfs/dbraw/zinc/55/07/30/601550730.db2.gz XWGSAVMNAWDCAR-CZUORRHYSA-N 0 2 317.320 1.162 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2NC[C@H]1CCCN1C(=O)[O-] ZINC000740308804 602591207 /nfs/dbraw/zinc/59/12/07/602591207.db2.gz PSGHQJDMMOEXRM-SNVBAGLBSA-N 0 2 315.337 1.294 20 30 DDEDLN CN(C(=O)[O-])C1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000737941061 602783518 /nfs/dbraw/zinc/78/35/18/602783518.db2.gz XUQDBMIFMKFIMO-CQSZACIVSA-N 0 2 316.361 1.159 20 30 DDEDLN C=CCOc1ccccc1C[NH2+]Cc1cn(CC(=O)[O-])nn1 ZINC000833379045 604991551 /nfs/dbraw/zinc/99/15/51/604991551.db2.gz WMESIAXXTJLLTM-UHFFFAOYSA-N 0 2 302.334 1.217 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2NC[C@H]1CCN(C(=O)[O-])C1 ZINC000833965750 605378865 /nfs/dbraw/zinc/37/88/65/605378865.db2.gz RDKMKUDPKXNMCA-SNVBAGLBSA-N 0 2 315.337 1.152 20 30 DDEDLN C[C@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000833830104 605892708 /nfs/dbraw/zinc/89/27/08/605892708.db2.gz JSINXQSZHPEPOV-VHSXEESVSA-N 0 2 322.390 1.536 20 30 DDEDLN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000833830104 605892710 /nfs/dbraw/zinc/89/27/10/605892710.db2.gz JSINXQSZHPEPOV-VHSXEESVSA-N 0 2 322.390 1.536 20 30 DDEDLN COc1cccc(OCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c1 ZINC000122794267 696724920 /nfs/dbraw/zinc/72/49/20/696724920.db2.gz LQUATLHRJGSMDT-ZDUSSCGKSA-N 0 2 313.313 1.399 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CN1CCc2ccccc21 ZINC000772681285 697660314 /nfs/dbraw/zinc/66/03/14/697660314.db2.gz QHUNJCKWFXNNFU-ZDUSSCGKSA-N 0 2 308.341 1.374 20 30 DDEDLN C[C@@H](Oc1ccc(C#N)cc1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770866566 701298274 /nfs/dbraw/zinc/29/82/74/701298274.db2.gz UBJSGHDTZJHLCU-RISCZKNCSA-N 0 2 322.324 1.651 20 30 DDEDLN C=C[C@H](C)ONC(=O)c1cccc(C(=O)NO[C@@H](C)C=C)c1O ZINC000846554523 703296231 /nfs/dbraw/zinc/29/62/31/703296231.db2.gz KEWBAPQBUHWDEY-QWRGUYRKSA-N 0 2 320.345 1.864 20 30 DDEDLN O=C([O-])CCOc1cccc(C=NNCCCn2cc[nH+]c2)c1 ZINC000848418771 703548453 /nfs/dbraw/zinc/54/84/53/703548453.db2.gz SWGPQWPCFIYEAG-UHFFFAOYSA-N 0 2 316.361 1.750 20 30 DDEDLN C[C@@H]1C[N@H+](CC/N=C\c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)CO1 ZINC000849169310 703623109 /nfs/dbraw/zinc/62/31/09/703623109.db2.gz AVDJZJFJGCRTMQ-GAAFXGMGSA-N 0 2 307.350 1.829 20 30 DDEDLN C[C@@H]1C[N@@H+](CC/N=C\c2cc([N+](=O)[O-])ccc2[O-])[C@H](C)CO1 ZINC000849169310 703623110 /nfs/dbraw/zinc/62/31/10/703623110.db2.gz AVDJZJFJGCRTMQ-GAAFXGMGSA-N 0 2 307.350 1.829 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC000850795536 703753515 /nfs/dbraw/zinc/75/35/15/703753515.db2.gz XACDEZKMLHCYDW-WYOJIJJFSA-N 0 2 306.343 1.388 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC000850795536 703753517 /nfs/dbraw/zinc/75/35/17/703753517.db2.gz XACDEZKMLHCYDW-WYOJIJJFSA-N 0 2 306.343 1.388 20 30 DDEDLN O=C(CC1S/C(=N/CCC2CC2)NC1=O)Nc1cnccn1 ZINC000864344830 706143178 /nfs/dbraw/zinc/14/31/78/706143178.db2.gz HTAJTWGSDSIBCL-SNVBAGLBSA-N 0 2 319.390 1.193 20 30 DDEDLN CC(C)[C@H](CO)ONC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000836893574 707541110 /nfs/dbraw/zinc/54/11/10/707541110.db2.gz LBWSWLAEZLGDJJ-AWEZNQCLSA-N 0 2 306.337 1.794 20 30 DDEDLN O=C(CC1S/C(=N/CC2CC2)NC1=O)Nc1cccc(O)c1 ZINC000887268024 709002293 /nfs/dbraw/zinc/00/22/93/709002293.db2.gz AGGRQKUWCONJHN-LBPRGKRZSA-N 0 2 319.386 1.718 20 30 DDEDLN C=CCCC[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C(=O)[O-] ZINC000910924489 710120526 /nfs/dbraw/zinc/12/05/26/710120526.db2.gz CAATVRGJLMLHIH-CYBMUJFWSA-N 0 2 305.378 1.688 20 30 DDEDLN N#Cc1c(O[C@H]2C[NH2+]CC2(F)F)[n-]c(=O)cc1C(F)(F)F ZINC001218230521 736263560 /nfs/dbraw/zinc/26/35/60/736263560.db2.gz AAZOIOCXWRXTJD-ZETCQYMHSA-N 0 2 309.194 1.664 20 30 DDEDLN Cc1cc(N(C)CCNC(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001100367102 739151961 /nfs/dbraw/zinc/15/19/61/739151961.db2.gz SEVIBKYJUYXQEZ-LLVKDONJSA-N 0 2 318.274 1.715 20 30 DDEDLN Cc1cc(N(C)CCNC(=O)[C@@H](F)C(F)(F)F)c(C#N)cn1 ZINC001100367102 739151967 /nfs/dbraw/zinc/15/19/67/739151967.db2.gz SEVIBKYJUYXQEZ-LLVKDONJSA-N 0 2 318.274 1.715 20 30 DDEDLN C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCc3[nH+]c[nH]c32)[C@H]1C ZINC001088849328 744208720 /nfs/dbraw/zinc/20/87/20/744208720.db2.gz NBIHSLHNBVXDAU-RDBSUJKOSA-N 0 2 302.422 1.985 20 30 DDEDLN COc1ccc(C(=NC(=O)c2ccc(O)cc2F)NO)nc1 ZINC001186339546 744389314 /nfs/dbraw/zinc/38/93/14/744389314.db2.gz JZWCRIRZDYRIRE-UHFFFAOYSA-N 0 2 305.265 1.501 20 30 DDEDLN N#Cc1ccc(C(=O)NCc2n[nH]c(=O)[nH]2)c(C(F)(F)F)c1 ZINC001192111224 745692831 /nfs/dbraw/zinc/69/28/31/745692831.db2.gz SKBXYZVDOSZNIF-UHFFFAOYSA-N 0 2 311.223 1.331 20 30 DDEDLN CCc1ccc(OC)c(S(=O)(=O)Nc2ccnc(C#N)c2)c1 ZINC001192765852 745883702 /nfs/dbraw/zinc/88/37/02/745883702.db2.gz JCWSRWUSQZYISH-UHFFFAOYSA-N 0 2 317.370 1.747 20 30 DDEDLN COC(=O)c1cccc2c(NS(=O)(=O)[C@@H](C)C#N)ccnc12 ZINC001193112444 745982340 /nfs/dbraw/zinc/98/23/40/745982340.db2.gz TZBDSPUQDXEYGY-VIFPVBQESA-N 0 2 319.342 1.675 20 30 DDEDLN N#CNC(=NC(=O)c1ccc(O)c(O)c1Cl)c1ccncc1 ZINC001193236571 746026680 /nfs/dbraw/zinc/02/66/80/746026680.db2.gz IDRBFRBKQNJKNQ-UHFFFAOYSA-N 0 2 316.704 1.804 20 30 DDEDLN C=C[C@H](C)[C@H](C)C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC001196853063 746990882 /nfs/dbraw/zinc/99/08/82/746990882.db2.gz GFGBRKZELHXDPT-RYUDHWBXSA-N 0 2 307.398 1.003 20 30 DDEDLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1[O-] ZINC001010619905 754058073 /nfs/dbraw/zinc/05/80/73/754058073.db2.gz KDIHOIAZHAPMAC-HNNXBMFYSA-N 0 2 324.384 1.280 20 30 DDEDLN Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1[O-] ZINC001010619905 754058077 /nfs/dbraw/zinc/05/80/77/754058077.db2.gz KDIHOIAZHAPMAC-HNNXBMFYSA-N 0 2 324.384 1.280 20 30 DDEDLN CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001080346059 755860791 /nfs/dbraw/zinc/86/07/91/755860791.db2.gz KUUQBHFRGHNGIH-UKRRQHHQSA-N 0 2 303.406 1.415 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)C(F)C(F)(F)F)C2)nc1 ZINC001097258653 757026271 /nfs/dbraw/zinc/02/62/71/757026271.db2.gz WLKWFKWWOFHAGI-WCABBAIRSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2)nc1 ZINC001097258653 757026277 /nfs/dbraw/zinc/02/62/77/757026277.db2.gz WLKWFKWWOFHAGI-WCABBAIRSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1cc(C(=O)N[C@@H](Cc2ccccc2)c2n[nH]c(=O)[nH]2)c[nH]1 ZINC001171139397 772403491 /nfs/dbraw/zinc/40/34/91/772403491.db2.gz MBNBPDRRDOGNDJ-ZDUSSCGKSA-N 0 2 322.328 1.424 20 30 DDEDLN CCOC(=O)[C@H]1COCCN1C(=O)[C@H](C#N)Cc1cccs1 ZINC001177912259 778781140 /nfs/dbraw/zinc/78/11/40/778781140.db2.gz NFBKYLGQSGLMLZ-WCQYABFASA-N 0 2 322.386 1.221 20 30 DDEDLN COC(=O)[C@H](NC(=O)[C@H](C#N)Cc1cccs1)C(F)(F)F ZINC001177915491 778783111 /nfs/dbraw/zinc/78/31/11/778783111.db2.gz NSUBOBLJTHVNQU-CBAPKCEASA-N 0 2 320.292 1.650 20 30 DDEDLN C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001025460713 838464659 /nfs/dbraw/zinc/46/46/59/838464659.db2.gz LJQRDOXERBTPHC-UONOGXRCSA-N 0 2 318.421 1.200 20 30 DDEDLN COc1nn(C)cc1C(=O)[C@@H](C#N)c1nc2ccccc2n1C ZINC001122394567 858791716 /nfs/dbraw/zinc/79/17/16/858791716.db2.gz GBVQUZVQDRWYAW-SNVBAGLBSA-N 0 2 309.329 1.805 20 30 DDEDLN C=C(C)CCC(=O)N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC001123390038 859212693 /nfs/dbraw/zinc/21/26/93/859212693.db2.gz VIORRTQINSWJQE-UHFFFAOYSA-N 0 2 303.362 1.785 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC001361701577 882190111 /nfs/dbraw/zinc/19/01/11/882190111.db2.gz KTLVVUWPPRUSMM-UHFFFAOYSA-N 0 2 311.345 1.641 20 30 DDEDLN N#Cc1nc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[n-]c1C#N ZINC001163737607 868668352 /nfs/dbraw/zinc/66/83/52/868668352.db2.gz LZOZWBVPTSTLFW-UHFFFAOYSA-N 0 2 317.312 1.520 20 30 DDEDLN CCOC(=O)N1CCC[C@@H](Oc2[nH]c(=O)cc(C)c2C#N)C1 ZINC001226221640 882288180 /nfs/dbraw/zinc/28/81/80/882288180.db2.gz ORAKKEWLIRDPCX-LLVKDONJSA-N 0 2 305.334 1.967 20 30 DDEDLN CCOC(=O)C1=C(O)CCN(Cc2cccc(C#N)c2)CC1 ZINC001203760816 870743436 /nfs/dbraw/zinc/74/34/36/870743436.db2.gz ORDJNOYPROJDQZ-HNNXBMFYSA-N 0 2 300.358 1.902 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CC12CCSCC2 ZINC001343619904 872688860 /nfs/dbraw/zinc/68/88/60/872688860.db2.gz XWSDLATZITXVRR-WDEREUQCSA-N 0 2 303.387 1.845 20 30 DDEDLN Cn1ccnc1[C@@H](C#N)C(=O)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC001346537834 873794737 /nfs/dbraw/zinc/79/47/37/873794737.db2.gz QKBCZPWANYHSTP-NWDGAFQWSA-N 0 2 303.362 1.964 20 30 DDEDLN N#Cc1nc(N)c(Nc2cnc(Br)s2)nc1C#N ZINC001216263691 876906176 /nfs/dbraw/zinc/90/61/76/876906176.db2.gz JMPOVJCDUXERKO-UHFFFAOYSA-N 0 2 322.151 1.765 20 30 DDEDLN COc1ccc(OC)c(/C(=N/O)O[C@@H]2CCS(=O)(=O)C2)c1 ZINC001223893063 881134986 /nfs/dbraw/zinc/13/49/86/881134986.db2.gz QBYYJMYNRAQEPM-YAWLZAOSSA-N 0 2 315.347 1.043 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC001362510322 883972711 /nfs/dbraw/zinc/97/27/11/883972711.db2.gz WAJITXVLNUPYAK-UHFFFAOYSA-N 0 2 308.297 1.463 20 30 DDEDLN CCCC[C@@H](CNC(=O)c1[nH]ncc1F)NC(=O)[C@@H](C)C#N ZINC001383225643 885437268 /nfs/dbraw/zinc/43/72/68/885437268.db2.gz DQYZQPAREAKNPB-UWVGGRQHSA-N 0 2 309.345 1.113 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC001363463268 886409227 /nfs/dbraw/zinc/40/92/27/886409227.db2.gz ZSCVFIIUDPMTPJ-LLVKDONJSA-N 0 2 313.317 1.794 20 30 DDEDLN CN(C)c1ccc(S(=O)(=O)Nc2cccc(CC#N)n2)cn1 ZINC001364201720 888136135 /nfs/dbraw/zinc/13/61/35/888136135.db2.gz SNOLSVSWJPYPFF-UHFFFAOYSA-N 0 2 317.374 1.409 20 30 DDEDLN C[C@H](C(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1)C(F)(F)F ZINC001374664670 913534318 /nfs/dbraw/zinc/53/43/18/913534318.db2.gz FWSRMOULZDIEGI-INEUFUBQSA-N 0 2 324.196 1.412 20 30 DDEDLN C[C@H](C(=O)N1CC(NC(=O)[C@@H](F)C(F)(F)F)C1)C(F)(F)F ZINC001374664670 913534335 /nfs/dbraw/zinc/53/43/35/913534335.db2.gz FWSRMOULZDIEGI-INEUFUBQSA-N 0 2 324.196 1.412 20 30 DDEDLN C[C@@H](C(=O)NC1CN(C(=O)C(F)C(F)(F)F)C1)C(F)(F)F ZINC001387787842 893860769 /nfs/dbraw/zinc/86/07/69/893860769.db2.gz AVIYZCFWKMZQRM-UJURSFKZSA-N 0 2 324.196 1.412 20 30 DDEDLN C[C@@H](C(=O)NC1CN(C(=O)[C@@H](F)C(F)(F)F)C1)C(F)(F)F ZINC001387787842 893860779 /nfs/dbraw/zinc/86/07/79/893860779.db2.gz AVIYZCFWKMZQRM-UJURSFKZSA-N 0 2 324.196 1.412 20 30 DDEDLN Cn1cnc2cc(NS(=O)(=O)c3ccccc3C#N)cnc21 ZINC001258201884 898103112 /nfs/dbraw/zinc/10/31/12/898103112.db2.gz POQWTWSGKZTKRY-UHFFFAOYSA-N 0 2 313.342 1.641 20 30 DDEDLN C#CCCCC(=O)N[C@@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001299530875 898318761 /nfs/dbraw/zinc/31/87/61/898318761.db2.gz JHBPXIUVBITAQZ-AAEUAGOBSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)N[C@@]1(C)CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001299530875 898318770 /nfs/dbraw/zinc/31/87/70/898318770.db2.gz JHBPXIUVBITAQZ-AAEUAGOBSA-N 0 2 322.302 1.798 20 30 DDEDLN Cn1ncc(NS(=O)(=O)c2ccc3c(c2)CCO3)c1C#N ZINC001259350923 898621105 /nfs/dbraw/zinc/62/11/05/898621105.db2.gz OCKHTQAPNHLKAB-UHFFFAOYSA-N 0 2 304.331 1.027 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2ccc(Cl)cc2F)cn1 ZINC001259506462 898707861 /nfs/dbraw/zinc/70/78/61/898707861.db2.gz QEDTYTLOMAUZKO-UHFFFAOYSA-N 0 2 312.713 1.942 20 30 DDEDLN N#Cc1cnn2c1ncc(C#N)c2NS(=O)(=O)C1CCCC1 ZINC001259793551 898806307 /nfs/dbraw/zinc/80/63/07/898806307.db2.gz CZECWJHJAILCMZ-UHFFFAOYSA-N 0 2 316.346 1.157 20 30 DDEDLN CCn1cc(S(=O)(=O)Nc2ccc(C#N)c(OC)c2)cn1 ZINC001259838250 898851817 /nfs/dbraw/zinc/85/18/17/898851817.db2.gz ZIFJYCWTELNYJW-UHFFFAOYSA-N 0 2 306.347 1.584 20 30 DDEDLN C=CCCCC(=O)NCC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001284990139 909898620 /nfs/dbraw/zinc/89/86/20/909898620.db2.gz SJSUSURCADOMTN-LLVKDONJSA-N 0 2 310.291 1.818 20 30 DDEDLN C=CCCCC(=O)NCC1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001284990139 909898623 /nfs/dbraw/zinc/89/86/23/909898623.db2.gz SJSUSURCADOMTN-LLVKDONJSA-N 0 2 310.291 1.818 20 30 DDEDLN C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000163273201 539224027 /nfs/dbraw/zinc/22/40/27/539224027.db2.gz PEALXRKXVLRXPN-CQSZACIVSA-N 0 2 316.449 1.980 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2C(C)=O)cc1C#N ZINC000615524506 362319746 /nfs/dbraw/zinc/31/97/46/362319746.db2.gz IYRUQMICDUHCIK-GFCCVEGCSA-N 0 2 319.386 1.964 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)[nH]c1C#N ZINC000053799875 352667416 /nfs/dbraw/zinc/66/74/16/352667416.db2.gz MDHJKNXTGIUQEE-UHFFFAOYSA-N 0 2 321.256 1.795 20 30 DDEDLN N#Cc1ccc(N2CCN(c3cc[nH+]c(C(=O)[O-])c3)CC2)nc1 ZINC000593320196 355853737 /nfs/dbraw/zinc/85/37/37/355853737.db2.gz AIBTVSSFTHQPRP-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN C[NH+](C)C[C@@](C)(C#N)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602334402 358935619 /nfs/dbraw/zinc/93/56/19/358935619.db2.gz RFWZNAJCPJDGRT-SJLPKXTDSA-N 0 2 314.433 1.469 20 30 DDEDLN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccccc1CC#N ZINC000337866867 223251443 /nfs/dbraw/zinc/25/14/43/223251443.db2.gz ONPFGEACSQIPFR-UHFFFAOYSA-N 0 2 310.766 1.940 20 30 DDEDLN CCc1ncc(NS(=O)(=O)c2cccc(CC#N)c2)cn1 ZINC000619463576 364023862 /nfs/dbraw/zinc/02/38/62/364023862.db2.gz WRWGLWLGUGKQJT-UHFFFAOYSA-N 0 2 302.359 1.906 20 30 DDEDLN C=CCCC(C)(C)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000620861217 364576058 /nfs/dbraw/zinc/57/60/58/364576058.db2.gz HMBAITFDFJBINM-UHFFFAOYSA-N 0 2 302.334 1.911 20 30 DDEDLN Cc1n[nH]c(CCNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)n1 ZINC000349751466 223396081 /nfs/dbraw/zinc/39/60/81/223396081.db2.gz VCUKLAZRGNLHIS-CQSZACIVSA-N 0 2 308.345 1.026 20 30 DDEDLN COC(=O)c1c(C)[nH]c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1C ZINC000026275135 248185487 /nfs/dbraw/zinc/18/54/87/248185487.db2.gz YJKIAXUPBWEUIP-UHFFFAOYSA-N 0 2 312.289 1.137 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCC[C@@H](C)CO)cc1C#N ZINC000340731110 251181583 /nfs/dbraw/zinc/18/15/83/251181583.db2.gz AMAUCCHLXROPKS-SECBINFHSA-N 0 2 309.391 1.519 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](CO)C(C)(C)C)cc1C#N ZINC000444367296 533078399 /nfs/dbraw/zinc/07/83/99/533078399.db2.gz SXEFARWGMGXQSX-SNVBAGLBSA-N 0 2 309.391 1.518 20 30 DDEDLN N#Cc1csc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 ZINC000084382457 407088232 /nfs/dbraw/zinc/08/82/32/407088232.db2.gz JUVGZCPLVVTFIM-UHFFFAOYSA-N 0 2 318.358 1.519 20 30 DDEDLN C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000066914541 407262997 /nfs/dbraw/zinc/26/29/97/407262997.db2.gz SRRTWBZRGYEFHZ-UWVGGRQHSA-N 0 2 303.322 1.066 20 30 DDEDLN COc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)ccc1[N+](=O)[O-] ZINC000101638785 407313999 /nfs/dbraw/zinc/31/39/99/407313999.db2.gz QJWLEFDNJNWSBN-UHFFFAOYSA-N 0 2 312.245 1.322 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1noc(C2CC2)n1 ZINC000185692044 407478336 /nfs/dbraw/zinc/47/83/36/407478336.db2.gz XSAPTIUPAXWDOI-UHFFFAOYSA-N 0 2 320.330 1.628 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](C#N)C3CC3)=N2)cc1 ZINC000181059525 407953264 /nfs/dbraw/zinc/95/32/64/407953264.db2.gz RPORNZNNMWZRMY-CYBMUJFWSA-N 0 2 312.329 1.618 20 30 DDEDLN COCCn1cc(NS(=O)(=O)c2cccc(C)c2C#N)cn1 ZINC000137277021 408149477 /nfs/dbraw/zinc/14/94/77/408149477.db2.gz BBRHEVSRSZOGSK-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN N#Cc1ccc(C(=O)NCC(=O)NOCCC(F)(F)F)cc1 ZINC000162655038 408723950 /nfs/dbraw/zinc/72/39/50/408723950.db2.gz DUSWJPQFLGQUPW-UHFFFAOYSA-N 0 2 315.251 1.288 20 30 DDEDLN C#C[C@@H](NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1)C(C)C ZINC000281263651 408877735 /nfs/dbraw/zinc/87/77/35/408877735.db2.gz DIHFVNYBFUFLAE-SECBINFHSA-N 0 2 300.318 1.132 20 30 DDEDLN N#Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(=O)[nH]1 ZINC000187636546 163024546 /nfs/dbraw/zinc/02/45/46/163024546.db2.gz DYZIETSTZWFYQW-UHFFFAOYSA-N 0 2 309.738 1.766 20 30 DDEDLN Cc1cc(O)c(C(=O)C=Cc2cnn(CC(F)F)c2)c(=O)o1 ZINC000292377772 409027726 /nfs/dbraw/zinc/02/77/26/409027726.db2.gz UBDGZQVEPVJDFV-YWVDXFKGSA-N 0 2 310.256 1.376 20 30 DDEDLN N#CCN1CCC[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000354085034 409640220 /nfs/dbraw/zinc/64/02/20/409640220.db2.gz GKWNSCNOXLXYLS-NSHDSACASA-N 0 2 318.333 1.266 20 30 DDEDLN CC[C@@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C(=O)OC ZINC000349760539 409909690 /nfs/dbraw/zinc/90/96/90/409909690.db2.gz YBTPBUHPVIEOEN-SECBINFHSA-N 0 2 309.347 1.062 20 30 DDEDLN CCOC(=O)c1cnc(C)c(C(=O)[C@H](C#N)c2ccncn2)c1 ZINC000354480498 409884273 /nfs/dbraw/zinc/88/42/73/409884273.db2.gz XCKZEQOSQUUKBE-CYBMUJFWSA-N 0 2 310.313 1.847 20 30 DDEDLN CCOC(=O)c1cnc(C)c(C(=O)C(C#N)c2ccncn2)c1 ZINC000354480498 409884278 /nfs/dbraw/zinc/88/42/78/409884278.db2.gz XCKZEQOSQUUKBE-CYBMUJFWSA-N 0 2 310.313 1.847 20 30 DDEDLN C=C[C@@H](CO)NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000350503783 409951898 /nfs/dbraw/zinc/95/18/98/409951898.db2.gz ADVPQVUHBNNOTI-QMMMGPOBSA-N 0 2 324.793 1.949 20 30 DDEDLN COc1ccc(F)c(C(=O)N=c2[nH][nH]c(C)c2C#N)c1OC ZINC000357223955 409949162 /nfs/dbraw/zinc/94/91/62/409949162.db2.gz BCKJSIUTAQXGQO-UHFFFAOYSA-N 0 2 304.281 1.998 20 30 DDEDLN C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000328862087 409994275 /nfs/dbraw/zinc/99/42/75/409994275.db2.gz LZBKDTBAAOECNN-IPYPFGDCSA-N 0 2 317.437 1.606 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@]2(C)CCOC2)cc1C#N ZINC000354923735 410177220 /nfs/dbraw/zinc/17/72/20/410177220.db2.gz VXTQGHVAPHDRRW-CQSZACIVSA-N 0 2 307.375 1.537 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCO[C@H](C)C2)cc1C#N ZINC000355390967 410488785 /nfs/dbraw/zinc/48/87/85/410488785.db2.gz HBJUPUCUGZXMPC-PSASIEDQSA-N 0 2 307.375 1.678 20 30 DDEDLN CC(=O)c1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cc1 ZINC000352884283 410685414 /nfs/dbraw/zinc/68/54/14/410685414.db2.gz RRRLEJINQGIWFU-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN C[C@H](Sc1n[nH]c(=O)[nH]1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000194619231 222180886 /nfs/dbraw/zinc/18/08/86/222180886.db2.gz MEHJVRHOYIRPIJ-XIRUVYRFSA-N 0 2 323.422 1.922 20 30 DDEDLN C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(F)c1C#N ZINC000428296666 419843925 /nfs/dbraw/zinc/84/39/25/419843925.db2.gz YFXOJMXILCENOW-UHFFFAOYSA-N 0 2 304.413 1.767 20 30 DDEDLN Cc1cc(C(C#N)=C([O-])c2cc3c(c[nH+]2)OCCO3)nc(C)n1 ZINC000425278191 420337791 /nfs/dbraw/zinc/33/77/91/420337791.db2.gz YYLDOJORUAUGCI-LLVKDONJSA-N 0 2 310.313 1.750 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccsc2)cn1 ZINC000492724627 420642836 /nfs/dbraw/zinc/64/28/36/420642836.db2.gz ZOIREQUCRTXQHK-DAFODLJHSA-N 0 2 319.367 1.533 20 30 DDEDLN COCc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1C#N ZINC000530145347 421583055 /nfs/dbraw/zinc/58/30/55/421583055.db2.gz QQUIOKMDXHOGFP-UHFFFAOYSA-N 0 2 320.374 1.845 20 30 DDEDLN CC(C)CCn1nccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000556039645 421697837 /nfs/dbraw/zinc/69/78/37/421697837.db2.gz QOWBJNNWVILOJU-UHFFFAOYSA-N 0 2 319.390 1.997 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cccc3c2OCO3)cn1 ZINC000359833994 268208319 /nfs/dbraw/zinc/20/83/19/268208319.db2.gz NWKKZEORCYJCAS-UHFFFAOYSA-N 0 2 303.299 1.483 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCOCC2)cc1C#N ZINC000345649411 272295238 /nfs/dbraw/zinc/29/52/38/272295238.db2.gz VHBYXNUTCYLIIR-JTQLQIEISA-N 0 2 307.375 1.680 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000389629745 325775757 /nfs/dbraw/zinc/77/57/57/325775757.db2.gz DXYPHQXSRMPVNA-UHFFFAOYSA-N 0 2 314.326 1.634 20 30 DDEDLN CC(C)(C)c1nc(=NC(=O)C(=O)NCCCCC#N)s[nH]1 ZINC000347922279 526855159 /nfs/dbraw/zinc/85/51/59/526855159.db2.gz RSEAIBIGOGVGMS-UHFFFAOYSA-N 0 2 309.395 1.006 20 30 DDEDLN CC[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CN(C(=O)[O-])C1 ZINC000827002855 604557964 /nfs/dbraw/zinc/55/79/64/604557964.db2.gz UXUUGOWQUBHZAE-UHFFFAOYSA-N 0 2 308.382 1.013 20 30 DDEDLN CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CN(C(=O)[O-])C1 ZINC000827002855 604557966 /nfs/dbraw/zinc/55/79/66/604557966.db2.gz UXUUGOWQUBHZAE-UHFFFAOYSA-N 0 2 308.382 1.013 20 30 DDEDLN CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CN(C(=O)[O-])C1 ZINC000826996732 604558146 /nfs/dbraw/zinc/55/81/46/604558146.db2.gz IUALQYIFGSGRBQ-UHFFFAOYSA-N 0 2 322.409 1.355 20 30 DDEDLN CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CN(C(=O)[O-])C1 ZINC000826996732 604558150 /nfs/dbraw/zinc/55/81/50/604558150.db2.gz IUALQYIFGSGRBQ-UHFFFAOYSA-N 0 2 322.409 1.355 20 30 DDEDLN C=C(C)COc1cc(C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)ccc1OC ZINC000819705777 604631880 /nfs/dbraw/zinc/63/18/80/604631880.db2.gz FTCIAZLKCLKVNE-MRXNPFEDSA-N 0 2 321.373 1.936 20 30 DDEDLN C=C(C)COc1cc(C[N@H+]2CCO[C@@H](C(=O)[O-])C2)ccc1OC ZINC000819705777 604631883 /nfs/dbraw/zinc/63/18/83/604631883.db2.gz FTCIAZLKCLKVNE-MRXNPFEDSA-N 0 2 321.373 1.936 20 30 DDEDLN Cn1ncc2c1nc(N=NC1CCC13CCOCC3)[nH]c2=O ZINC000799880221 700172378 /nfs/dbraw/zinc/17/23/78/700172378.db2.gz HWLYNJFQFSXBEH-UHFFFAOYSA-N 0 2 302.338 1.427 20 30 DDEDLN CCCC/N=C1/NC(=O)C(CC(=O)Nc2cnccn2)S1 ZINC000730816397 699516560 /nfs/dbraw/zinc/51/65/60/699516560.db2.gz TYSZOSXUYVSAKE-VIFPVBQESA-N 0 2 307.379 1.193 20 30 DDEDLN COc1ccc2c(c1)C(=NNc1nccnc1Cl)C(=O)N2 ZINC000733080048 699578630 /nfs/dbraw/zinc/57/86/30/699578630.db2.gz ZGXHKXQPCHTUGS-UHFFFAOYSA-N 0 2 303.709 1.907 20 30 DDEDLN CN(C)c1ccc2c(c1)N(C)C(=O)C2=NNc1ncncc1F ZINC000793199202 699739959 /nfs/dbraw/zinc/73/99/59/699739959.db2.gz LIPYYBXPACUNKE-UHFFFAOYSA-N 0 2 314.324 1.474 20 30 DDEDLN C[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1cccc(C#N)c1 ZINC000743776629 699926781 /nfs/dbraw/zinc/92/67/81/699926781.db2.gz CTBCGAMKWAUIEZ-GZMMTYOYSA-N 0 2 302.359 1.292 20 30 DDEDLN CCOc1ccc(S(=O)(=O)Nc2cnn(CC#N)c2)cn1 ZINC000758151568 700686079 /nfs/dbraw/zinc/68/60/79/700686079.db2.gz MFRLBBSBRAQETH-UHFFFAOYSA-N 0 2 307.335 1.001 20 30 DDEDLN Cc1cc(C)nc(NN=C2c3ccc(N(C)C)cc3NC2=O)n1 ZINC000761724520 700868143 /nfs/dbraw/zinc/86/81/43/700868143.db2.gz XZMDUSSPEYYBGY-UHFFFAOYSA-N 0 2 310.361 1.928 20 30 DDEDLN Cn1ncc2c1[nH]c(NN=C1[C@H]3CCCO[C@@H]3C1(C)C)nc2=O ZINC000769815934 701257730 /nfs/dbraw/zinc/25/77/30/701257730.db2.gz ANUANPKILMMDAI-KCJUWKMLSA-N 0 2 316.365 1.672 20 30 DDEDLN Cn1ncc2c1nc(N=NC1[C@H]3CCCO[C@@H]3C1(C)C)[nH]c2=O ZINC000769815934 701257731 /nfs/dbraw/zinc/25/77/31/701257731.db2.gz ANUANPKILMMDAI-KCJUWKMLSA-N 0 2 316.365 1.672 20 30 DDEDLN Cc1nn(C)c(C)c1[C@@H](C)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770861912 701298088 /nfs/dbraw/zinc/29/80/88/701298088.db2.gz HTRWDQGUAOSKLI-BXKDBHETSA-N 0 2 313.361 1.466 20 30 DDEDLN Cn1ncc2c1nc(NN=C1CCCc3ccc(N)cc31)[nH]c2=O ZINC000814848203 701758786 /nfs/dbraw/zinc/75/87/86/701758786.db2.gz PWNWJBXJIJPLJF-UHFFFAOYSA-N 0 2 323.360 1.804 20 30 DDEDLN Cn1ncc2c1nc(N=NC1CCCc3ccc(N)cc31)[nH]c2=O ZINC000814848203 701758789 /nfs/dbraw/zinc/75/87/89/701758789.db2.gz PWNWJBXJIJPLJF-UHFFFAOYSA-N 0 2 323.360 1.804 20 30 DDEDLN C=CCOc1ccc(CC(=O)NCCc2n[nH]c(=S)o2)cc1 ZINC000841421848 702443894 /nfs/dbraw/zinc/44/38/94/702443894.db2.gz FISOTKDECBVQJV-UHFFFAOYSA-N 0 2 319.386 1.825 20 30 DDEDLN CC(C)OCCCNC(=O)C(C#N)=C([O-])c1c[nH+]c2n1CCC2 ZINC000850751751 703749443 /nfs/dbraw/zinc/74/94/43/703749443.db2.gz GLLVKGIJWWUDNK-GFCCVEGCSA-N 0 2 318.377 1.083 20 30 DDEDLN Cc1cccc(CNC(=O)C(C#N)=C([O-])c2c[nH+]c3n2CCC3)c1 ZINC000850977302 703769683 /nfs/dbraw/zinc/76/96/83/703769683.db2.gz QKNBGHTUMOAHGF-AWEZNQCLSA-N 0 2 322.368 1.777 20 30 DDEDLN CCO[C@@H]1COCC[C@@H]1CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000870244167 703971174 /nfs/dbraw/zinc/97/11/74/703971174.db2.gz VLRSVSGRTNZDTI-YRGRVCCFSA-N 0 2 319.361 1.143 20 30 DDEDLN N#CC(C(=O)[C@@H]1COC(=O)N1)c1nc2ccccc2n1C(F)F ZINC000860478170 705200364 /nfs/dbraw/zinc/20/03/64/705200364.db2.gz RHQYQGGNFOILNV-CBAPKCEASA-N 0 2 320.255 1.716 20 30 DDEDLN N#C[C@@H](C(=O)[C@@H]1COC(=O)N1)c1nc2ccccc2n1C(F)F ZINC000860478170 705200367 /nfs/dbraw/zinc/20/03/67/705200367.db2.gz RHQYQGGNFOILNV-CBAPKCEASA-N 0 2 320.255 1.716 20 30 DDEDLN C#CC1(F)CN(C(=O)C2=NN(c3ccccc3CC)CC2=O)C1 ZINC000881941628 707435950 /nfs/dbraw/zinc/43/59/50/707435950.db2.gz GNFLRWMVQQCOMO-UHFFFAOYSA-N 0 2 313.332 1.938 20 30 DDEDLN C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c(C)[nH+]c3C2)C1 ZINC001027471910 738325469 /nfs/dbraw/zinc/32/54/69/738325469.db2.gz WRXTXDDALBWMOJ-LSDHHAIUSA-N 0 2 314.433 1.379 20 30 DDEDLN COc1ccc(Cl)c(S(=O)(=O)Nc2ccnc(C#N)c2)c1 ZINC001189576547 744927572 /nfs/dbraw/zinc/92/75/72/744927572.db2.gz BQLIMSXPUZGNEK-UHFFFAOYSA-N 0 2 323.761 1.838 20 30 DDEDLN N#CCS(=O)(=O)Nc1ncc(Br)nc1Cl ZINC001192938730 745940426 /nfs/dbraw/zinc/94/04/26/745940426.db2.gz GGQMHKICHSCYHK-UHFFFAOYSA-N 0 2 311.548 1.158 20 30 DDEDLN CCOC(=O)c1c[nH]c(NC(=O)c2cccc(C#N)c2O)n1 ZINC001193634773 746156520 /nfs/dbraw/zinc/15/65/20/746156520.db2.gz IZWSBPSARAUEJU-UHFFFAOYSA-N 0 2 300.274 1.416 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ccccc2CO)c1 ZINC001193679434 746173858 /nfs/dbraw/zinc/17/38/58/746173858.db2.gz CCWSENKMBVQXMK-UHFFFAOYSA-N 0 2 318.354 1.860 20 30 DDEDLN COC(=O)CCCCS(=O)(=O)Nc1c(C)cccc1C#N ZINC001196954320 747019069 /nfs/dbraw/zinc/01/90/69/747019069.db2.gz AGTCRPUJNWBTCW-UHFFFAOYSA-N 0 2 310.375 1.952 20 30 DDEDLN CCN(CCNc1ccc(C#N)nn1)C(=O)C(F)C(F)(F)F ZINC001106975840 748456380 /nfs/dbraw/zinc/45/63/80/748456380.db2.gz HTYDBCMZNOZCNG-SNVBAGLBSA-N 0 2 319.262 1.509 20 30 DDEDLN CCN(CCNc1ccc(C#N)nn1)C(=O)[C@@H](F)C(F)(F)F ZINC001106975840 748456383 /nfs/dbraw/zinc/45/63/83/748456383.db2.gz HTYDBCMZNOZCNG-SNVBAGLBSA-N 0 2 319.262 1.509 20 30 DDEDLN C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC001032415583 750695908 /nfs/dbraw/zinc/69/59/08/750695908.db2.gz BHMCERFGAPYVAG-XHNCKOQMSA-N 0 2 300.683 1.924 20 30 DDEDLN C=C(Cl)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)C(F)(F)F ZINC001032415583 750695911 /nfs/dbraw/zinc/69/59/11/750695911.db2.gz BHMCERFGAPYVAG-XHNCKOQMSA-N 0 2 300.683 1.924 20 30 DDEDLN C[C@H](CNc1nccnc1C#N)NC(=O)C(F)C(F)(F)F ZINC001108170755 753349245 /nfs/dbraw/zinc/34/92/45/753349245.db2.gz NRLOLDRWXNHESH-SVRRBLITSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNc1nccnc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001108170755 753349252 /nfs/dbraw/zinc/34/92/52/753349252.db2.gz NRLOLDRWXNHESH-SVRRBLITSA-N 0 2 305.235 1.165 20 30 DDEDLN N#CCN1CC[C@]2(C1)CCCN(C(=O)C(F)C(F)(F)F)C2 ZINC001054136035 759211391 /nfs/dbraw/zinc/21/13/91/759211391.db2.gz NVDYHIAQRLMACE-PWSUYJOCSA-N 0 2 307.291 1.725 20 30 DDEDLN N#CCN1CC[C@]2(C1)CCCN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001054136035 759211404 /nfs/dbraw/zinc/21/14/04/759211404.db2.gz NVDYHIAQRLMACE-PWSUYJOCSA-N 0 2 307.291 1.725 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132218237 768690329 /nfs/dbraw/zinc/69/03/29/768690329.db2.gz NYBWFOWMALCVEF-NEPJUHHUSA-N 0 2 321.425 1.582 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132218237 768690334 /nfs/dbraw/zinc/69/03/34/768690334.db2.gz NYBWFOWMALCVEF-NEPJUHHUSA-N 0 2 321.425 1.582 20 30 DDEDLN C=CCN1CC(OC2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001093537083 774773497 /nfs/dbraw/zinc/77/34/97/774773497.db2.gz CVPIKQFIMZZUPL-GFCCVEGCSA-N 0 2 324.318 1.765 20 30 DDEDLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001099742678 775210881 /nfs/dbraw/zinc/21/08/81/775210881.db2.gz WWWDGNDGNZEQSS-KWQFWETISA-N 0 2 318.274 1.582 20 30 DDEDLN C[C@@H](CCNC(=O)[C@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001099742678 775210886 /nfs/dbraw/zinc/21/08/86/775210886.db2.gz WWWDGNDGNZEQSS-KWQFWETISA-N 0 2 318.274 1.582 20 30 DDEDLN C=C[C@H](COC)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC001118935124 781276614 /nfs/dbraw/zinc/27/66/14/781276614.db2.gz HAISUVILXAWJLX-MRVPVSSYSA-N 0 2 306.771 1.685 20 30 DDEDLN O=C(C=Cc1ccc(F)cc1)C(=O)NCCc1n[nH]c(=S)o1 ZINC001154900726 861551472 /nfs/dbraw/zinc/55/14/72/861551472.db2.gz HZOAMBLUSRCWMG-UTCJRWHESA-N 0 2 321.333 1.439 20 30 DDEDLN C=CCN1C(=O)COCC12CN(Cc1c(F)ccc(F)c1O)C2 ZINC001273205965 848757235 /nfs/dbraw/zinc/75/72/35/848757235.db2.gz GPAYUSQVBYITFP-UHFFFAOYSA-N 0 2 324.327 1.270 20 30 DDEDLN CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072870353 857824729 /nfs/dbraw/zinc/82/47/29/857824729.db2.gz GGIOFSVCYYLORP-HNNXBMFYSA-N 0 2 312.417 1.003 20 30 DDEDLN COc1cc(C#N)ccc1C(=O)N[C@@H](C)c1nn(C)cc1O ZINC001413752399 858480720 /nfs/dbraw/zinc/48/07/20/858480720.db2.gz AEYJSOANGXLFEY-VIFPVBQESA-N 0 2 300.318 1.497 20 30 DDEDLN C#C[C@@H]1CCC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)s2)C1 ZINC001139323806 860364089 /nfs/dbraw/zinc/36/40/89/860364089.db2.gz SSUHZHKYLYDVLE-CQSZACIVSA-N 0 2 304.463 1.740 20 30 DDEDLN COC(=O)CN(CCC(F)(F)F)C(=O)C(F)C(F)(F)F ZINC001361465583 881707419 /nfs/dbraw/zinc/70/74/19/881707419.db2.gz RCQWPIBDFVMDDI-ZCFIWIBFSA-N 0 2 313.169 1.841 20 30 DDEDLN COC(=O)CN(CCC(F)(F)F)C(=O)[C@@H](F)C(F)(F)F ZINC001361465583 881707430 /nfs/dbraw/zinc/70/74/30/881707430.db2.gz RCQWPIBDFVMDDI-ZCFIWIBFSA-N 0 2 313.169 1.841 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001330053019 864049693 /nfs/dbraw/zinc/04/96/93/864049693.db2.gz GIXXKGRBIYNBSY-JTQLQIEISA-N 0 2 307.398 1.049 20 30 DDEDLN C=C[C@@H](COC)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC001320448070 866743494 /nfs/dbraw/zinc/74/34/94/866743494.db2.gz QDTZXMYXOHFXMJ-NSHDSACASA-N 0 2 305.309 1.648 20 30 DDEDLN COc1cnc(C(=O)Nc2nc(-c3cccc(C#N)c3)n[nH]2)nc1 ZINC001161914231 867093851 /nfs/dbraw/zinc/09/38/51/867093851.db2.gz NXQXWZOUKDZMKY-UHFFFAOYSA-N 0 2 321.300 1.394 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N(C)C[C@@H]1CCOC1 ZINC001342413654 872198257 /nfs/dbraw/zinc/19/82/57/872198257.db2.gz GKZQIRDLVMBJFP-VIFPVBQESA-N 0 2 323.788 1.375 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCCC(=O)OC(C)(C)C ZINC001344684147 873076068 /nfs/dbraw/zinc/07/60/68/873076068.db2.gz CQKQTHWCIIZWDW-NSHDSACASA-N 0 2 319.361 1.824 20 30 DDEDLN C=C1O[C@@H](CC)C(=O)C1Oc1[nH]c(=O)ncc1Br ZINC001227138684 882867072 /nfs/dbraw/zinc/86/70/72/882867072.db2.gz SYIOQKJHHOWCDR-ZETCQYMHSA-N 0 2 315.123 1.933 20 30 DDEDLN Cn1c(=O)[nH]c(N2Cc3cccc(Cl)c3C2)c(C#N)c1=O ZINC001364258035 888236135 /nfs/dbraw/zinc/23/61/35/888236135.db2.gz LNTJBQKFVYLXNV-UHFFFAOYSA-N 0 2 302.721 1.119 20 30 DDEDLN COCC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(C)o1 ZINC001365224818 890388827 /nfs/dbraw/zinc/38/88/27/890388827.db2.gz MEZSPHNBBQOGQV-LLVKDONJSA-N 0 2 318.333 1.036 20 30 DDEDLN Cn1nc(C2CC2)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC001258026770 898026498 /nfs/dbraw/zinc/02/64/98/898026498.db2.gz JXXWZALVAIMHJR-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccc(Cl)cc1F ZINC001259514230 898709077 /nfs/dbraw/zinc/70/90/77/898709077.db2.gz COQPPICRMFUSEP-VIFPVBQESA-N 0 2 320.729 1.213 20 30 DDEDLN C=CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001265650742 902254371 /nfs/dbraw/zinc/25/43/71/902254371.db2.gz DLOVLRGOCYYKMP-LBPRGKRZSA-N 0 2 307.398 1.337 20 30 DDEDLN C=CCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001265650742 902254386 /nfs/dbraw/zinc/25/43/86/902254386.db2.gz DLOVLRGOCYYKMP-LBPRGKRZSA-N 0 2 307.398 1.337 20 30 DDEDLN C=C[C@H](CC)CC(=O)N1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001297110423 916734548 /nfs/dbraw/zinc/73/45/48/916734548.db2.gz KLFJFTXBRSMPRL-GFCCVEGCSA-N 0 2 304.394 1.190 20 30 DDEDLN N#Cc1ccncc1N1CCN(c2[nH+]cccc2C(=O)[O-])CC1 ZINC000592421139 355578332 /nfs/dbraw/zinc/57/83/32/355578332.db2.gz OBMJNNHLEXYVSD-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN CC(C)N(CCC#N)C(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000597041515 357046859 /nfs/dbraw/zinc/04/68/59/357046859.db2.gz KRCRNWYBNNGEGA-UHFFFAOYSA-N 0 2 300.318 1.794 20 30 DDEDLN C=CCCSCCNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000597970966 357403967 /nfs/dbraw/zinc/40/39/67/357403967.db2.gz DTVQVGPWHFLHGH-UHFFFAOYSA-N 0 2 320.374 1.475 20 30 DDEDLN COc1ccc2c(c1)C1=NN(c3oc(C)nc3C#N)C(=O)[C@@H]1C2 ZINC000601939407 358745640 /nfs/dbraw/zinc/74/56/40/358745640.db2.gz PGLMJYSCHFDXRE-GFCCVEGCSA-N 0 2 308.297 1.787 20 30 DDEDLN CCNC(=O)c1cc(NS(=O)(=O)[C@@H](C#N)CC)c(C)s1 ZINC000601977827 358762700 /nfs/dbraw/zinc/76/27/00/358762700.db2.gz JKXNOUPGJWQPKU-SECBINFHSA-N 0 2 315.420 1.850 20 30 DDEDLN CC1=C(C(=O)N(C)Cc2cccc(C#N)c2)S(=O)(=O)CCO1 ZINC000281140257 216106377 /nfs/dbraw/zinc/10/63/77/216106377.db2.gz JWYGCPUHTDGTIP-UHFFFAOYSA-N 0 2 320.370 1.193 20 30 DDEDLN COc1cccc(S(=O)(=O)Nc2cc(C)nn2CCC#N)c1 ZINC000608926731 360252247 /nfs/dbraw/zinc/25/22/47/360252247.db2.gz PLJXQNHFTPRLKI-UHFFFAOYSA-N 0 2 320.374 1.915 20 30 DDEDLN C=C[C@](C)(CC)C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000134978010 407957695 /nfs/dbraw/zinc/95/76/95/407957695.db2.gz WPUXAPJOPNVFCW-SNVBAGLBSA-N 0 2 304.397 1.450 20 30 DDEDLN C#CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000274711420 408505353 /nfs/dbraw/zinc/50/53/53/408505353.db2.gz XZPHGTMGFQTHSE-UHFFFAOYSA-N 0 2 303.318 1.082 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1nc(C)c(C(=O)OC)s1 ZINC000291940831 408948228 /nfs/dbraw/zinc/94/82/28/408948228.db2.gz YBRUTKDBIICLMB-UHFFFAOYSA-N 0 2 304.393 1.946 20 30 DDEDLN N#Cc1sc(N2CCC(c3nc(=O)[nH][nH]3)CC2)nc1Cl ZINC000287698572 409078387 /nfs/dbraw/zinc/07/83/87/409078387.db2.gz KGYGFWSKDVKRAM-UHFFFAOYSA-N 0 2 310.770 1.464 20 30 DDEDLN COc1cc(C(=O)N=c2[nH][nH]c(C)c2C#N)cc([N+](=O)[O-])c1C ZINC000357248186 409953333 /nfs/dbraw/zinc/95/33/33/409953333.db2.gz CJVJINGRZBBZAC-UHFFFAOYSA-N 0 2 315.289 2.067 20 30 DDEDLN Cc1cc(=NC(=O)N(CCC#N)Cc2ccccn2)[nH]nc1C ZINC000352960290 410701542 /nfs/dbraw/zinc/70/15/42/410701542.db2.gz WWAFMGLGFUAOOG-UHFFFAOYSA-N 0 2 310.361 2.436 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H](O)C(F)(F)F)cc1C#N ZINC000359516327 410702254 /nfs/dbraw/zinc/70/22/54/410702254.db2.gz UTPZLESUJXPECS-SSDOTTSWSA-N 0 2 321.280 1.034 20 30 DDEDLN N#Cc1cccc(CNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)c1 ZINC000348726028 411064924 /nfs/dbraw/zinc/06/49/24/411064924.db2.gz DKIXYIYAFSUEQX-UHFFFAOYSA-N 0 2 320.308 1.832 20 30 DDEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cncnc2)c1 ZINC000362218184 418750514 /nfs/dbraw/zinc/75/05/14/418750514.db2.gz SREFSLAUPKOCGZ-UHFFFAOYSA-N 0 2 318.358 1.193 20 30 DDEDLN N#CCCC[C@H]([NH3+])C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000424164286 228238962 /nfs/dbraw/zinc/23/89/62/228238962.db2.gz ZHBFNBUQQXUUKL-ZDUSSCGKSA-N 0 2 306.435 1.244 20 30 DDEDLN Cc1nn(C)c(NS(=O)(=O)c2ccc(C#N)c(F)c2)c1C ZINC000427756209 419729048 /nfs/dbraw/zinc/72/90/48/419729048.db2.gz GKBHICNJOLHMJZ-UHFFFAOYSA-N 0 2 308.338 1.849 20 30 DDEDLN C=CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)OCC ZINC000456627932 420519699 /nfs/dbraw/zinc/51/96/99/420519699.db2.gz NOQNWSXRCJJNQS-NSHDSACASA-N 0 2 322.317 1.928 20 30 DDEDLN C=C[C@](C)(CCOC)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000565026503 421595454 /nfs/dbraw/zinc/59/54/54/421595454.db2.gz RMBUNLBPARMFLG-OAHLLOKOSA-N 0 2 308.382 1.445 20 30 DDEDLN Cc1sc(NC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)c(C)c1C ZINC000572601375 421804625 /nfs/dbraw/zinc/80/46/25/421804625.db2.gz ITNIOQBIDDUXFF-UHFFFAOYSA-N 0 2 318.358 1.034 20 30 DDEDLN C=CC[C@@H](CO)CNS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000632182454 422145761 /nfs/dbraw/zinc/14/57/61/422145761.db2.gz JUGQCLHLMJGXBA-MRVPVSSYSA-N 0 2 320.798 1.668 20 30 DDEDLN N#Cc1cccc(OCCCCC(=O)NCc2n[nH]c(=O)[nH]2)c1 ZINC000358353494 268272311 /nfs/dbraw/zinc/27/23/11/268272311.db2.gz JPCKZTHGLVAWLI-UHFFFAOYSA-N 0 2 315.333 1.247 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cn1 ZINC000130317143 281375277 /nfs/dbraw/zinc/37/52/77/281375277.db2.gz QNGRVILKDTZUCS-UHFFFAOYSA-N 0 2 304.287 1.662 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@]2(C)CCCS2)cc1C#N ZINC000163132158 298206641 /nfs/dbraw/zinc/20/66/41/298206641.db2.gz DZZILACBDUNZBR-AWEZNQCLSA-N 0 2 323.443 1.984 20 30 DDEDLN C=C1CCN(C(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[nH]2)CC1 ZINC000345271060 335309014 /nfs/dbraw/zinc/30/90/14/335309014.db2.gz VQAVAHNPNAHUQV-UHFFFAOYSA-N 0 2 300.318 1.537 20 30 DDEDLN C=C(C)[C@@H]1OCC[C@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000362515341 490766556 /nfs/dbraw/zinc/76/65/56/490766556.db2.gz GEQTXCWJCPBRHG-OLZOCXBDSA-N 0 2 315.329 1.950 20 30 DDEDLN C[C@H](CCNc1[nH+]cnc2c1cnn2CCC#N)NC(=O)[O-] ZINC000738907172 602483329 /nfs/dbraw/zinc/48/33/29/602483329.db2.gz LUPARSRSWBSILJ-SECBINFHSA-N 0 2 303.326 1.198 20 30 DDEDLN CN(C(=O)C[NH+]1CCC(C)(C#N)CC1)c1ccccc1C(=O)[O-] ZINC000833684545 605680138 /nfs/dbraw/zinc/68/01/38/605680138.db2.gz INZNAVGFLSEKPL-UHFFFAOYSA-N 0 2 315.373 1.973 20 30 DDEDLN CN(C(=O)C[N@@H+]1CC[C@H](NC(=O)[O-])C1)C1(C#N)CCCCC1 ZINC000739572400 605921038 /nfs/dbraw/zinc/92/10/38/605921038.db2.gz OHEOIAORIIJPJD-LBPRGKRZSA-N 0 2 308.382 1.013 20 30 DDEDLN CN(C(=O)C[N@H+]1CC[C@H](NC(=O)[O-])C1)C1(C#N)CCCCC1 ZINC000739572400 605921042 /nfs/dbraw/zinc/92/10/42/605921042.db2.gz OHEOIAORIIJPJD-LBPRGKRZSA-N 0 2 308.382 1.013 20 30 DDEDLN CC[C@]1(C)NC(=O)N(N=Cc2ccc([N+](=O)[O-])c(O)c2)C1=O ZINC000748130758 700101397 /nfs/dbraw/zinc/10/13/97/700101397.db2.gz CVEQYSGSCIRLQX-ZDUSSCGKSA-N 0 2 306.278 1.355 20 30 DDEDLN C#CCCCOC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000132118137 696811826 /nfs/dbraw/zinc/81/18/26/696811826.db2.gz WKKKWSCFQBLICI-UHFFFAOYSA-N 0 2 302.355 1.792 20 30 DDEDLN C=C1CCC(C(=O)N2CCCN(Cc3n[nH]c(=O)[nH]3)CC2)CC1 ZINC000981886063 696955596 /nfs/dbraw/zinc/95/55/96/696955596.db2.gz XQPZWWHKGXLUGN-UHFFFAOYSA-N 0 2 319.409 1.291 20 30 DDEDLN C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)C(F)C(F)(F)F)C2 ZINC000982283651 697083128 /nfs/dbraw/zinc/08/31/28/697083128.db2.gz VZNQLJBLHDYLJT-ZMLRMANQSA-N 0 2 307.291 1.581 20 30 DDEDLN C[C@]12CN(CC#N)C[C@@]1(C)CN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC000982283651 697083131 /nfs/dbraw/zinc/08/31/31/697083131.db2.gz VZNQLJBLHDYLJT-ZMLRMANQSA-N 0 2 307.291 1.581 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CCCOC2)n1 ZINC000727958133 699433965 /nfs/dbraw/zinc/43/39/65/699433965.db2.gz YROIZHAEFCFENE-ZJUUUORDSA-N 0 2 308.359 1.923 20 30 DDEDLN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)COC1CCOCC1 ZINC000735395832 699693399 /nfs/dbraw/zinc/69/33/99/699693399.db2.gz FWQWVVYYKMXWNA-ZDUSSCGKSA-N 0 2 313.357 1.945 20 30 DDEDLN Cc1cccc2[nH]c([C@H](C#N)C(=O)Cn3cc([N+](=O)[O-])cn3)nc21 ZINC000735793107 699702868 /nfs/dbraw/zinc/70/28/68/699702868.db2.gz QEVUPDIIGVZFQU-LLVKDONJSA-N 0 2 324.300 1.853 20 30 DDEDLN Cc1cccc2nc([C@H](C#N)C(=O)Cn3cc([N+](=O)[O-])cn3)[nH]c21 ZINC000735793107 699702869 /nfs/dbraw/zinc/70/28/69/699702869.db2.gz QEVUPDIIGVZFQU-LLVKDONJSA-N 0 2 324.300 1.853 20 30 DDEDLN N#CC(C(=O)CN1C(=O)CCc2ccccc21)c1ccncn1 ZINC000760345662 700803714 /nfs/dbraw/zinc/80/37/14/700803714.db2.gz MEESPODXKGUKLO-ZDUSSCGKSA-N 0 2 306.325 1.632 20 30 DDEDLN N#C[C@H](C(=O)CN1C(=O)CCc2ccccc21)c1ccncn1 ZINC000760345662 700803716 /nfs/dbraw/zinc/80/37/16/700803716.db2.gz MEESPODXKGUKLO-ZDUSSCGKSA-N 0 2 306.325 1.632 20 30 DDEDLN COC(=O)[C@@H](CC(F)F)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000761179218 700848435 /nfs/dbraw/zinc/84/84/35/700848435.db2.gz BLJLDRWMIZKYNL-UXWFALKESA-N 0 2 302.233 1.916 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2C[C@]23CCOC3)n1 ZINC000764759062 700985443 /nfs/dbraw/zinc/98/54/43/700985443.db2.gz KDFSGVJDPHXPDA-FCHSOHFDSA-N 0 2 320.370 1.923 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H]2C[C@]23CCOC3)n1 ZINC000764759062 700985445 /nfs/dbraw/zinc/98/54/45/700985445.db2.gz KDFSGVJDPHXPDA-FCHSOHFDSA-N 0 2 320.370 1.923 20 30 DDEDLN C[C@@H]1CC(=[NH+]C([O-])=C2CCN(c3ccc(F)cc3)C2=O)NO1 ZINC000765369720 701008321 /nfs/dbraw/zinc/00/83/21/701008321.db2.gz SEXABJHSKLBYHW-BXKDBHETSA-N 0 2 305.309 1.417 20 30 DDEDLN C#CC[C@@H](Cc1ccccc1)NC(=O)C[C@H]1SC(=N)NC1=O ZINC000804457234 701191647 /nfs/dbraw/zinc/19/16/47/701191647.db2.gz QPKNCYRXJRRHMZ-QWHCGFSZSA-N 0 2 315.398 1.294 20 30 DDEDLN Cn1ncc2c1nc(N=NC1CCCC[C@@H]1CCCO)[nH]c2=O ZINC000814848340 701758770 /nfs/dbraw/zinc/75/87/70/701758770.db2.gz SLEJXLSVIOHWFK-SNVBAGLBSA-N 0 2 318.381 1.800 20 30 DDEDLN O=C1[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C[C@H]2CCCCN12 ZINC000840710443 702217146 /nfs/dbraw/zinc/21/71/46/702217146.db2.gz QMUSDWOLJDDUQE-WVIXEJFPSA-N 0 2 303.318 1.873 20 30 DDEDLN CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C#N)cn1CC ZINC000817506424 702393419 /nfs/dbraw/zinc/39/34/19/702393419.db2.gz IHZBESBWNAZJSX-NXEZZACHSA-N 0 2 320.305 1.160 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC000850795535 703753413 /nfs/dbraw/zinc/75/34/13/703753413.db2.gz XACDEZKMLHCYDW-REIXXSIJSA-N 0 2 306.343 1.388 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)[C@H]2[C@@H]3COC[C@@H]32)n1 ZINC000850795535 703753415 /nfs/dbraw/zinc/75/34/15/703753415.db2.gz XACDEZKMLHCYDW-REIXXSIJSA-N 0 2 306.343 1.388 20 30 DDEDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc(C#N)o2)C1 ZINC000830794799 706580868 /nfs/dbraw/zinc/58/08/68/706580868.db2.gz CBVMNFFONNQPDG-GFCCVEGCSA-N 0 2 315.251 1.434 20 30 DDEDLN C=CCCOCC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC000913558988 713260087 /nfs/dbraw/zinc/26/00/87/713260087.db2.gz BUCBXOFWEDWSAD-ZDUSSCGKSA-N 0 2 316.361 1.503 20 30 DDEDLN C[C@@H](C#N)NS(=O)(=O)N=[S@](C)(=O)c1ccccc1F ZINC000906062487 712234491 /nfs/dbraw/zinc/23/44/91/712234491.db2.gz ZUIRPIZFPKTALR-DCXZOGHSSA-N 0 2 305.356 1.029 20 30 DDEDLN CN(CCC/N=C\c1cc([N+](=O)[O-])ccc1O)S(C)(=O)=O ZINC000915112802 713409796 /nfs/dbraw/zinc/40/97/96/713409796.db2.gz GOIQYZZQCOPKOV-LCYFTJDESA-N 0 2 315.351 1.001 20 30 DDEDLN C#CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000968540002 719654714 /nfs/dbraw/zinc/65/47/14/719654714.db2.gz SAWRYAWKRHWVDP-JQWIXIFHSA-N 0 2 314.345 1.002 20 30 DDEDLN C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000968540002 719654716 /nfs/dbraw/zinc/65/47/16/719654716.db2.gz SAWRYAWKRHWVDP-JQWIXIFHSA-N 0 2 314.345 1.002 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2cccc(C(=O)C(F)(F)F)c2)c1=O ZINC001189566837 744925365 /nfs/dbraw/zinc/92/53/65/744925365.db2.gz HMYDDDKAVFHVHO-UHFFFAOYSA-N 0 2 323.230 1.202 20 30 DDEDLN COC(=O)c1ccc(NS(=O)(=O)[C@H](C)C#N)cc1Cl ZINC001193139865 745994475 /nfs/dbraw/zinc/99/44/75/745994475.db2.gz OGUVBSBWBDKPEF-SSDOTTSWSA-N 0 2 302.739 1.780 20 30 DDEDLN O=C(NCCNCC(F)(F)C(F)F)C(F)C(F)(F)F ZINC001127737522 749635708 /nfs/dbraw/zinc/63/57/08/749635708.db2.gz QFBQUYYYJBQSKS-BYPYZUCNSA-N 0 2 302.165 1.493 20 30 DDEDLN O=C(NCCNCC(F)(F)C(F)F)[C@H](F)C(F)(F)F ZINC001127737522 749635716 /nfs/dbraw/zinc/63/57/16/749635716.db2.gz QFBQUYYYJBQSKS-BYPYZUCNSA-N 0 2 302.165 1.493 20 30 DDEDLN C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001005257523 749665543 /nfs/dbraw/zinc/66/55/43/749665543.db2.gz QOPFNOHXPRDEOO-UHFFFAOYSA-N 0 2 312.801 1.713 20 30 DDEDLN C=C1CCC(C(=O)NC2CN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC000999111933 752536999 /nfs/dbraw/zinc/53/69/99/752536999.db2.gz ANNMTDUCBMGUHA-LLVKDONJSA-N 0 2 322.302 1.960 20 30 DDEDLN C=C1CCC(C(=O)NC2CN(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC000999111933 752537003 /nfs/dbraw/zinc/53/70/03/752537003.db2.gz ANNMTDUCBMGUHA-LLVKDONJSA-N 0 2 322.302 1.960 20 30 DDEDLN CC(C)C#CC(=O)NC1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC001063307302 754079719 /nfs/dbraw/zinc/07/97/19/754079719.db2.gz MYCSUQLTXHWTQS-LLVKDONJSA-N 0 2 322.302 1.701 20 30 DDEDLN CC(C)C#CC(=O)NC1(CNC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001063307302 754079722 /nfs/dbraw/zinc/07/97/22/754079722.db2.gz MYCSUQLTXHWTQS-LLVKDONJSA-N 0 2 322.302 1.701 20 30 DDEDLN C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(CCC)[nH]n3)[C@H]2C1 ZINC001083159241 757168768 /nfs/dbraw/zinc/16/87/68/757168768.db2.gz PYLSACRDDZSMLX-JKSUJKDBSA-N 0 2 318.421 1.464 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)nc1)NC(=O)C(F)C(F)(F)F ZINC001108739579 762897300 /nfs/dbraw/zinc/89/73/00/762897300.db2.gz ISLDLKJIRUAFAV-XVKPBYJWSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)nc1)NC(=O)[C@H](F)C(F)(F)F ZINC001108739579 762897307 /nfs/dbraw/zinc/89/73/07/762897307.db2.gz ISLDLKJIRUAFAV-XVKPBYJWSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ncccc1C#N ZINC001113933805 766423641 /nfs/dbraw/zinc/42/36/41/766423641.db2.gz DDALGOFSIUWHRT-WCBMZHEXSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1ncccc1C#N ZINC001113933805 766423642 /nfs/dbraw/zinc/42/36/42/766423642.db2.gz DDALGOFSIUWHRT-WCBMZHEXSA-N 0 2 318.274 1.795 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)nn1 ZINC001097106152 771626015 /nfs/dbraw/zinc/62/60/15/771626015.db2.gz JQFKXBSQUTXZQF-NQMVMOMDSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2)nn1 ZINC001097106152 771626019 /nfs/dbraw/zinc/62/60/19/771626019.db2.gz JQFKXBSQUTXZQF-NQMVMOMDSA-N 0 2 317.246 1.308 20 30 DDEDLN CC(C#N)C(=O)n1c(C(N)=O)c(N)sc1=Nc1ccccc1 ZINC001179889154 779516809 /nfs/dbraw/zinc/51/68/09/779516809.db2.gz FVMIFQFYAAUQDP-MRVPVSSYSA-N 0 2 315.358 1.263 20 30 DDEDLN C[C@H](C#N)C(=O)n1c(C(N)=O)c(N)sc1=Nc1ccccc1 ZINC001179889154 779516814 /nfs/dbraw/zinc/51/68/14/779516814.db2.gz FVMIFQFYAAUQDP-MRVPVSSYSA-N 0 2 315.358 1.263 20 30 DDEDLN C[C@H](C#N)C(=O)NC1(CNC(=O)C(F)C(F)(F)F)CCCC1 ZINC001409469856 845144836 /nfs/dbraw/zinc/14/48/36/845144836.db2.gz ACOHTURAWPVOSA-RKDXNWHRSA-N 0 2 323.290 1.592 20 30 DDEDLN C[C@H](C#N)C(=O)NC1(CNC(=O)[C@@H](F)C(F)(F)F)CCCC1 ZINC001409469856 845144843 /nfs/dbraw/zinc/14/48/43/845144843.db2.gz ACOHTURAWPVOSA-RKDXNWHRSA-N 0 2 323.290 1.592 20 30 DDEDLN Cn1c(=O)[nH]c(N2CCc3ccc(Cl)cc32)c(C#N)c1=O ZINC001412869861 855743514 /nfs/dbraw/zinc/74/35/14/855743514.db2.gz JPZYKGDFIUUCBW-UHFFFAOYSA-N 0 2 302.721 1.293 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N(C)[C@@H](C)CC#N ZINC001339486001 870522208 /nfs/dbraw/zinc/52/22/08/870522208.db2.gz ZTZFWJZEKAGZSI-NSHDSACASA-N 0 2 315.381 1.791 20 30 DDEDLN O=C(CC(F)(F)F)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001385555999 889314605 /nfs/dbraw/zinc/31/46/05/889314605.db2.gz HTQUJZMZFHVRMT-FSPLSTOPSA-N 0 2 324.196 1.556 20 30 DDEDLN O=C(CC(F)(F)F)N[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001385555999 889314630 /nfs/dbraw/zinc/31/46/30/889314630.db2.gz HTQUJZMZFHVRMT-FSPLSTOPSA-N 0 2 324.196 1.556 20 30 DDEDLN Cn1c(=O)[nH]c(NCCCc2cccc(Cl)c2)c(C#N)c1=O ZINC001354091040 877746322 /nfs/dbraw/zinc/74/63/22/877746322.db2.gz ZFNBWUAQUWFZCM-UHFFFAOYSA-N 0 2 318.764 1.643 20 30 DDEDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccccc1Cl ZINC001363155018 885599191 /nfs/dbraw/zinc/59/91/91/885599191.db2.gz LVISTCUBQZSNGY-QMMMGPOBSA-N 0 2 304.737 1.772 20 30 DDEDLN CCS(=O)(CC)=NS(=O)(=O)Nc1cccc(CC#N)n1 ZINC001364954885 889751112 /nfs/dbraw/zinc/75/11/12/889751112.db2.gz BTIFEOPMXJAVIA-UHFFFAOYSA-N 0 2 316.408 1.312 20 30 DDEDLN C[C@@H](C#N)C(=O)NCCN(C(=O)C(F)C(F)(F)F)C1CC1 ZINC001388679120 895679644 /nfs/dbraw/zinc/67/96/44/895679644.db2.gz SJVQKOSUZDTAFQ-CBAPKCEASA-N 0 2 309.263 1.154 20 30 DDEDLN C[C@@H](C#N)C(=O)NCCN(C(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001388679120 895679648 /nfs/dbraw/zinc/67/96/48/895679648.db2.gz SJVQKOSUZDTAFQ-CBAPKCEASA-N 0 2 309.263 1.154 20 30 DDEDLN C#CCCCC(=O)N[C@@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001299530878 898320759 /nfs/dbraw/zinc/32/07/59/898320759.db2.gz JHBPXIUVBITAQZ-YPMHNXCESA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)N[C@@]1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001299530878 898320770 /nfs/dbraw/zinc/32/07/70/898320770.db2.gz JHBPXIUVBITAQZ-YPMHNXCESA-N 0 2 322.302 1.798 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2ccc(F)c(F)c2F)CCC1=O ZINC001259077828 898452862 /nfs/dbraw/zinc/45/28/62/898452862.db2.gz CTJMRXIYDHYUOS-ZETCQYMHSA-N 0 2 318.276 1.207 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC3)CCC1=O ZINC001259859036 898874006 /nfs/dbraw/zinc/87/40/06/898874006.db2.gz ZXTFQDOSIKMNCT-ZDUSSCGKSA-N 0 2 304.371 1.279 20 30 DDEDLN COc1cc(C#N)cc(NS(=O)(=O)c2c(C)nn(C)c2C)c1 ZINC001260110979 899059441 /nfs/dbraw/zinc/05/94/41/899059441.db2.gz BBICTQKSVGVNSG-UHFFFAOYSA-N 0 2 320.374 1.718 20 30 DDEDLN C=CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2[nH]nc(C)c2[O-])C1 ZINC001266096300 902932136 /nfs/dbraw/zinc/93/21/36/902932136.db2.gz FCEWKDANZXIYOP-CYBMUJFWSA-N 0 2 322.409 1.163 20 30 DDEDLN C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)c2[nH]nc(C)c2[O-])C1 ZINC001266096300 902932147 /nfs/dbraw/zinc/93/21/47/902932147.db2.gz FCEWKDANZXIYOP-CYBMUJFWSA-N 0 2 322.409 1.163 20 30 DDEDLN C[C@@H](C#N)C(=O)NCCCN(C(=O)C(F)C(F)(F)F)C1CC1 ZINC001294634240 915258903 /nfs/dbraw/zinc/25/89/03/915258903.db2.gz JIMPZXPBPMCSLL-WCBMZHEXSA-N 0 2 323.290 1.544 20 30 DDEDLN C[C@@H](C#N)C(=O)NCCCN(C(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001294634240 915258921 /nfs/dbraw/zinc/25/89/21/915258921.db2.gz JIMPZXPBPMCSLL-WCBMZHEXSA-N 0 2 323.290 1.544 20 30 DDEDLN C[C@H](C#N)S(=O)(=O)Nc1c2nsnc2ccc1Cl ZINC000088486506 185253181 /nfs/dbraw/zinc/25/31/81/185253181.db2.gz MZYMHBAGLZJANJ-RXMQYKEDSA-N 0 2 302.768 1.998 20 30 DDEDLN Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000328862429 539299206 /nfs/dbraw/zinc/29/92/06/539299206.db2.gz AWWVAHQOVFGAQE-MRVPVSSYSA-N 0 2 323.378 1.674 20 30 DDEDLN N#Cc1ccc(N2CCCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)cn1 ZINC000600675337 358280012 /nfs/dbraw/zinc/28/00/12/358280012.db2.gz LLBUOARVHCNPTG-UHFFFAOYSA-N 0 2 323.356 1.763 20 30 DDEDLN C#CC[C@@H](NC(=O)CCc1nc(N(C)C)no1)c1ccccc1 ZINC000275385779 212302536 /nfs/dbraw/zinc/30/25/36/212302536.db2.gz ABBPPWFJUCPCDE-CQSZACIVSA-N 0 2 312.373 1.949 20 30 DDEDLN Cc1cc(NS(=O)(=O)[C@@H](C)C#N)ncc1Br ZINC000094063736 193342256 /nfs/dbraw/zinc/34/22/56/193342256.db2.gz ZTZBXXWAUIXGCG-ZETCQYMHSA-N 0 2 304.169 1.806 20 30 DDEDLN COCC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000579727983 422823878 /nfs/dbraw/zinc/82/38/78/422823878.db2.gz DFOYIZDTRBHHJC-SFHVURJKSA-N 0 2 317.433 1.462 20 30 DDEDLN C=CC[NH+]1CCC(NC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000178727399 407565932 /nfs/dbraw/zinc/56/59/32/407565932.db2.gz OAFBQNGSXSRVLF-UHFFFAOYSA-N 0 2 305.426 1.565 20 30 DDEDLN Cc1csc(C(C#N)C(=O)CSc2nnnn2C(C)C)n1 ZINC000016453508 406882732 /nfs/dbraw/zinc/88/27/32/406882732.db2.gz XGZLGDNQDJVMJP-VIFPVBQESA-N 0 2 322.419 1.988 20 30 DDEDLN Cc1csc([C@@H](C#N)C(=O)CSc2nnnn2C(C)C)n1 ZINC000016453508 406882734 /nfs/dbraw/zinc/88/27/34/406882734.db2.gz XGZLGDNQDJVMJP-VIFPVBQESA-N 0 2 322.419 1.988 20 30 DDEDLN C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000066914545 407262672 /nfs/dbraw/zinc/26/26/72/407262672.db2.gz SRRTWBZRGYEFHZ-VHSXEESVSA-N 0 2 303.322 1.066 20 30 DDEDLN CC(C)(C)c1cc(NS(=O)(=O)c2ccc(C#N)nc2)[nH]n1 ZINC000229392850 407663044 /nfs/dbraw/zinc/66/30/44/407663044.db2.gz OKDPZRNJYRTFAA-UHFFFAOYSA-N 0 2 305.363 1.775 20 30 DDEDLN N#Cc1nc(NC(=O)c2cccc(-n3cccn3)c2)[nH]c1C#N ZINC000116974964 407802457 /nfs/dbraw/zinc/80/24/57/407802457.db2.gz RLORJSAHPADKLI-UHFFFAOYSA-N 0 2 303.285 1.591 20 30 DDEDLN N#CCCn1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)n1 ZINC000117740925 407852487 /nfs/dbraw/zinc/85/24/87/407852487.db2.gz DQYLTKOETHNTBJ-UHFFFAOYSA-N 0 2 318.358 1.532 20 30 DDEDLN N#CCCn1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)n1 ZINC000117740959 407852796 /nfs/dbraw/zinc/85/27/96/407852796.db2.gz CNESSCYTOAFPQA-UHFFFAOYSA-N 0 2 312.301 1.876 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N(C)CCC#N)=N2)cc1 ZINC000180703268 407911797 /nfs/dbraw/zinc/91/17/97/407911797.db2.gz JAPDZTDGMDKWET-UHFFFAOYSA-N 0 2 300.318 1.572 20 30 DDEDLN COC[C@H](C)n1ccc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000187961325 407910584 /nfs/dbraw/zinc/91/05/84/407910584.db2.gz MRRCJGTXCHDQNG-NSHDSACASA-N 0 2 320.374 1.763 20 30 DDEDLN CCn1cc(S(=O)(=O)Nc2ccccc2O[C@@H](C)C#N)cn1 ZINC000272526426 407965248 /nfs/dbraw/zinc/96/52/48/407965248.db2.gz YIFFQBYNKKNJKS-NSHDSACASA-N 0 2 320.374 1.995 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N/C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000287284852 409012471 /nfs/dbraw/zinc/01/24/71/409012471.db2.gz RVRWDJHKNYYGPX-CEITULEQSA-N 0 2 312.347 1.544 20 30 DDEDLN C=CCS(=O)(=O)CCNC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000278422506 409083881 /nfs/dbraw/zinc/08/38/81/409083881.db2.gz CKGOTXFWYXLECH-UHFFFAOYSA-N 0 2 321.757 1.515 20 30 DDEDLN CC1(C)CCC[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000408488059 164347304 /nfs/dbraw/zinc/34/73/04/164347304.db2.gz NBKSQXZTLGUSSB-GFCCVEGCSA-N 0 2 321.402 1.975 20 30 DDEDLN Cn1c(NS(=O)(=O)c2ccc(C#N)cc2)nc2cccnc21 ZINC000342452694 409641596 /nfs/dbraw/zinc/64/15/96/409641596.db2.gz PRIQSYWCWMURRW-UHFFFAOYSA-N 0 2 313.342 1.641 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2ccc(Br)c(O)c2)c1C#N ZINC000357185011 409925370 /nfs/dbraw/zinc/92/53/70/409925370.db2.gz ZCLSABDIQVAWQJ-UHFFFAOYSA-N 0 2 321.134 2.310 20 30 DDEDLN N#Cc1c(N)n[nH]c1CCCNc1nc(C(F)(F)F)ns1 ZINC000347051247 410324400 /nfs/dbraw/zinc/32/44/00/410324400.db2.gz IRFGIGUXGTXNGL-UHFFFAOYSA-N 0 2 317.300 1.200 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCO[C@@H](C)C2)cc1C#N ZINC000355390977 410489181 /nfs/dbraw/zinc/48/91/81/410489181.db2.gz HBJUPUCUGZXMPC-WCBMZHEXSA-N 0 2 307.375 1.678 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC2(C)CCOCC2)cc1C#N ZINC000347602122 410627303 /nfs/dbraw/zinc/62/73/03/410627303.db2.gz CXSTYXIHJKTKLZ-UHFFFAOYSA-N 0 2 321.402 1.927 20 30 DDEDLN Cn1cc(-c2c[nH]cc2C(=O)N=c2[nH][nH]c(C3CC3)c2C#N)cn1 ZINC000359716835 410831485 /nfs/dbraw/zinc/83/14/85/410831485.db2.gz LMVFPUJCYLZALW-UHFFFAOYSA-N 0 2 321.344 2.140 20 30 DDEDLN Cc1[nH]ncc1CNS(=O)(=O)c1ccc(Cl)cc1C#N ZINC000344298601 411077151 /nfs/dbraw/zinc/07/71/51/411077151.db2.gz CLXSUDMLCUWTAN-UHFFFAOYSA-N 0 2 310.766 1.722 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2ccc3c(c2)OCO3)s1 ZINC000611497803 416663768 /nfs/dbraw/zinc/66/37/68/416663768.db2.gz QSGXKTJDDSTUNU-UHFFFAOYSA-N 0 2 309.328 1.544 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2cc3ccccn3n2)ccc1C#N ZINC000552036268 421569761 /nfs/dbraw/zinc/56/97/61/421569761.db2.gz WYQZLVPRFNAUMR-UHFFFAOYSA-N 0 2 312.354 2.315 20 30 DDEDLN C=CCCOCCCCC(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000567960164 421617012 /nfs/dbraw/zinc/61/70/12/421617012.db2.gz WERHHVDPTPOXJH-ZDUSSCGKSA-N 0 2 322.409 1.979 20 30 DDEDLN Cc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)ncc1C#N ZINC000518193411 421643540 /nfs/dbraw/zinc/64/35/40/421643540.db2.gz INWNJZJQDOZPII-JTQLQIEISA-N 0 2 312.333 1.105 20 30 DDEDLN COc1ccccc1C=CC(=O)NS(=O)(=O)c1cnn(C)c1 ZINC000048648471 334290996 /nfs/dbraw/zinc/29/09/96/334290996.db2.gz BHYIJZXOVHVGJF-BQYQJAHWSA-N 0 2 321.358 1.787 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1cccc(F)c1S(C)(=O)=O ZINC000414487581 527247136 /nfs/dbraw/zinc/24/71/36/527247136.db2.gz SNUQWKJFOGTTAA-UHFFFAOYSA-N 0 2 321.395 1.937 20 30 DDEDLN Cc1ccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H](C)C(=O)[O-])cc1C ZINC000818898934 597493488 /nfs/dbraw/zinc/49/34/88/597493488.db2.gz VXQHMVHYSJTGMA-CQSZACIVSA-N 0 2 317.389 1.955 20 30 DDEDLN Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H](C)C(=O)[O-])cc1C ZINC000818898934 597493489 /nfs/dbraw/zinc/49/34/89/597493489.db2.gz VXQHMVHYSJTGMA-CQSZACIVSA-N 0 2 317.389 1.955 20 30 DDEDLN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000823715332 603838061 /nfs/dbraw/zinc/83/80/61/603838061.db2.gz RWNIVMOBDQZJCC-RISCZKNCSA-N 0 2 316.361 1.569 20 30 DDEDLN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000823715332 603838062 /nfs/dbraw/zinc/83/80/62/603838062.db2.gz RWNIVMOBDQZJCC-RISCZKNCSA-N 0 2 316.361 1.569 20 30 DDEDLN CC(C)C(=O)NCC[N@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833467975 604498980 /nfs/dbraw/zinc/49/89/80/604498980.db2.gz ZWPMEMZKWNMBBE-UHFFFAOYSA-N 0 2 303.362 1.460 20 30 DDEDLN CC(C)C(=O)NCC[N@@H+](C)Cc1cccc(C(=O)[O-])c1C#N ZINC000833467975 604498983 /nfs/dbraw/zinc/49/89/83/604498983.db2.gz ZWPMEMZKWNMBBE-UHFFFAOYSA-N 0 2 303.362 1.460 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000825352135 604599090 /nfs/dbraw/zinc/59/90/90/604599090.db2.gz QXOWJAAHUPAOPV-SWLSCSKDSA-N 0 2 319.361 1.294 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000825352135 604599092 /nfs/dbraw/zinc/59/90/92/604599092.db2.gz QXOWJAAHUPAOPV-SWLSCSKDSA-N 0 2 319.361 1.294 20 30 DDEDLN C#Cc1cccc(NC(=O)C[NH+]2CCC(NC(=O)[O-])CC2)c1 ZINC000823474590 605598525 /nfs/dbraw/zinc/59/85/25/605598525.db2.gz QFQIMHBFASGCJC-UHFFFAOYSA-N 0 2 301.346 1.338 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])C[C@H]1[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000833966532 605683351 /nfs/dbraw/zinc/68/33/51/605683351.db2.gz LRYNFYWDSCCXEX-WQAKAFBOSA-N 0 2 311.288 1.090 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])C[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000833967048 605686835 /nfs/dbraw/zinc/68/68/35/605686835.db2.gz PFCGSTLZZYVNEF-HIFRSBDPSA-N 0 2 311.345 1.464 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)CCCCc3cn[nH]n3)nc21 ZINC000774111841 697845333 /nfs/dbraw/zinc/84/53/33/697845333.db2.gz NIUAUTFQEDFASM-GFCCVEGCSA-N 0 2 323.360 1.974 20 30 DDEDLN N#C[C@H](C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)c1ccccn1 ZINC000248787312 698380742 /nfs/dbraw/zinc/38/07/42/698380742.db2.gz YVSMSTCXHQDTHN-QXEWZRGKSA-N 0 2 311.263 1.715 20 30 DDEDLN COC[C@H](C#N)OC(=O)c1nn(-c2cc(C)ccc2F)cc1O ZINC000801414457 700305156 /nfs/dbraw/zinc/30/51/56/700305156.db2.gz LCSFWPASDIJONJ-JTQLQIEISA-N 0 2 319.292 1.721 20 30 DDEDLN C=CCN(C(=O)C(F)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000764418983 700970106 /nfs/dbraw/zinc/97/01/06/700970106.db2.gz SFLWLBHADIBUSZ-JGVFFNPUSA-N 0 2 303.277 1.089 20 30 DDEDLN C=CCN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000764418983 700970108 /nfs/dbraw/zinc/97/01/08/700970108.db2.gz SFLWLBHADIBUSZ-JGVFFNPUSA-N 0 2 303.277 1.089 20 30 DDEDLN Cn1ncc2c1nc(N=NC=C1COc3ccccc3C1)[nH]c2=O ZINC000769818156 701257904 /nfs/dbraw/zinc/25/79/04/701257904.db2.gz QZECOYVBJMMNFY-UHFFFAOYSA-N 0 2 322.328 1.943 20 30 DDEDLN Cc1nn(C)c(C)c1[C@H](C)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770861914 701298151 /nfs/dbraw/zinc/29/81/51/701298151.db2.gz HTRWDQGUAOSKLI-CABZTGNLSA-N 0 2 313.361 1.466 20 30 DDEDLN Cc1cc(C)n([C@@H](C)CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)n1 ZINC000770875565 701298756 /nfs/dbraw/zinc/29/87/56/701298756.db2.gz BYNBAKCTQRWPTM-QWHCGFSZSA-N 0 2 313.361 1.776 20 30 DDEDLN N#Cc1cccc(N2CCN(C(=O)C(F)C(F)(F)F)CC2)n1 ZINC000811059598 701904908 /nfs/dbraw/zinc/90/49/08/701904908.db2.gz KCNIJLYVICYFRY-NSHDSACASA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1cccc(N2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)n1 ZINC000811059598 701904910 /nfs/dbraw/zinc/90/49/10/701904910.db2.gz KCNIJLYVICYFRY-NSHDSACASA-N 0 2 316.258 1.502 20 30 DDEDLN C[C@H]1CCCc2[nH+]cc(C([O-])=C(C#N)C(=O)N3CCCC3)n21 ZINC000845438844 703156982 /nfs/dbraw/zinc/15/69/82/703156982.db2.gz CQISIKFVQHVTDN-RYUDHWBXSA-N 0 2 300.362 1.725 20 30 DDEDLN C#CCOCCC(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000848031350 703497716 /nfs/dbraw/zinc/49/77/16/703497716.db2.gz ADYLKSFBSGGQNT-UHFFFAOYSA-N 0 2 300.318 1.464 20 30 DDEDLN Nc1ncc2c(n1)CCCC2=[NH+]Nc1ccc(CC(=O)[O-])cc1 ZINC000848415115 703547922 /nfs/dbraw/zinc/54/79/22/703547922.db2.gz WOZHAJTYLYNCNT-UHFFFAOYSA-N 0 2 311.345 1.838 20 30 DDEDLN CON=CC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC000870769597 704127424 /nfs/dbraw/zinc/12/74/24/704127424.db2.gz ITOIJNBYGRXEHK-UHFFFAOYSA-N 0 2 321.230 1.575 20 30 DDEDLN Cc1cc([C@H](C#N)C(=O)[C@@H]2CCC(=O)N2C(C)C)nc(C)n1 ZINC000873498606 707876117 /nfs/dbraw/zinc/87/61/17/707876117.db2.gz XLXIWEFNNHXNDI-JSGCOSHPSA-N 0 2 300.362 1.669 20 30 DDEDLN C=CCC[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(=O)[O-] ZINC000909717194 709594617 /nfs/dbraw/zinc/59/46/17/709594617.db2.gz DAKXMJANCOMDQD-ZDUSSCGKSA-N 0 2 301.346 1.721 20 30 DDEDLN C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]c[nH]c21 ZINC000969022661 719928157 /nfs/dbraw/zinc/92/81/57/719928157.db2.gz GWVJCCPZWSCVHF-HUUCEWRRSA-N 0 2 314.433 1.824 20 30 DDEDLN C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)C(F)C(F)(F)F ZINC001104846957 737275863 /nfs/dbraw/zinc/27/58/63/737275863.db2.gz ATSNMJXCUFMHNM-GMSGAONNSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001104846957 737275866 /nfs/dbraw/zinc/27/58/66/737275866.db2.gz ATSNMJXCUFMHNM-GMSGAONNSA-N 0 2 319.262 1.507 20 30 DDEDLN C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC001028260745 739247794 /nfs/dbraw/zinc/24/77/94/739247794.db2.gz ZTRXGOKLTOBXND-HNNXBMFYSA-N 0 2 323.400 1.485 20 30 DDEDLN N#Cc1ccc(N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cn1 ZINC001059097717 739934029 /nfs/dbraw/zinc/93/40/29/739934029.db2.gz NEWPTMGIBWUERW-QWRGUYRKSA-N 0 2 316.258 1.866 20 30 DDEDLN N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)cn1 ZINC001059097717 739934033 /nfs/dbraw/zinc/93/40/33/739934033.db2.gz NEWPTMGIBWUERW-QWRGUYRKSA-N 0 2 316.258 1.866 20 30 DDEDLN N#C[C@H]1CN(C(=O)Nc2ccc3c(c2)OCCO3)CCC1=O ZINC001185956867 744319398 /nfs/dbraw/zinc/31/93/98/744319398.db2.gz ZXFOFBIUWXQTGO-JTQLQIEISA-N 0 2 301.302 1.404 20 30 DDEDLN CC#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC001186748530 744442168 /nfs/dbraw/zinc/44/21/68/744442168.db2.gz VHRSHKRKCOEADO-MRXNPFEDSA-N 0 2 308.385 1.700 20 30 DDEDLN C=CC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCc3nn[nH]c3C1)CC2 ZINC001035834592 751930490 /nfs/dbraw/zinc/93/04/90/751930490.db2.gz MVCLIDHAXCHRAM-CYBMUJFWSA-N 0 2 315.421 1.020 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ccnc(F)c2)c1 ZINC001193640732 746159011 /nfs/dbraw/zinc/15/90/11/746159011.db2.gz OIXNOKOAXBPGBK-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN C#CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC001033500006 749443059 /nfs/dbraw/zinc/44/30/59/749443059.db2.gz DFLOPWXWCMXVGW-JTQLQIEISA-N 0 2 314.311 1.598 20 30 DDEDLN C[C@H](C#N)C(=O)N[C@H]1CC[C@H](CNC(=O)c2[nH]ncc2F)CC1 ZINC001060811673 750650403 /nfs/dbraw/zinc/65/04/03/750650403.db2.gz CSZGPEHNGIYIIS-GMTAPVOTSA-N 0 2 321.356 1.113 20 30 DDEDLN N#Cc1cccnc1N[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001097258366 757026246 /nfs/dbraw/zinc/02/62/46/757026246.db2.gz ISAYSRZAFPKSNW-AEJSXWLSSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1cccnc1N[C@H]1C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001097258366 757026251 /nfs/dbraw/zinc/02/62/51/757026251.db2.gz ISAYSRZAFPKSNW-AEJSXWLSSA-N 0 2 316.258 1.913 20 30 DDEDLN CC#CC[NH+]1CCC2(C[C@H]2NC(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001016571360 757168055 /nfs/dbraw/zinc/16/80/55/757168055.db2.gz FJKYWHPFERYEAO-GFCCVEGCSA-N 0 2 302.378 1.031 20 30 DDEDLN C[C@H](CN(C)c1ccncc1C#N)NC(=O)C(F)C(F)(F)F ZINC001109274587 763536502 /nfs/dbraw/zinc/53/65/02/763536502.db2.gz GJJFRFHFKIDRKA-KCJUWKMLSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CN(C)c1ccncc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001109274587 763536514 /nfs/dbraw/zinc/53/65/14/763536514.db2.gz GJJFRFHFKIDRKA-KCJUWKMLSA-N 0 2 318.274 1.795 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1 ZINC001109769654 764017108 /nfs/dbraw/zinc/01/71/08/764017108.db2.gz NETYNSBYQMJFMU-WOPDTQHZSA-N 0 2 319.409 1.334 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccc(C#N)cn1 ZINC001113934995 766425399 /nfs/dbraw/zinc/42/53/99/766425399.db2.gz SOEGZTLJUCNWHY-LDYMZIIASA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1ccc(C#N)cn1 ZINC001113934995 766425408 /nfs/dbraw/zinc/42/54/08/766425408.db2.gz SOEGZTLJUCNWHY-LDYMZIIASA-N 0 2 318.274 1.795 20 30 DDEDLN N#Cc1cnccc1N1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001096491585 770463405 /nfs/dbraw/zinc/46/34/05/770463405.db2.gz MZLXNTFGIPOQGY-ONGXEEELSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1cnccc1N1CC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001096491585 770463411 /nfs/dbraw/zinc/46/34/11/770463411.db2.gz MZLXNTFGIPOQGY-ONGXEEELSA-N 0 2 316.258 1.549 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)cn1 ZINC001095758344 855323537 /nfs/dbraw/zinc/32/35/37/855323537.db2.gz DLKYYNQRSOBAEJ-LLVKDONJSA-N 0 2 318.274 1.796 20 30 DDEDLN CN(CCCNC(=O)[C@@H](F)C(F)(F)F)c1ccc(C#N)cn1 ZINC001095758344 855323548 /nfs/dbraw/zinc/32/35/48/855323548.db2.gz DLKYYNQRSOBAEJ-LLVKDONJSA-N 0 2 318.274 1.796 20 30 DDEDLN CC(=O)NCCCCCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC001122632014 858921169 /nfs/dbraw/zinc/92/11/69/858921169.db2.gz NMBARKXBZLCYBZ-LBPRGKRZSA-N 0 2 304.350 1.008 20 30 DDEDLN CN(CC#N)C(=O)c1c[nH]c2cc(Br)ccc2c1=O ZINC001153876955 864188384 /nfs/dbraw/zinc/18/83/84/864188384.db2.gz RSUMLHOFNQTYSE-UHFFFAOYSA-N 0 2 320.146 1.886 20 30 DDEDLN C#C[C@@H](CO)NC(=O)c1cc(Br)c(F)cc1O ZINC001298587022 870634754 /nfs/dbraw/zinc/63/47/54/870634754.db2.gz XDQNLGZFDIFHQM-LURJTMIESA-N 0 2 302.099 1.018 20 30 DDEDLN C#C[C@H](C)N(C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC(=C)C ZINC001357160234 879823192 /nfs/dbraw/zinc/82/31/92/879823192.db2.gz OZRHIGDPRIWKED-LBPRGKRZSA-N 0 2 314.393 1.901 20 30 DDEDLN COc1ccc(OC)c(/C(=N/O)OC(=O)CCC[C@@H](C)O)c1 ZINC001223892928 881135966 /nfs/dbraw/zinc/13/59/66/881135966.db2.gz NVPCELUVTIWGPH-JRELAMLQSA-N 0 2 311.334 1.934 20 30 DDEDLN CC(C)(C)OC(=O)N1C[C@H](Oc2nc(O)cc(=O)[nH]2)[C@H](C#N)C1 ZINC001228391353 883479799 /nfs/dbraw/zinc/47/97/99/883479799.db2.gz VHVHMBLOGLNSFF-BDAKNGLRSA-N 0 2 322.321 1.026 20 30 DDEDLN C[C@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1nn(C)cc1O ZINC001363668622 886932189 /nfs/dbraw/zinc/93/21/89/886932189.db2.gz UMUKXJOQGUCBBS-FZMZJTMJSA-N 0 2 323.356 1.557 20 30 DDEDLN CC[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@@H](C)CO1 ZINC001365313065 890567256 /nfs/dbraw/zinc/56/72/56/890567256.db2.gz GAQGHTZGBFESNH-GXFFZTMASA-N 0 2 301.350 1.306 20 30 DDEDLN CC[C@@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@@H](C)CO1 ZINC001365313065 890567269 /nfs/dbraw/zinc/56/72/69/890567269.db2.gz GAQGHTZGBFESNH-GXFFZTMASA-N 0 2 301.350 1.306 20 30 DDEDLN N#Cc1ccc(NC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC001365475636 890867791 /nfs/dbraw/zinc/86/77/91/890867791.db2.gz SAHIDDPMMXEZNA-NSHDSACASA-N 0 2 312.333 1.793 20 30 DDEDLN COc1nc(C)ncc1NS(=O)(=O)c1ccccc1C#N ZINC001258207997 898105639 /nfs/dbraw/zinc/10/56/39/898105639.db2.gz FRBOXNGSPNKFBZ-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN C=CCCC(=O)N[C@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001299515724 898254032 /nfs/dbraw/zinc/25/40/32/898254032.db2.gz RMPYQFNWXQNWFU-CMPLNLGQSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)N[C@]1(C)CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001299515724 898254047 /nfs/dbraw/zinc/25/40/47/898254047.db2.gz RMPYQFNWXQNWFU-CMPLNLGQSA-N 0 2 310.291 1.960 20 30 DDEDLN CC(=O)c1ncccc1NS(=O)(=O)c1cccc(C#N)c1 ZINC001259118919 898476495 /nfs/dbraw/zinc/47/64/95/898476495.db2.gz WTAJQAPABDHQPR-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)c2cccc(Cl)c2F)ccn1 ZINC001259463505 898681475 /nfs/dbraw/zinc/68/14/75/898681475.db2.gz GTBBDGLVNBQONY-UHFFFAOYSA-N 0 2 311.725 1.968 20 30 DDEDLN CN(C(=O)C#CC1CC1)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001283384755 907268282 /nfs/dbraw/zinc/26/82/82/907268282.db2.gz MZDFFILUVBVECF-CMPLNLGQSA-N 0 2 320.286 1.360 20 30 DDEDLN CN(C(=O)C#CC1CC1)[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001283384755 907268299 /nfs/dbraw/zinc/26/82/99/907268299.db2.gz MZDFFILUVBVECF-CMPLNLGQSA-N 0 2 320.286 1.360 20 30 DDEDLN C=CCCC(=O)NC[C@@H](NC(=O)C(F)C(F)(F)F)C1CC1 ZINC001294867219 915418674 /nfs/dbraw/zinc/41/86/74/915418674.db2.gz YSXNOMGSLFYVOE-KOLCDFICSA-N 0 2 310.291 1.864 20 30 DDEDLN C=CCCC(=O)NC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001294867219 915418684 /nfs/dbraw/zinc/41/86/84/915418684.db2.gz YSXNOMGSLFYVOE-KOLCDFICSA-N 0 2 310.291 1.864 20 30 DDEDLN COCCn1cc(S(=O)(=O)Nc2cc(C)cc(C#N)c2)cn1 ZINC000451108378 231010781 /nfs/dbraw/zinc/01/07/81/231010781.db2.gz AOAGIFQJONPZQD-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN Cc1nn(CC(C)C)c(C)c1CCC(=O)NC1=NC(=O)CN1 ZINC000050222318 352564592 /nfs/dbraw/zinc/56/45/92/352564592.db2.gz DWRZWWVNEBMPEC-UHFFFAOYSA-N 0 2 305.382 1.531 20 30 DDEDLN CCCCOc1ccc(C(=O)NC2=NC(=O)CN2)cc1OC ZINC000050222271 352564651 /nfs/dbraw/zinc/56/46/51/352564651.db2.gz AUCHILOGLLWGSV-UHFFFAOYSA-N 0 2 305.334 1.665 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2cccc(CC#N)c2)nnc1C ZINC000589585050 355002762 /nfs/dbraw/zinc/00/27/62/355002762.db2.gz JLNHSCWBAZDSIX-UHFFFAOYSA-N 0 2 302.359 1.960 20 30 DDEDLN Cc1cc(N2CCC(C(=O)[O-])([S@@](C)=O)CC2)c(C#N)c[nH+]1 ZINC000600678110 358280456 /nfs/dbraw/zinc/28/04/56/358280456.db2.gz LSTXIUSQVBXXJC-OAQYLSRUSA-N 0 2 307.375 1.064 20 30 DDEDLN COCC[N@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000565549016 304075720 /nfs/dbraw/zinc/07/57/20/304075720.db2.gz KYKVZJLWMFSIMS-MRXNPFEDSA-N 0 2 303.406 1.076 20 30 DDEDLN CC[C@@]1(O)CCCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000601813562 358703013 /nfs/dbraw/zinc/70/30/13/358703013.db2.gz KGAZJSNLPFYWKO-OAHLLOKOSA-N 0 2 321.402 1.758 20 30 DDEDLN C[C@@H]1CCCC[N@H+]1CCNC([O-])=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330177492 223083975 /nfs/dbraw/zinc/08/39/75/223083975.db2.gz KTFWWRBCMULYEF-KGLIPLIRSA-N 0 2 305.426 1.576 20 30 DDEDLN C[C@H]1COCCN1CCNC(=O)c1cc(F)c(F)c(O)c1F ZINC000330865586 223149924 /nfs/dbraw/zinc/14/99/24/223149924.db2.gz ROGULPCHVVXCJW-QMMMGPOBSA-N 0 2 318.295 1.835 20 30 DDEDLN N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)nc1 ZINC000293839841 223726031 /nfs/dbraw/zinc/72/60/31/223726031.db2.gz WKTYWUONKPGKEY-ONGXEEELSA-N 0 2 317.242 1.833 20 30 DDEDLN N#Cc1ccc(O[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)nc1 ZINC000293839841 223726032 /nfs/dbraw/zinc/72/60/32/223726032.db2.gz WKTYWUONKPGKEY-ONGXEEELSA-N 0 2 317.242 1.833 20 30 DDEDLN N#Cc1nc(NC(=O)CCn2c(=O)oc3ccccc32)[nH]c1C#N ZINC000026271585 248181478 /nfs/dbraw/zinc/18/14/78/248181478.db2.gz ACQWKMKMWXJEON-UHFFFAOYSA-N 0 2 322.284 1.090 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCC[C@@H]2O)cc1C#N ZINC000330719570 533077998 /nfs/dbraw/zinc/07/79/98/533077998.db2.gz DWWNJZMQNRGSNC-KCJUWKMLSA-N 0 2 307.375 1.272 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCCOC(C)C)cc1C#N ZINC000031893637 406943558 /nfs/dbraw/zinc/94/35/58/406943558.db2.gz PBEWXAQAVXXBSM-UHFFFAOYSA-N 0 2 309.391 1.926 20 30 DDEDLN Cc1oncc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000132603407 407794848 /nfs/dbraw/zinc/79/48/48/407794848.db2.gz OVHUZYLPGSUIOB-UHFFFAOYSA-N 0 2 308.275 1.564 20 30 DDEDLN C[C@H]1CCC[C@](C#N)(NC(=O)c2c[nH]c3c(cnn3C)c2=O)C1 ZINC000179504566 407800353 /nfs/dbraw/zinc/80/03/53/407800353.db2.gz WRCSSMDUFJQJOU-QFYYESIMSA-N 0 2 313.361 1.876 20 30 DDEDLN COCCS(=O)(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000154422784 408036241 /nfs/dbraw/zinc/03/62/41/408036241.db2.gz UANBWZOOTQVYAU-UHFFFAOYSA-N 0 2 306.290 1.548 20 30 DDEDLN Cc1nc(CCCC(=O)Nc2nc(C#N)c(C#N)[nH]2)cs1 ZINC000176129495 408293516 /nfs/dbraw/zinc/29/35/16/408293516.db2.gz FEKYVYYQGHBSRL-UHFFFAOYSA-N 0 2 300.347 1.879 20 30 DDEDLN N#Cc1nc(NC(=O)c2cccc([C@H]3CCOC3)c2)[nH]c1C#N ZINC000270568308 408583267 /nfs/dbraw/zinc/58/32/67/408583267.db2.gz NXHTXHNQAAVGOA-LBPRGKRZSA-N 0 2 307.313 1.909 20 30 DDEDLN C#CCOc1ccc(F)cc1NS(=O)(=O)CCC(=O)OC ZINC000290489249 409421890 /nfs/dbraw/zinc/42/18/90/409421890.db2.gz JANFHNWZUHPZAC-UHFFFAOYSA-N 0 2 315.322 1.143 20 30 DDEDLN C[C@@H]1CC=CC[C@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408485410 164346749 /nfs/dbraw/zinc/34/67/49/164346749.db2.gz HIJYGVALKVMQPU-ZWNOBZJWSA-N 0 2 305.359 1.360 20 30 DDEDLN N#C[C@H](C(=O)c1ccoc1CC(N)=O)c1cnc2ccccc2n1 ZINC000354179172 409724721 /nfs/dbraw/zinc/72/47/21/409724721.db2.gz IKNNPNNKMPSJLH-NSHDSACASA-N 0 2 320.308 1.741 20 30 DDEDLN Cc1ccc2c(n1)[nH]cc(C(=O)N[C@@H]1CCS(=O)(=O)C1)c2=O ZINC000328703546 409955921 /nfs/dbraw/zinc/95/59/21/409955921.db2.gz XVDPTTCYIMKOKT-SECBINFHSA-N 0 2 321.358 1.136 20 30 DDEDLN Cn1c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc2ccccc2c1=O ZINC000351257422 410051128 /nfs/dbraw/zinc/05/11/28/410051128.db2.gz SKQSOMSTBXEWNY-UHFFFAOYSA-N 0 2 318.296 1.257 20 30 DDEDLN Cc1nc2ccccc2n1CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000194151708 306728286 /nfs/dbraw/zinc/72/82/86/306728286.db2.gz OXJLAHKOJQSEPI-UHFFFAOYSA-N 0 2 305.301 1.450 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCC[C@H](O)C2)cc1C#N ZINC000359400889 410640978 /nfs/dbraw/zinc/64/09/78/410640978.db2.gz DOCAKDWUBAZUIV-KOLCDFICSA-N 0 2 321.402 1.662 20 30 DDEDLN COc1cccc2c1n[nH]c2C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000347916362 410788116 /nfs/dbraw/zinc/78/81/16/410788116.db2.gz SLPDAKGDWWUKMM-UHFFFAOYSA-N 0 2 307.273 1.290 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)[nH]c1C#N ZINC000344169488 411005125 /nfs/dbraw/zinc/00/51/25/411005125.db2.gz BIBMDEWBVHOQSD-UHFFFAOYSA-N 0 2 300.209 1.453 20 30 DDEDLN COc1cc(NS(=O)(=O)c2ccccc2CC#N)nn1C ZINC000526005025 417172097 /nfs/dbraw/zinc/17/20/97/417172097.db2.gz QMAGGMXUBNOMCJ-UHFFFAOYSA-N 0 2 306.347 1.296 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2cccc3c2OCO3)s1 ZINC000619751079 417260565 /nfs/dbraw/zinc/26/05/65/417260565.db2.gz OSDZPLBXWLGCRV-UHFFFAOYSA-N 0 2 309.328 1.544 20 30 DDEDLN COCCn1ccc(C(=O)C(C#N)c2cnc3ccccc3n2)n1 ZINC000190897325 222091175 /nfs/dbraw/zinc/09/11/75/222091175.db2.gz IPJVYXAINFPKBR-GFCCVEGCSA-N 0 2 321.340 1.963 20 30 DDEDLN COCCn1ccc(C(=O)[C@H](C#N)c2cnc3ccccc3n2)n1 ZINC000190897325 222091179 /nfs/dbraw/zinc/09/11/79/222091179.db2.gz IPJVYXAINFPKBR-GFCCVEGCSA-N 0 2 321.340 1.963 20 30 DDEDLN Cc1nsc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C#N ZINC000367939400 418660379 /nfs/dbraw/zinc/66/03/79/418660379.db2.gz UHVAHEZIOCCOHH-LBPRGKRZSA-N 0 2 305.451 1.904 20 30 DDEDLN C=CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@@H+]2CC2CCC2)CC1 ZINC000376732003 418701000 /nfs/dbraw/zinc/70/10/00/418701000.db2.gz CROJEQGNUDJWMM-QGZVFWFLSA-N 0 2 321.465 1.254 20 30 DDEDLN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cncnc1 ZINC000362216691 418750499 /nfs/dbraw/zinc/75/04/99/418750499.db2.gz PYEUYPVTRHIUHX-UHFFFAOYSA-N 0 2 305.275 1.057 20 30 DDEDLN CCc1noc(C)c1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427325379 419638472 /nfs/dbraw/zinc/63/84/72/419638472.db2.gz VOMDNWZCISCGAF-UHFFFAOYSA-N 0 2 306.347 1.921 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000610725049 422471485 /nfs/dbraw/zinc/47/14/85/422471485.db2.gz BCYYCAFKCJDPDK-UHFFFAOYSA-N 0 2 316.345 1.785 20 30 DDEDLN CC#CC[C@H](CO)NC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000646235663 423411899 /nfs/dbraw/zinc/41/18/99/423411899.db2.gz HHNAZFHJQGECBN-GFCCVEGCSA-N 0 2 316.386 1.523 20 30 DDEDLN CCCCc1cc(NS(=O)(=O)c2cncc(C#N)c2)[nH]n1 ZINC000357376933 266039451 /nfs/dbraw/zinc/03/94/51/266039451.db2.gz XRXHOVUQVLSTCM-UHFFFAOYSA-N 0 2 305.363 1.820 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2nccc(C3CC3)n2)cc1C#N ZINC000530157320 268087985 /nfs/dbraw/zinc/08/79/85/268087985.db2.gz QBIVBMCRYFCNEC-UHFFFAOYSA-N 0 2 315.358 1.730 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(CCO)CC2CC2)cc1C#N ZINC000344969990 272149274 /nfs/dbraw/zinc/14/92/74/272149274.db2.gz FTFCXXHDJJTABH-UHFFFAOYSA-N 0 2 307.375 1.225 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)c(F)c1 ZINC000130784201 281394709 /nfs/dbraw/zinc/39/47/09/281394709.db2.gz FDOXXSABSKYVRW-UHFFFAOYSA-N 0 2 317.305 1.769 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c(F)c1 ZINC000130784201 281394710 /nfs/dbraw/zinc/39/47/10/281394710.db2.gz FDOXXSABSKYVRW-UHFFFAOYSA-N 0 2 317.305 1.769 20 30 DDEDLN CC(C)c1cccc(NC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)c1 ZINC000576107169 308289097 /nfs/dbraw/zinc/28/90/97/308289097.db2.gz BBAWNIWCDBMWHD-UHFFFAOYSA-N 0 2 312.329 1.170 20 30 DDEDLN C=CCONC(=O)[C@]1(COC)CCN(C(=O)OC(C)(C)C)C1 ZINC000496327708 340003174 /nfs/dbraw/zinc/00/31/74/340003174.db2.gz OEXYTTGQACWUHQ-OAHLLOKOSA-N 0 2 314.382 1.494 20 30 DDEDLN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC(=O)[O-] ZINC000820876431 598043073 /nfs/dbraw/zinc/04/30/73/598043073.db2.gz JMCCLLZKMKNORN-GFCCVEGCSA-N 0 2 319.361 1.347 20 30 DDEDLN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC(=O)[O-] ZINC000820876431 598043077 /nfs/dbraw/zinc/04/30/77/598043077.db2.gz JMCCLLZKMKNORN-GFCCVEGCSA-N 0 2 319.361 1.347 20 30 DDEDLN CC(C)[N@H+](CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1C#N ZINC000820015404 598077943 /nfs/dbraw/zinc/07/79/43/598077943.db2.gz RGICMTJGAIMSLT-UHFFFAOYSA-N 0 2 309.753 1.945 20 30 DDEDLN CC(C)[N@@H+](CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1C#N ZINC000820015404 598077947 /nfs/dbraw/zinc/07/79/47/598077947.db2.gz RGICMTJGAIMSLT-UHFFFAOYSA-N 0 2 309.753 1.945 20 30 DDEDLN C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000819848396 598223060 /nfs/dbraw/zinc/22/30/60/598223060.db2.gz SJCRFDYQBQRDCB-INIZCTEOSA-N 0 2 316.361 1.303 20 30 DDEDLN Cc1cc(C)n(N=Cc2cccnc2C)c(=O)c1-c1nn[nH]n1 ZINC000737256230 598729466 /nfs/dbraw/zinc/72/94/66/598729466.db2.gz ILNRAKVBMSTZRM-UHFFFAOYSA-N 0 2 309.333 1.231 20 30 DDEDLN Cc1oc(C(=O)[O-])cc1C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000738962647 600147436 /nfs/dbraw/zinc/14/74/36/600147436.db2.gz DBNHZBFRHRNKGC-AWEZNQCLSA-N 0 2 305.378 1.952 20 30 DDEDLN COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000818500734 601308692 /nfs/dbraw/zinc/30/86/92/601308692.db2.gz ZHQLBOQXDSDVAL-CQSZACIVSA-N 0 2 302.330 1.569 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2NC[C@@H]1CCN(C(=O)[O-])C1 ZINC000833965749 605378433 /nfs/dbraw/zinc/37/84/33/605378433.db2.gz RDKMKUDPKXNMCA-JTQLQIEISA-N 0 2 315.337 1.152 20 30 DDEDLN C=C(C)CNC(=S)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000011094590 696043134 /nfs/dbraw/zinc/04/31/34/696043134.db2.gz AKNNDQWCGADBSG-UHFFFAOYSA-N 0 2 308.432 1.867 20 30 DDEDLN COCCONC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000748776778 700134691 /nfs/dbraw/zinc/13/46/91/700134691.db2.gz NBHPXKIMEACNQV-UHFFFAOYSA-N 0 2 309.391 1.665 20 30 DDEDLN C=CCCc1ccccc1NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000800153246 700194862 /nfs/dbraw/zinc/19/48/62/700194862.db2.gz APWCLNXTJAIKGS-UHFFFAOYSA-N 0 2 323.356 1.829 20 30 DDEDLN CCOC(=O)CN(CC(F)(F)F)C(=O)C(F)C(F)(F)F ZINC000788127869 699282008 /nfs/dbraw/zinc/28/20/08/699282008.db2.gz ILCBBOCIHQYDGC-ZCFIWIBFSA-N 0 2 313.169 1.841 20 30 DDEDLN CCOC(=O)CN(CC(F)(F)F)C(=O)[C@@H](F)C(F)(F)F ZINC000788127869 699282009 /nfs/dbraw/zinc/28/20/09/699282009.db2.gz ILCBBOCIHQYDGC-ZCFIWIBFSA-N 0 2 313.169 1.841 20 30 DDEDLN C[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1nnnn1C1CC1 ZINC000790099359 699442972 /nfs/dbraw/zinc/44/29/72/699442972.db2.gz NXULWTGDBDJUPX-BNUBCSQOSA-N 0 2 302.294 1.802 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC000740811447 699801712 /nfs/dbraw/zinc/80/17/12/699801712.db2.gz IBLMHJFBBIXVTR-UHFFFAOYSA-N 0 2 301.331 1.388 20 30 DDEDLN CC(=NNc1ccnc(N(C)C)n1)c1cc([N+](=O)[O-])ccc1O ZINC000758108258 700684071 /nfs/dbraw/zinc/68/40/71/700684071.db2.gz BEJXSGDDYVMEKM-UHFFFAOYSA-N 0 2 316.321 1.993 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2ccc(Cl)nc2)s1 ZINC000759151224 700739420 /nfs/dbraw/zinc/73/94/20/700739420.db2.gz GUQBTMYFZVMFKO-UHFFFAOYSA-N 0 2 300.752 1.864 20 30 DDEDLN C[C@](C#N)(NC(=O)COC(=O)c1cc(F)c(O)c(F)c1)C1CC1 ZINC000759543703 700757871 /nfs/dbraw/zinc/75/78/71/700757871.db2.gz JWIBKHZHGKGBIJ-OAHLLOKOSA-N 0 2 324.283 1.636 20 30 DDEDLN CC(C)(C)n1ncc2c1[nH]c(NN=C[C@H]1CCOC1)nc2=O ZINC000769810614 701257317 /nfs/dbraw/zinc/25/73/17/701257317.db2.gz RGTQJWPDVSAZOY-SECBINFHSA-N 0 2 304.354 1.721 20 30 DDEDLN CC(C)(C)n1ncc2c1nc(N=NC[C@H]1CCOC1)[nH]c2=O ZINC000769810614 701257320 /nfs/dbraw/zinc/25/73/20/701257320.db2.gz RGTQJWPDVSAZOY-SECBINFHSA-N 0 2 304.354 1.721 20 30 DDEDLN Cc1nn(C)c(C)c1CCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770730456 701292343 /nfs/dbraw/zinc/29/23/43/701292343.db2.gz NOMNCUHUEJTPSS-ZDUSSCGKSA-N 0 2 313.361 1.295 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCNC(=O)OC(C)(C)C ZINC000770871516 701298502 /nfs/dbraw/zinc/29/85/02/701298502.db2.gz NPKLUODFQALMOC-SNVBAGLBSA-N 0 2 320.349 1.226 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCc3ncccc32)cc1C#N ZINC000771062124 701307682 /nfs/dbraw/zinc/30/76/82/701307682.db2.gz CJSGTGBMGLFJKU-UHFFFAOYSA-N 0 2 312.354 1.979 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@H]1OCc2ccccc21 ZINC000847664895 703449976 /nfs/dbraw/zinc/44/99/76/703449976.db2.gz MMGAIZTUCNOMCZ-DZGCQCFKSA-N 0 2 309.325 1.973 20 30 DDEDLN C=CC[C@@H](NC(=O)NCc1nnc(COC)[nH]1)c1ccncc1 ZINC000853746191 704309491 /nfs/dbraw/zinc/30/94/91/704309491.db2.gz GFHGYLLJQVKPBD-GFCCVEGCSA-N 0 2 316.365 1.463 20 30 DDEDLN C#CCCN(CCOC)C(=O)c1c[nH]c2c(C)cccc2c1=O ZINC000857341091 704581597 /nfs/dbraw/zinc/58/15/97/704581597.db2.gz OFRKLATXCKGPTM-UHFFFAOYSA-N 0 2 312.369 1.948 20 30 DDEDLN N#Cc1ccc(OCC(=O)CCNC(=O)C(F)(F)F)c(F)c1 ZINC000865360140 706412655 /nfs/dbraw/zinc/41/26/55/706412655.db2.gz BKRPIWXXDMXOTD-UHFFFAOYSA-N 0 2 318.226 1.714 20 30 DDEDLN C=C(C)C[C@H](NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1)C(=O)[O-] ZINC000910292759 709871549 /nfs/dbraw/zinc/87/15/49/709871549.db2.gz IFQBBNYODPICNV-IHRRRGAJSA-N 0 2 312.410 1.411 20 30 DDEDLN C=C(C)C[C@H](NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1)C(=O)[O-] ZINC000910292759 709871550 /nfs/dbraw/zinc/87/15/50/709871550.db2.gz IFQBBNYODPICNV-IHRRRGAJSA-N 0 2 312.410 1.411 20 30 DDEDLN C=CCn1cc(C[NH2+]Cc2c(C)nn(CCC(=O)[O-])c2C)nn1 ZINC000902468822 710763506 /nfs/dbraw/zinc/76/35/06/710763506.db2.gz YQJKOIPMPKXDDW-UHFFFAOYSA-N 0 2 318.381 1.042 20 30 DDEDLN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1c(C#N)c(C)nn1C ZINC000903172998 711054902 /nfs/dbraw/zinc/05/49/02/711054902.db2.gz IOLSRMKRFKKGAF-NSHDSACASA-N 0 2 314.411 1.403 20 30 DDEDLN C#CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3[nH]nc(C)c3[O-])C2)C1 ZINC000961135101 716826798 /nfs/dbraw/zinc/82/67/98/716826798.db2.gz VDPRLZCWYYMHSX-ZIAGYGMSSA-N 0 2 316.405 1.231 20 30 DDEDLN C#CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3[nH]nc(C)c3[O-])C2)C1 ZINC000961135101 716826804 /nfs/dbraw/zinc/82/68/04/716826804.db2.gz VDPRLZCWYYMHSX-ZIAGYGMSSA-N 0 2 316.405 1.231 20 30 DDEDLN C=CC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]c[nH+]c1C)CCO2 ZINC000949236153 719969116 /nfs/dbraw/zinc/96/91/16/719969116.db2.gz ILTUGVMDMGFDJX-UHFFFAOYSA-N 0 2 318.421 1.140 20 30 DDEDLN N#CCN1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131340 732838552 /nfs/dbraw/zinc/83/85/52/732838552.db2.gz JVOQDDLYDKOKNZ-VXGBXAGGSA-N 0 2 321.318 1.971 20 30 DDEDLN C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001027897427 738785347 /nfs/dbraw/zinc/78/53/47/738785347.db2.gz NGMSMMCUFBWEOU-CZUORRHYSA-N 0 2 317.437 1.557 20 30 DDEDLN N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)c2cn[nH]n2)cc1 ZINC001024525077 735899346 /nfs/dbraw/zinc/89/93/46/735899346.db2.gz HHQJXGKJGRBTFT-OAHLLOKOSA-N 0 2 324.388 1.461 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001088201523 741104341 /nfs/dbraw/zinc/10/43/41/741104341.db2.gz GXNKWIXWUMNDGX-CABCVRRESA-N 0 2 322.840 1.724 20 30 DDEDLN N#Cc1ccc(NC2(CNC(=O)C(F)C(F)(F)F)CC2)nn1 ZINC001110375403 744340970 /nfs/dbraw/zinc/34/09/70/744340970.db2.gz HMXGUPJHGFMYEI-SECBINFHSA-N 0 2 317.246 1.309 20 30 DDEDLN N#Cc1ccc(NC2(CNC(=O)[C@@H](F)C(F)(F)F)CC2)nn1 ZINC001110375403 744340975 /nfs/dbraw/zinc/34/09/75/744340975.db2.gz HMXGUPJHGFMYEI-SECBINFHSA-N 0 2 317.246 1.309 20 30 DDEDLN N#Cc1cccnc1NC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001110375226 744347260 /nfs/dbraw/zinc/34/72/60/744347260.db2.gz ALXUAHLQSGQHRG-SECBINFHSA-N 0 2 316.258 1.914 20 30 DDEDLN N#Cc1cccnc1NC1(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001110375226 744347262 /nfs/dbraw/zinc/34/72/62/744347262.db2.gz ALXUAHLQSGQHRG-SECBINFHSA-N 0 2 316.258 1.914 20 30 DDEDLN Cn1c(=O)[nH]c(NCc2cccc(-c3cnco3)c2)c(C#N)c1=O ZINC001186896362 744462756 /nfs/dbraw/zinc/46/27/56/744462756.db2.gz PNLMLOPQCGLGLM-UHFFFAOYSA-N 0 2 323.312 1.212 20 30 DDEDLN CC(C)C[C@H](NC(=O)c1ccc(F)c(F)c1O)C(=O)NO ZINC001192818441 745903502 /nfs/dbraw/zinc/90/35/02/745903502.db2.gz NWMZNSMUERKJQQ-VIFPVBQESA-N 0 2 302.277 1.320 20 30 DDEDLN COC(=O)c1cc(F)c(NS(=O)(=O)[C@H](C)C#N)c(C)c1F ZINC001193158045 746001008 /nfs/dbraw/zinc/00/10/08/746001008.db2.gz KXSXURSXAMGPDF-ZCFIWIBFSA-N 0 2 318.301 1.714 20 30 DDEDLN C[C@H](C#N)S(=O)(=O)Nc1c(F)cccc1OC1COC1 ZINC001193161831 746003557 /nfs/dbraw/zinc/00/35/57/746003557.db2.gz UIOIOSZRVAABCV-MRVPVSSYSA-N 0 2 300.311 1.257 20 30 DDEDLN COc1nc(Cl)ncc1NC(=O)c1cccc(C#N)c1O ZINC001193643011 746160144 /nfs/dbraw/zinc/16/01/44/746160144.db2.gz VPRZGAAHXNSXLX-UHFFFAOYSA-N 0 2 304.693 1.968 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3n[nH]c(=O)[n-]3)[C@@H]2C)C1 ZINC000993786254 746325537 /nfs/dbraw/zinc/32/55/37/746325537.db2.gz FIHKXWUTEHDMNH-VXGBXAGGSA-N 0 2 319.409 1.336 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3n[nH]c(=O)[n-]3)[C@@H]2C)C1 ZINC000993786254 746325544 /nfs/dbraw/zinc/32/55/44/746325544.db2.gz FIHKXWUTEHDMNH-VXGBXAGGSA-N 0 2 319.409 1.336 20 30 DDEDLN N#Cc1cnc(NC/C=C/CNC(=O)C(F)C(F)(F)F)cn1 ZINC001107561814 750139672 /nfs/dbraw/zinc/13/96/72/750139672.db2.gz OKQOJRZSGAVPGK-TXXBHVLJSA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1cnc(NC/C=C/CNC(=O)[C@@H](F)C(F)(F)F)cn1 ZINC001107561814 750139675 /nfs/dbraw/zinc/13/96/75/750139675.db2.gz OKQOJRZSGAVPGK-TXXBHVLJSA-N 0 2 317.246 1.333 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@H]2CN(C(=O)c3[nH]nc(C)c3[O-])CC[C@H]21 ZINC001036691436 753411028 /nfs/dbraw/zinc/41/10/28/753411028.db2.gz OYIAOUVNOPOYJN-NWDGAFQWSA-N 0 2 324.812 1.713 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)c3[nH]nc(C)c3[O-])CC[C@H]21 ZINC001036691436 753411032 /nfs/dbraw/zinc/41/10/32/753411032.db2.gz OYIAOUVNOPOYJN-NWDGAFQWSA-N 0 2 324.812 1.713 20 30 DDEDLN O=C(C#CC1CC1)NCC1(NC(=O)C(F)C(F)(F)F)CCC1 ZINC001062979186 753890096 /nfs/dbraw/zinc/89/00/96/753890096.db2.gz OBUACKKHSBBVBY-NSHDSACASA-N 0 2 320.286 1.455 20 30 DDEDLN O=C(C#CC1CC1)NCC1(NC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001062979186 753890102 /nfs/dbraw/zinc/89/01/02/753890102.db2.gz OBUACKKHSBBVBY-NSHDSACASA-N 0 2 320.286 1.455 20 30 DDEDLN N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)C(F)C(F)(F)F)C2)n1 ZINC001097258596 757026289 /nfs/dbraw/zinc/02/62/89/757026289.db2.gz UBTDKVRRBMAMPK-MATHAZKKSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2)n1 ZINC001097258596 757026295 /nfs/dbraw/zinc/02/62/95/757026295.db2.gz UBTDKVRRBMAMPK-MATHAZKKSA-N 0 2 317.246 1.308 20 30 DDEDLN C#CCCCC(=O)N(C)CCCN(C)C(=O)C(F)C(F)(F)F ZINC001067289709 761848286 /nfs/dbraw/zinc/84/82/86/761848286.db2.gz XWCPPOVZBXTCPX-LBPRGKRZSA-N 0 2 324.318 1.997 20 30 DDEDLN C#CCCCC(=O)N(C)CCCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001067289709 761848294 /nfs/dbraw/zinc/84/82/94/761848294.db2.gz XWCPPOVZBXTCPX-LBPRGKRZSA-N 0 2 324.318 1.997 20 30 DDEDLN C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001109276091 763538085 /nfs/dbraw/zinc/53/80/85/763538085.db2.gz YGRPAIBHBLKIOD-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CN(C)c1cnc(C#N)cn1)NC(=O)[C@H](F)C(F)(F)F ZINC001109276091 763538089 /nfs/dbraw/zinc/53/80/89/763538089.db2.gz YGRPAIBHBLKIOD-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CN(C)c1nccnc1C#N)NC(=O)C(F)C(F)(F)F ZINC001109275651 763538192 /nfs/dbraw/zinc/53/81/92/763538192.db2.gz SWZXMURXVNIEMO-IONNQARKSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001109275651 763538199 /nfs/dbraw/zinc/53/81/99/763538199.db2.gz SWZXMURXVNIEMO-IONNQARKSA-N 0 2 319.262 1.190 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001042015344 763567586 /nfs/dbraw/zinc/56/75/86/763567586.db2.gz GOLKOGKPZBZXMA-VXGBXAGGSA-N 0 2 324.812 1.713 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001042015344 763567592 /nfs/dbraw/zinc/56/75/92/763567592.db2.gz GOLKOGKPZBZXMA-VXGBXAGGSA-N 0 2 324.812 1.713 20 30 DDEDLN C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001046594747 767719513 /nfs/dbraw/zinc/71/95/13/767719513.db2.gz OLYFZJXCRZGJKN-MRXNPFEDSA-N 0 2 319.409 1.337 20 30 DDEDLN C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3n[nH]c(=O)[n-]3)C2)CC1 ZINC001046594747 767719517 /nfs/dbraw/zinc/71/95/17/767719517.db2.gz OLYFZJXCRZGJKN-MRXNPFEDSA-N 0 2 319.409 1.337 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(C)c1[O-] ZINC001049421394 770807174 /nfs/dbraw/zinc/80/71/74/770807174.db2.gz COEAVXXHHPHLNJ-RYUDHWBXSA-N 0 2 324.812 1.855 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1n[nH]c(C)c1[O-] ZINC001049421394 770807183 /nfs/dbraw/zinc/80/71/83/770807183.db2.gz COEAVXXHHPHLNJ-RYUDHWBXSA-N 0 2 324.812 1.855 20 30 DDEDLN C=CCN1c2ccccc2[C@]2(CC[N@H+](Cc3c[nH]nn3)C2)C1=O ZINC001272568466 846320932 /nfs/dbraw/zinc/32/09/32/846320932.db2.gz FLJCBKPLHWZRAA-QGZVFWFLSA-N 0 2 309.373 1.481 20 30 DDEDLN Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001274175445 852004947 /nfs/dbraw/zinc/00/49/47/852004947.db2.gz AUROGVCZOJUEHK-DGCLKSJQSA-N 0 2 311.301 1.656 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1ccncc1C#N ZINC001095758793 855321906 /nfs/dbraw/zinc/32/19/06/855321906.db2.gz XWZOXHFXPMGCKA-LLVKDONJSA-N 0 2 318.274 1.796 20 30 DDEDLN CN(CCCNC(=O)[C@@H](F)C(F)(F)F)c1ccncc1C#N ZINC001095758793 855321914 /nfs/dbraw/zinc/32/19/14/855321914.db2.gz XWZOXHFXPMGCKA-LLVKDONJSA-N 0 2 318.274 1.796 20 30 DDEDLN N#CCc1cccc(NS(=O)(=O)c2cccc(C(N)=O)c2)n1 ZINC001413455215 856833249 /nfs/dbraw/zinc/83/32/49/856833249.db2.gz AGQYNSHRIFDXSN-UHFFFAOYSA-N 0 2 316.342 1.047 20 30 DDEDLN N#C[C@@H](C(=O)c1cnn(CCF)c1)c1nc(N)c2ccccc2n1 ZINC001122419495 858802037 /nfs/dbraw/zinc/80/20/37/858802037.db2.gz KZOHHWLANGQLRH-LBPRGKRZSA-N 0 2 324.319 1.868 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2c[nH]nc2C#N)cc1C#N ZINC001361455880 881685957 /nfs/dbraw/zinc/68/59/57/881685957.db2.gz LHRVTSWPJVTMMO-UHFFFAOYSA-N 0 2 300.303 1.228 20 30 DDEDLN Cc1cc(=O)[nH]c(O[C@@H](C[N+](=O)[O-])c2cccnc2)c1C#N ZINC001226221553 882289193 /nfs/dbraw/zinc/28/91/93/882289193.db2.gz MJGHDDXNHPZIGV-LBPRGKRZSA-N 0 2 300.274 1.759 20 30 DDEDLN COCCCNC(=O)C(C#N)=C([O-])c1cn2c(cccc2C)[nH+]1 ZINC001343273196 872561523 /nfs/dbraw/zinc/56/15/23/872561523.db2.gz OAJNHRQDBSQWCG-LBPRGKRZSA-N 0 2 314.345 1.118 20 30 DDEDLN C#CCN(C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC1CC1 ZINC001350459797 875701961 /nfs/dbraw/zinc/70/19/61/875701961.db2.gz CGAORSWGTBWAPM-UHFFFAOYSA-N 0 2 300.366 1.347 20 30 DDEDLN C=C[C@H](CC(=O)OC(C)(C)C)Oc1[nH]c(=O)nc2ncn(C)c21 ZINC001228677282 883614549 /nfs/dbraw/zinc/61/45/49/883614549.db2.gz ORURHEOGNQKNTL-SECBINFHSA-N 0 2 320.349 1.734 20 30 DDEDLN C=CC(C=C)Oc1nc(I)cc(=O)[nH]1 ZINC001228946528 883741642 /nfs/dbraw/zinc/74/16/42/883741642.db2.gz LQNMKJGTYBRRCK-UHFFFAOYSA-N 0 2 304.087 1.906 20 30 DDEDLN C[C@H](CS)Oc1nc(I)cc(=O)[nH]1 ZINC001228951680 883744670 /nfs/dbraw/zinc/74/46/70/883744670.db2.gz ZORPDCKFGLZCBV-SCSAIBSYSA-N 0 2 312.132 1.484 20 30 DDEDLN CN(Cc1ccc(F)c(Cl)c1)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001363739240 887111712 /nfs/dbraw/zinc/11/17/12/887111712.db2.gz WCFRDKNZWLNCHW-UHFFFAOYSA-N 0 2 322.727 1.374 20 30 DDEDLN Cn1c(=O)[nH]c(N[C@@H]2C[C@H]2c2ccc(F)cc2F)c(C#N)c1=O ZINC001365236017 890411161 /nfs/dbraw/zinc/41/11/61/890411161.db2.gz FDTSWXDHIMQSHM-JOYOIKCWSA-N 0 2 318.283 1.191 20 30 DDEDLN O=C(C(F)C(F)(F)F)N1CCN(CCC(F)(F)F)CC1 ZINC001365633160 891215542 /nfs/dbraw/zinc/21/55/42/891215542.db2.gz MWSAHCGMPBJWCK-SSDOTTSWSA-N 0 2 310.213 1.983 20 30 DDEDLN C=C[C@@](C)(O)CNc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001252565881 895285089 /nfs/dbraw/zinc/28/50/89/895285089.db2.gz YYHMAYPCBWTHLI-OAHLLOKOSA-N 0 2 313.317 1.322 20 30 DDEDLN N#Cc1ccccc1OCCCNS(=O)(=O)CC(F)(F)F ZINC001253235020 895744068 /nfs/dbraw/zinc/74/40/68/895744068.db2.gz KJTHVLSDHJKSOM-UHFFFAOYSA-N 0 2 322.308 1.809 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccnc3cccnc32)cc1 ZINC001258038858 898028423 /nfs/dbraw/zinc/02/84/23/898028423.db2.gz DLCLCTVATXJWKF-UHFFFAOYSA-N 0 2 310.338 1.724 20 30 DDEDLN C#CCCCC(=O)N[C@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001299530876 898318037 /nfs/dbraw/zinc/31/80/37/898318037.db2.gz JHBPXIUVBITAQZ-DGCLKSJQSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)N[C@]1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001299530876 898318053 /nfs/dbraw/zinc/31/80/53/898318053.db2.gz JHBPXIUVBITAQZ-DGCLKSJQSA-N 0 2 322.302 1.798 20 30 DDEDLN COC(=O)CS(=O)(=O)Nc1cccc2c(C#N)cccc12 ZINC001259026511 898425073 /nfs/dbraw/zinc/42/50/73/898425073.db2.gz YXJHQBMIPAHOOY-UHFFFAOYSA-N 0 2 304.327 1.626 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2cccc(C#N)c2)nc1OC ZINC001259117806 898475609 /nfs/dbraw/zinc/47/56/09/898475609.db2.gz HWWQIIODOFIXDS-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN COC(=O)c1ccc(NS(=O)(=O)Cc2ccc(C#N)cc2)o1 ZINC001260038751 899022245 /nfs/dbraw/zinc/02/22/45/899022245.db2.gz WKCVHYUZTHAKOR-UHFFFAOYSA-N 0 2 320.326 1.880 20 30 DDEDLN C=CCCCC(=O)NCC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001284990140 909897444 /nfs/dbraw/zinc/89/74/44/909897444.db2.gz SJSUSURCADOMTN-NSHDSACASA-N 0 2 310.291 1.818 20 30 DDEDLN C=CCCCC(=O)NCC1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001284990140 909897458 /nfs/dbraw/zinc/89/74/58/909897458.db2.gz SJSUSURCADOMTN-NSHDSACASA-N 0 2 310.291 1.818 20 30 DDEDLN CC(C)C#CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)C(F)(F)F ZINC001295350218 915735101 /nfs/dbraw/zinc/73/51/01/915735101.db2.gz ZYRSWMUUCWSXTF-SPFNVWMYSA-N 0 2 320.286 1.119 20 30 DDEDLN CC(C)C#CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC001295350218 915735117 /nfs/dbraw/zinc/73/51/17/915735117.db2.gz ZYRSWMUUCWSXTF-SPFNVWMYSA-N 0 2 320.286 1.119 20 30 DDEDLN C=CCC[C@H](CO)NC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000616100288 362546472 /nfs/dbraw/zinc/54/64/72/362546472.db2.gz KIQGQKVTYPOHNY-GFCCVEGCSA-N 0 2 303.318 1.087 20 30 DDEDLN N#Cc1nc(NC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)[n-]c1C#N ZINC000066044568 352974731 /nfs/dbraw/zinc/97/47/31/352974731.db2.gz XQPRWQVFSMIMOJ-LLVKDONJSA-N 0 2 321.344 1.403 20 30 DDEDLN CCOCc1nnc(NS(=O)(=O)c2cccc(CC#N)c2)o1 ZINC000589592149 355003151 /nfs/dbraw/zinc/00/31/51/355003151.db2.gz UVXCLBSOTQXEIK-UHFFFAOYSA-N 0 2 322.346 1.473 20 30 DDEDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC(C#N)C2)=N1 ZINC000590483952 355103966 /nfs/dbraw/zinc/10/39/66/355103966.db2.gz CWESZULMFPSTGP-UHFFFAOYSA-N 0 2 300.293 1.621 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N[C@@H](C#N)CC(C)C)c1 ZINC000591759369 355378807 /nfs/dbraw/zinc/37/88/07/355378807.db2.gz JZTXFQJPUGDOAZ-GTJPDFRWSA-N 0 2 308.403 1.857 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)o3)C2)c1 ZINC000591831300 355392942 /nfs/dbraw/zinc/39/29/42/355392942.db2.gz BWAGPTFWQYIBQK-SNVBAGLBSA-N 0 2 314.301 1.372 20 30 DDEDLN Cc1cc(NCCCc2n[nH]c(=O)[nH]2)cc(C#N)c1[N+](=O)[O-] ZINC000596145298 356790694 /nfs/dbraw/zinc/79/06/94/356790694.db2.gz OIHILGLDFDFOTM-UHFFFAOYSA-N 0 2 302.294 1.643 20 30 DDEDLN Cc1nc(N2CCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)ccc1C#N ZINC000600676504 358279492 /nfs/dbraw/zinc/27/94/92/358279492.db2.gz YSTSZBRKPQGIBU-UHFFFAOYSA-N 0 2 323.356 1.682 20 30 DDEDLN CC(=O)N[C@@H]1C(C)=NN(c2ccc(C#N)c(C(F)(F)F)c2)C1=O ZINC000601941379 358745436 /nfs/dbraw/zinc/74/54/36/358745436.db2.gz VQSOEFAXPHPERM-GFCCVEGCSA-N 0 2 324.262 1.804 20 30 DDEDLN N#C[C@H](c1ccc(F)cc1)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC000611551593 360756677 /nfs/dbraw/zinc/75/66/77/360756677.db2.gz MVQGGQRXCYZVFH-CYBMUJFWSA-N 0 2 316.340 1.032 20 30 DDEDLN C#CCNS(=O)(=O)c1cc(Br)ccc1OC ZINC000008225243 181537195 /nfs/dbraw/zinc/53/71/95/181537195.db2.gz RTLUWZDWNNEIEL-UHFFFAOYSA-N 0 2 304.165 1.369 20 30 DDEDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)nc1 ZINC000339136491 250309274 /nfs/dbraw/zinc/30/92/74/250309274.db2.gz UTBUHSRJFSGFNX-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1cn(C)nc1C ZINC000340802922 251219194 /nfs/dbraw/zinc/21/91/94/251219194.db2.gz ARYNIHQNHJJJJJ-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN Cc1csc(C(C#N)C(=O)CSc2nnnn2C(C)C)n1 ZINC000016453507 406882584 /nfs/dbraw/zinc/88/25/84/406882584.db2.gz XGZLGDNQDJVMJP-SECBINFHSA-N 0 2 322.419 1.988 20 30 DDEDLN Cc1csc([C@H](C#N)C(=O)CSc2nnnn2C(C)C)n1 ZINC000016453507 406882586 /nfs/dbraw/zinc/88/25/86/406882586.db2.gz XGZLGDNQDJVMJP-SECBINFHSA-N 0 2 322.419 1.988 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCS[C@@H](C)[C@H]2C)cc1C#N ZINC000118530241 407920716 /nfs/dbraw/zinc/92/07/16/407920716.db2.gz JJJXUMGOZNNNPN-BDAKNGLRSA-N 0 2 323.443 1.934 20 30 DDEDLN CC(=O)Nc1cccnc1NS(=O)(=O)c1cccc(C#N)c1 ZINC000182023541 408064245 /nfs/dbraw/zinc/06/42/45/408064245.db2.gz YVCXUMWQOJTDSE-UHFFFAOYSA-N 0 2 316.342 1.712 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)C2CCCCCC2)c1 ZINC000408487710 164347375 /nfs/dbraw/zinc/34/73/75/164347375.db2.gz MIQXSOOKQQSCFI-UHFFFAOYSA-N 0 2 307.375 1.729 20 30 DDEDLN CC(C)(C)c1nsc(NS(=O)(=O)c2cncc(C#N)c2)n1 ZINC000357375747 410001232 /nfs/dbraw/zinc/00/12/32/410001232.db2.gz VQBPFRLKXUMIEC-UHFFFAOYSA-N 0 2 323.403 1.325 20 30 DDEDLN CC(C)c1ncc(NS(=O)(=O)c2ccc(C#N)nc2)cn1 ZINC000358492738 410477597 /nfs/dbraw/zinc/47/75/97/410477597.db2.gz GTVUHIFQIKDGHF-UHFFFAOYSA-N 0 2 303.347 1.667 20 30 DDEDLN CC(=O)NCc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)s1 ZINC000343579677 410548236 /nfs/dbraw/zinc/54/82/36/410548236.db2.gz DDVUJCLDLIQSQO-UHFFFAOYSA-N 0 2 314.330 1.103 20 30 DDEDLN Cc1ccc(S(=O)(=O)Nc2ccccc2C#N)cc1C(N)=O ZINC000343788838 410698324 /nfs/dbraw/zinc/69/83/24/410698324.db2.gz JKRHQTUOCBZIDW-UHFFFAOYSA-N 0 2 315.354 1.766 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H](C)[C@@H]2CO)cc1C#N ZINC000331262417 411048472 /nfs/dbraw/zinc/04/84/72/411048472.db2.gz DIHXNFNBXIRTRK-KCJUWKMLSA-N 0 2 307.375 1.224 20 30 DDEDLN CC(=O)Nc1ccc(C)c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000189143129 222036923 /nfs/dbraw/zinc/03/69/23/222036923.db2.gz HRKFFIAPAOVSDZ-UHFFFAOYSA-N 0 2 308.301 1.672 20 30 DDEDLN C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000365126642 418838576 /nfs/dbraw/zinc/83/85/76/418838576.db2.gz DQHOCRAYPARJRI-OLZOCXBDSA-N 0 2 310.313 1.787 20 30 DDEDLN CC(=O)c1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)nc1 ZINC000427773160 419729984 /nfs/dbraw/zinc/72/99/84/419729984.db2.gz YDUQJDQCMBVCPR-UHFFFAOYSA-N 0 2 316.342 1.660 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]([C@@H](C)O)C2)cc1C#N ZINC000533016162 421667803 /nfs/dbraw/zinc/66/78/03/421667803.db2.gz NQKPHLIATSHWDW-NXEZZACHSA-N 0 2 321.402 1.614 20 30 DDEDLN C=CC[C@@H]1CCN(C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000627734741 421865406 /nfs/dbraw/zinc/86/54/06/421865406.db2.gz BCYUCEJZCUPDFQ-SNVBAGLBSA-N 0 2 322.434 1.621 20 30 DDEDLN Cc1[nH]nc(NC(=O)c2ccc(C(F)(F)F)cc2O)c1C#N ZINC000588714727 422315016 /nfs/dbraw/zinc/31/50/16/422315016.db2.gz VDXNVCNIXFVRHS-UHFFFAOYSA-N 0 2 310.235 2.567 20 30 DDEDLN CCOc1ccc(C(C)=O)cc1Cn1c(=O)[nH]cc(C#N)c1=O ZINC000521435039 267169260 /nfs/dbraw/zinc/16/92/60/267169260.db2.gz LSGAHYDBJQXWPL-UHFFFAOYSA-N 0 2 313.313 1.058 20 30 DDEDLN Cc1cc(=O)c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cn1C1CC1 ZINC000351298254 267301870 /nfs/dbraw/zinc/30/18/70/267301870.db2.gz IHUNEUZNAKYVFR-UHFFFAOYSA-N 0 2 308.301 1.210 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCOC[C@H]2C2CC2)cc1C#N ZINC000089978019 281031151 /nfs/dbraw/zinc/03/11/51/281031151.db2.gz ODGAVEPOMYGQJQ-LBPRGKRZSA-N 0 2 319.386 1.632 20 30 DDEDLN COCCOc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000171862679 298237531 /nfs/dbraw/zinc/23/75/31/298237531.db2.gz YHABDCPAFYTRFN-UHFFFAOYSA-N 0 2 311.301 1.431 20 30 DDEDLN Cc1nc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)ccc1C#N ZINC000536097620 303355897 /nfs/dbraw/zinc/35/58/97/303355897.db2.gz CLEIFBXZVMDNFQ-UHFFFAOYSA-N 0 2 312.333 1.105 20 30 DDEDLN N#C[C@@H](C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccncn1 ZINC000546152473 341154798 /nfs/dbraw/zinc/15/47/98/341154798.db2.gz AUOXQDYNBVALFS-SECBINFHSA-N 0 2 312.241 1.604 20 30 DDEDLN C=CCOCCNC(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000679647896 485960445 /nfs/dbraw/zinc/96/04/45/485960445.db2.gz FRWHOULTSIHLOZ-UHFFFAOYSA-N 0 2 317.345 1.519 20 30 DDEDLN C=CCOc1cccc(-n2c(O)c(C(=O)OCC)[nH]c2=O)c1 ZINC000445995808 526905014 /nfs/dbraw/zinc/90/50/14/526905014.db2.gz VDJSDFMUFYMODW-LBPRGKRZSA-N 0 2 304.302 1.239 20 30 DDEDLN CC(C)C[C@H](CO)NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000330860987 528533250 /nfs/dbraw/zinc/53/32/50/528533250.db2.gz WKHSRWZSNVNOAY-SECBINFHSA-N 0 2 300.428 1.990 20 30 DDEDLN C[C@](C#N)(CC(=O)[O-])C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000819821634 597628268 /nfs/dbraw/zinc/62/82/68/597628268.db2.gz IVSVGEYGIRBDKP-OAHLLOKOSA-N 0 2 321.402 1.397 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2NCC1(C(=O)[O-])CCCC1 ZINC000833065751 601379536 /nfs/dbraw/zinc/37/95/36/601379536.db2.gz HEYOWTBPIWVVEN-UHFFFAOYSA-N 0 2 314.349 1.797 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+](C)[C@H](C)CC#N ZINC000831918487 602348569 /nfs/dbraw/zinc/34/85/69/602348569.db2.gz NHANNCWSBQCGLD-YPMHNXCESA-N 0 2 322.361 1.367 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+](C)[C@H](C)CC#N ZINC000831918487 602348571 /nfs/dbraw/zinc/34/85/71/602348571.db2.gz NHANNCWSBQCGLD-YPMHNXCESA-N 0 2 322.361 1.367 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000825359751 604597384 /nfs/dbraw/zinc/59/73/84/604597384.db2.gz MNCAZBXJZSSPJB-IUODEOHRSA-N 0 2 319.361 1.446 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000825359751 604597387 /nfs/dbraw/zinc/59/73/87/604597387.db2.gz MNCAZBXJZSSPJB-IUODEOHRSA-N 0 2 319.361 1.446 20 30 DDEDLN CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833395842 604603943 /nfs/dbraw/zinc/60/39/43/604603943.db2.gz CTSRDFLCWWIPQO-CYBMUJFWSA-N 0 2 301.346 1.357 20 30 DDEDLN CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)[O-])c2C#N)C1 ZINC000833395842 604603946 /nfs/dbraw/zinc/60/39/46/604603946.db2.gz CTSRDFLCWWIPQO-CYBMUJFWSA-N 0 2 301.346 1.357 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000825354135 604606582 /nfs/dbraw/zinc/60/65/82/604606582.db2.gz ZNLSLYJQDXDNGW-SWLSCSKDSA-N 0 2 319.361 1.294 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000825354135 604606583 /nfs/dbraw/zinc/60/65/83/604606583.db2.gz ZNLSLYJQDXDNGW-SWLSCSKDSA-N 0 2 319.361 1.294 20 30 DDEDLN CCS(=O)(=O)CC[N@H+](C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833665348 604784002 /nfs/dbraw/zinc/78/40/02/604784002.db2.gz HBCKIQXKXRXLND-ZDUSSCGKSA-N 0 2 310.375 1.050 20 30 DDEDLN CCS(=O)(=O)CC[N@@H+](C)[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000833665348 604784007 /nfs/dbraw/zinc/78/40/07/604784007.db2.gz HBCKIQXKXRXLND-ZDUSSCGKSA-N 0 2 310.375 1.050 20 30 DDEDLN C=CC[N@@H+](CCc1ccco1)CN1C[C@H](NC(=O)[O-])CC1=O ZINC000833787801 605996789 /nfs/dbraw/zinc/99/67/89/605996789.db2.gz CUCYTGLCGIISOX-GFCCVEGCSA-N 0 2 307.350 1.136 20 30 DDEDLN C=CC[N@H+](CCc1ccco1)CN1C[C@H](NC(=O)[O-])CC1=O ZINC000833787801 605996791 /nfs/dbraw/zinc/99/67/91/605996791.db2.gz CUCYTGLCGIISOX-GFCCVEGCSA-N 0 2 307.350 1.136 20 30 DDEDLN Clc1cc(-c2nn[nH]n2)cc(NN=Cc2ccncc2)n1 ZINC000826350083 608541138 /nfs/dbraw/zinc/54/11/38/608541138.db2.gz HNTRIYXRTBJZKK-UHFFFAOYSA-N 0 2 300.713 1.756 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCSc1ccccn1 ZINC000122626878 696723898 /nfs/dbraw/zinc/72/38/98/696723898.db2.gz HTYSDNOWVDKPLI-LLVKDONJSA-N 0 2 314.370 1.889 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CSC[C@H]1CCCCO1 ZINC000123020304 696727641 /nfs/dbraw/zinc/72/76/41/696727641.db2.gz WSSQZKMNDCHAEB-VXGBXAGGSA-N 0 2 321.402 1.614 20 30 DDEDLN Cc1cccc2[nH]c([C@H](C#N)C(=O)[C@H](C)n3cnc(C#N)n3)nc21 ZINC000798831417 700100222 /nfs/dbraw/zinc/10/02/22/700100222.db2.gz IKXUCCPYTDWBLU-WDEREUQCSA-N 0 2 319.328 1.772 20 30 DDEDLN Cc1cccc2nc([C@H](C#N)C(=O)[C@H](C)n3cnc(C#N)n3)[nH]c21 ZINC000798831417 700100224 /nfs/dbraw/zinc/10/02/24/700100224.db2.gz IKXUCCPYTDWBLU-WDEREUQCSA-N 0 2 319.328 1.772 20 30 DDEDLN CC(C)(CNN=Cc1ccc(O)c([N+](=O)[O-])c1)S(C)(=O)=O ZINC000774489160 697885796 /nfs/dbraw/zinc/88/57/96/697885796.db2.gz SUTMILXMPGSWNJ-UHFFFAOYSA-N 0 2 315.351 1.047 20 30 DDEDLN CC#CC[N@@H+]1CCCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000989473575 698634886 /nfs/dbraw/zinc/63/48/86/698634886.db2.gz AJHMVKGYHJLUCL-UHFFFAOYSA-N 0 2 314.345 1.100 20 30 DDEDLN CC#CC[N@H+]1CCCN(C(=O)c2ccc3oc(=O)nc-3[n-]2)CC1 ZINC000989473575 698634888 /nfs/dbraw/zinc/63/48/88/698634888.db2.gz AJHMVKGYHJLUCL-UHFFFAOYSA-N 0 2 314.345 1.100 20 30 DDEDLN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cnc[nH]2)C1=O ZINC000725878786 699337020 /nfs/dbraw/zinc/33/70/20/699337020.db2.gz PMZRQZHMMZTFSQ-OAHLLOKOSA-N 0 2 321.381 1.726 20 30 DDEDLN CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2c[nH+]c[nH]2)C1=O ZINC000725878786 699337026 /nfs/dbraw/zinc/33/70/26/699337026.db2.gz PMZRQZHMMZTFSQ-OAHLLOKOSA-N 0 2 321.381 1.726 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2CCCOC2)n1 ZINC000727958131 699433785 /nfs/dbraw/zinc/43/37/85/699433785.db2.gz YROIZHAEFCFENE-UWVGGRQHSA-N 0 2 308.359 1.923 20 30 DDEDLN C=CCOc1cccc(NC(=O)CC2SC(=N)NC2=O)c1 ZINC000742577813 699882704 /nfs/dbraw/zinc/88/27/04/699882704.db2.gz CKIMOGSVJJZPGQ-NSHDSACASA-N 0 2 305.359 1.746 20 30 DDEDLN N#CC(C(=O)[C@H]1CCCCN1C(=O)c1ccco1)c1ccncn1 ZINC000760339414 700803207 /nfs/dbraw/zinc/80/32/07/700803207.db2.gz JEUBEDJSNLQDIG-TZMCWYRMSA-N 0 2 324.340 1.941 20 30 DDEDLN Cn1c(=O)c2ccc(C(=O)OCC3(C#N)CC3)cc2[nH]c1=S ZINC000802993122 701074795 /nfs/dbraw/zinc/07/47/95/701074795.db2.gz YWTXMSZMZMIING-UHFFFAOYSA-N 0 2 315.354 1.683 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCNC(=O)OC(C)(C)C ZINC000770871515 701298515 /nfs/dbraw/zinc/29/85/15/701298515.db2.gz NPKLUODFQALMOC-JTQLQIEISA-N 0 2 320.349 1.226 20 30 DDEDLN Cc1cc(C(C#N)C(=O)CO[C@@H](C)c2nccn2C)nc(C)n1 ZINC000805852443 701413231 /nfs/dbraw/zinc/41/32/31/701413231.db2.gz CFFKUAWAPIUYML-AAEUAGOBSA-N 0 2 313.361 1.781 20 30 DDEDLN N#Cc1cnc(N2CC(CNC(=O)C(F)(F)F)C2)c(F)c1 ZINC000866293811 706666980 /nfs/dbraw/zinc/66/69/80/706666980.db2.gz COFGARIMLJLPGW-UHFFFAOYSA-N 0 2 302.231 1.207 20 30 DDEDLN CC(C)c1ccc([C@@H](C)NN=C2C(=O)NC(=O)NC2=O)cc1 ZINC000814217723 702497714 /nfs/dbraw/zinc/49/77/14/702497714.db2.gz GIPZACWDIALQOO-SECBINFHSA-N 0 2 302.334 1.183 20 30 DDEDLN C=C(Br)C[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000846282797 703261294 /nfs/dbraw/zinc/26/12/94/703261294.db2.gz BYDPXURYPJJTOK-VIFPVBQESA-N 0 2 315.171 1.522 20 30 DDEDLN C=C(Br)C[N@@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000846282797 703261296 /nfs/dbraw/zinc/26/12/96/703261296.db2.gz BYDPXURYPJJTOK-VIFPVBQESA-N 0 2 315.171 1.522 20 30 DDEDLN N#Cc1ccc(F)c(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)c1 ZINC000847088452 703376274 /nfs/dbraw/zinc/37/62/74/703376274.db2.gz AHZDXNQSVYCNKM-JTQLQIEISA-N 0 2 316.292 1.806 20 30 DDEDLN CCO[C@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C1CCCC1 ZINC000870244177 703971602 /nfs/dbraw/zinc/97/16/02/703971602.db2.gz VUBVHELJZZWPFD-WFASDCNBSA-N 0 2 303.362 1.907 20 30 DDEDLN CCO[C@@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C1CCCC1 ZINC000870244173 703971625 /nfs/dbraw/zinc/97/16/25/703971625.db2.gz VUBVHELJZZWPFD-IUODEOHRSA-N 0 2 303.362 1.907 20 30 DDEDLN N#Cc1ccc(SCC(=O)NOCCN2CCCC2=O)cc1 ZINC000856039798 704511011 /nfs/dbraw/zinc/51/10/11/704511011.db2.gz IPGBNPLVENEIJL-UHFFFAOYSA-N 0 2 319.386 1.321 20 30 DDEDLN C=CCOC[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)C(=O)[O-] ZINC000901808091 710152400 /nfs/dbraw/zinc/15/24/00/710152400.db2.gz AXEVKMKLQRQQEH-CQSZACIVSA-N 0 2 302.334 1.013 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1nccnc1C#N ZINC001100748485 736764365 /nfs/dbraw/zinc/76/43/65/736764365.db2.gz WCWAPLQYLNWTQZ-VIFPVBQESA-N 0 2 319.262 1.191 20 30 DDEDLN CCN(CCNC(=O)[C@H](F)C(F)(F)F)c1nccnc1C#N ZINC001100748485 736764370 /nfs/dbraw/zinc/76/43/70/736764370.db2.gz WCWAPLQYLNWTQZ-VIFPVBQESA-N 0 2 319.262 1.191 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)CNc1nccnc1C#N ZINC001104236733 732734770 /nfs/dbraw/zinc/73/47/70/732734770.db2.gz IFBJNCOKAKQDRT-APPZFPTMSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)CNc1nccnc1C#N ZINC001104236733 732734774 /nfs/dbraw/zinc/73/47/74/732734774.db2.gz IFBJNCOKAKQDRT-APPZFPTMSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)CNc1cncc(C#N)n1 ZINC001104237428 732738103 /nfs/dbraw/zinc/73/81/03/732738103.db2.gz XYXOMGDJBRFRCS-XVKPBYJWSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)CNc1cncc(C#N)n1 ZINC001104237428 732738115 /nfs/dbraw/zinc/73/81/15/732738115.db2.gz XYXOMGDJBRFRCS-XVKPBYJWSA-N 0 2 319.262 1.413 20 30 DDEDLN C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638010 733392334 /nfs/dbraw/zinc/39/23/34/733392334.db2.gz GOPUDFZOHJGASC-HZPDHXFCSA-N 0 2 314.433 1.299 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)Cc2cccc(F)c2F)CCC1=O ZINC001189438435 744898765 /nfs/dbraw/zinc/89/87/65/744898765.db2.gz DHWJWFIZWIGFSE-JTQLQIEISA-N 0 2 314.313 1.209 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)Cc2cc(F)ccc2F)CCC1=O ZINC001189677992 744943829 /nfs/dbraw/zinc/94/38/29/744943829.db2.gz CXKPQLRXIKXKJZ-SNVBAGLBSA-N 0 2 314.313 1.209 20 30 DDEDLN N#Cc1nc(N)c(NC(=O)c2cc(F)c(O)cc2F)nc1C#N ZINC001192852627 745916670 /nfs/dbraw/zinc/91/66/70/745916670.db2.gz IHZVNCSCJZYAJZ-UHFFFAOYSA-N 0 2 316.227 1.038 20 30 DDEDLN N#Cc1cc(C(=O)Nc2ccc3nc(CO)[nH]c3c2)ccc1O ZINC001193506791 746128636 /nfs/dbraw/zinc/12/86/36/746128636.db2.gz YBSBRCGZDBUVRD-UHFFFAOYSA-N 0 2 308.297 1.885 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2cc(N)ccc2OCCO)c1O ZINC001193652300 746166608 /nfs/dbraw/zinc/16/66/08/746166608.db2.gz CRZUTZVLWYUELH-UHFFFAOYSA-N 0 2 313.313 1.469 20 30 DDEDLN C[C@H](CNc1ccc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001108170576 753341520 /nfs/dbraw/zinc/34/15/20/753341520.db2.gz JMHNZAQNKMTQFN-XCBNKYQSSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@H](CNc1ccc(C#N)cn1)NC(=O)[C@H](F)C(F)(F)F ZINC001108170576 753341524 /nfs/dbraw/zinc/34/15/24/753341524.db2.gz JMHNZAQNKMTQFN-XCBNKYQSSA-N 0 2 304.247 1.770 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)nn1 ZINC001097106153 771625943 /nfs/dbraw/zinc/62/59/43/771625943.db2.gz JQFKXBSQUTXZQF-NRPADANISA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)nn1 ZINC001097106153 771625945 /nfs/dbraw/zinc/62/59/45/771625945.db2.gz JQFKXBSQUTXZQF-NRPADANISA-N 0 2 317.246 1.308 20 30 DDEDLN C[C@@H](CCNC(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001099742631 775210792 /nfs/dbraw/zinc/21/07/92/775210792.db2.gz VLFQDZSFWKDNBZ-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNC(=O)[C@@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001099742631 775210806 /nfs/dbraw/zinc/21/08/06/775210806.db2.gz VLFQDZSFWKDNBZ-OIBJUYFYSA-N 0 2 319.262 1.555 20 30 DDEDLN Cc1cc(NCCN(C)C(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001102003106 777787160 /nfs/dbraw/zinc/78/71/60/777787160.db2.gz KWGRPLQXPREYNP-LLVKDONJSA-N 0 2 318.274 1.454 20 30 DDEDLN Cc1cc(NCCN(C)C(=O)[C@@H](F)C(F)(F)F)c(C#N)cn1 ZINC001102003106 777787166 /nfs/dbraw/zinc/78/71/66/777787166.db2.gz KWGRPLQXPREYNP-LLVKDONJSA-N 0 2 318.274 1.454 20 30 DDEDLN CC[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001103340466 778800436 /nfs/dbraw/zinc/80/04/36/778800436.db2.gz DIBRBLCYTIPGPO-GXSJLCMTSA-N 0 2 318.274 1.582 20 30 DDEDLN CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001103340466 778800446 /nfs/dbraw/zinc/80/04/46/778800446.db2.gz DIBRBLCYTIPGPO-GXSJLCMTSA-N 0 2 318.274 1.582 20 30 DDEDLN C=CCCCC(=O)N1CC(N(C)C(=O)[C@H](F)C(F)(F)F)C1 ZINC001299364485 852534440 /nfs/dbraw/zinc/53/44/40/852534440.db2.gz GIKKTZLWVSFIBH-NSHDSACASA-N 0 2 310.291 1.912 20 30 DDEDLN C=CCCCC(=O)N1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001299364485 852534431 /nfs/dbraw/zinc/53/44/31/852534431.db2.gz GIKKTZLWVSFIBH-NSHDSACASA-N 0 2 310.291 1.912 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCCC2)[C@@H](C)C1 ZINC001123944545 859487981 /nfs/dbraw/zinc/48/79/81/859487981.db2.gz ZIBNHUIMSFQWCT-RDJZCZTQSA-N 0 2 303.450 1.559 20 30 DDEDLN C=CCO[C@H]1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC001324316489 867199126 /nfs/dbraw/zinc/19/91/26/867199126.db2.gz PKJLGVIEKBKZHJ-AWEZNQCLSA-N 0 2 313.357 1.995 20 30 DDEDLN Cn1c(=O)[nH]c(Nc2ccc(N3CCCC3)cc2)c(C#N)c1=O ZINC001336958076 869234901 /nfs/dbraw/zinc/23/49/01/869234901.db2.gz KJVXFRJHJAMVFI-UHFFFAOYSA-N 0 2 311.345 1.289 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC[C@@H](C#N)C1 ZINC001339091313 870343126 /nfs/dbraw/zinc/34/31/26/870343126.db2.gz RRXVXJZTGIPMNJ-VIFPVBQESA-N 0 2 318.772 1.643 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CC[C@@H](OC)C1 ZINC001340331748 871041296 /nfs/dbraw/zinc/04/12/96/871041296.db2.gz PGRXXNYQIUKKGP-LLVKDONJSA-N 0 2 318.381 1.278 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CC[C@@H](C)C1 ZINC001342025725 871957976 /nfs/dbraw/zinc/95/79/76/871957976.db2.gz HOIUELORNFRRKG-LLVKDONJSA-N 0 2 302.382 1.899 20 30 DDEDLN C#C[C@@H](C)N(C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC(C)C ZINC001342807560 872393775 /nfs/dbraw/zinc/39/37/75/872393775.db2.gz SFZOWLPVRARHCF-GFCCVEGCSA-N 0 2 316.409 1.981 20 30 DDEDLN Cn1ccnc1[C@H](C#N)C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001342926338 872439217 /nfs/dbraw/zinc/43/92/17/872439217.db2.gz YDHPOQDDDCCIHU-WBMJQRKESA-N 0 2 300.362 1.293 20 30 DDEDLN N#C[C@@H](C(=O)[C@@H]1CCCN(C2CC2)C1=O)c1cccc(F)n1 ZINC001342958863 872451490 /nfs/dbraw/zinc/45/14/90/872451490.db2.gz KMRNOERTRXQWJP-NWDGAFQWSA-N 0 2 301.321 1.798 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cccc([S@@](C)=O)c1 ZINC001361938562 882675584 /nfs/dbraw/zinc/67/55/84/882675584.db2.gz AHGJQJOFQPLZKR-JOCHJYFZSA-N 0 2 315.354 1.957 20 30 DDEDLN CC(C)C#CC(=O)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001348221408 874432041 /nfs/dbraw/zinc/43/20/41/874432041.db2.gz SUXDJVSCPFRLQG-LLVKDONJSA-N 0 2 308.275 1.217 20 30 DDEDLN CC(C)C#CC(=O)N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001348221408 874432051 /nfs/dbraw/zinc/43/20/51/874432051.db2.gz SUXDJVSCPFRLQG-LLVKDONJSA-N 0 2 308.275 1.217 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCOC(C)(C)C1 ZINC001352093778 876594967 /nfs/dbraw/zinc/59/49/67/876594967.db2.gz OHAQQTCVAKXFQU-UHFFFAOYSA-N 0 2 323.788 1.518 20 30 DDEDLN CCOC(=O)C[C@@H](CC#N)Oc1[nH]c(=O)nc2cccnc21 ZINC001228007696 883283655 /nfs/dbraw/zinc/28/36/55/883283655.db2.gz MEJYOFXUGMKVEW-SECBINFHSA-N 0 2 302.290 1.345 20 30 DDEDLN N#Cc1sccc1C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC001363016748 885238030 /nfs/dbraw/zinc/23/80/30/885238030.db2.gz CMOQEKPBYXGWHH-QMMMGPOBSA-N 0 2 304.331 1.728 20 30 DDEDLN Cc1cccc(C#N)c1S(=O)(=O)Nc1nnn(C(C)C)n1 ZINC001365465179 890843007 /nfs/dbraw/zinc/84/30/07/890843007.db2.gz ICTKQGWDBBQLFS-UHFFFAOYSA-N 0 2 306.351 1.235 20 30 DDEDLN C#Cc1nccnc1NS(=O)(=O)CCc1ccccc1F ZINC001259780500 898796527 /nfs/dbraw/zinc/79/65/27/898796527.db2.gz GWVHXSGMOVZZOJ-UHFFFAOYSA-N 0 2 305.334 1.581 20 30 DDEDLN C[C@H](NC(=O)C(F)C(F)(F)F)C1CN(C(=O)C#CC2CC2)C1 ZINC001280635402 903868924 /nfs/dbraw/zinc/86/89/24/903868924.db2.gz HWQPXOZTCLFJOF-QPUJVOFHSA-N 0 2 320.286 1.263 20 30 DDEDLN C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1CN(C(=O)C#CC2CC2)C1 ZINC001280635402 903868934 /nfs/dbraw/zinc/86/89/34/903868934.db2.gz HWQPXOZTCLFJOF-QPUJVOFHSA-N 0 2 320.286 1.263 20 30 DDEDLN C#CC[N@@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001284055767 908405256 /nfs/dbraw/zinc/40/52/56/908405256.db2.gz CAVXDCAGXMKWFR-PBHICJAKSA-N 0 2 300.406 1.099 20 30 DDEDLN CC#CCCCC(=O)NC/C=C\CNC(=O)C(F)C(F)(F)F ZINC001285567323 910802574 /nfs/dbraw/zinc/80/25/74/910802574.db2.gz CERKSBPJQZXRGT-DGMVEKRQSA-N 0 2 322.302 1.869 20 30 DDEDLN CC#CCCCC(=O)NC/C=C\CNC(=O)[C@H](F)C(F)(F)F ZINC001285567323 910802584 /nfs/dbraw/zinc/80/25/84/910802584.db2.gz CERKSBPJQZXRGT-DGMVEKRQSA-N 0 2 322.302 1.869 20 30 DDEDLN C#CCCCC(=O)NC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001285936227 911470403 /nfs/dbraw/zinc/47/04/03/911470403.db2.gz HSNCGPAORNDTON-JTQLQIEISA-N 0 2 308.275 1.455 20 30 DDEDLN C#CCCCC(=O)NC1(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001285936227 911470414 /nfs/dbraw/zinc/47/04/14/911470414.db2.gz HSNCGPAORNDTON-JTQLQIEISA-N 0 2 308.275 1.455 20 30 DDEDLN CC#CCCCC(=O)N1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001286018200 911577186 /nfs/dbraw/zinc/57/71/86/911577186.db2.gz XNPUKHPEYUVHQE-LBPRGKRZSA-N 0 2 322.302 1.750 20 30 DDEDLN CC#CCCCC(=O)N1CC(N(C)C(=O)[C@H](F)C(F)(F)F)C1 ZINC001286018200 911577204 /nfs/dbraw/zinc/57/72/04/911577204.db2.gz XNPUKHPEYUVHQE-LBPRGKRZSA-N 0 2 322.302 1.750 20 30 DDEDLN O=C(CN1CSCC1=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000076687190 185031625 /nfs/dbraw/zinc/03/16/25/185031625.db2.gz ZOAMJTRGDBACHC-UHFFFAOYSA-N 0 2 321.337 1.732 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1c[nH]cc(Br)c1=O ZINC000416945976 529588552 /nfs/dbraw/zinc/58/85/52/529588552.db2.gz FQCWJIPUHZBLND-ZCFIWIBFSA-N 0 2 320.168 1.181 20 30 DDEDLN Cc1nc(-c2ccccc2)sc1C(=O)NC1=NC(=O)CN1 ZINC000050222428 352564232 /nfs/dbraw/zinc/56/42/32/352564232.db2.gz WNBBXBMTJAUPDG-UHFFFAOYSA-N 0 2 300.343 1.909 20 30 DDEDLN COc1ccc(C(=O)NC2=NC(=O)CN2)cc1Br ZINC000050222384 352564568 /nfs/dbraw/zinc/56/45/68/352564568.db2.gz AXNJHYDDENVURX-UHFFFAOYSA-N 0 2 312.123 1.248 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)C[C@H](O)C2CC2)cc1C#N ZINC000611169709 360644284 /nfs/dbraw/zinc/64/42/84/360644284.db2.gz RDUUBAFECAPYEB-NSHDSACASA-N 0 2 307.375 1.224 20 30 DDEDLN N#C[C@]1(NC(=O)c2cc(F)c(F)c(O)c2F)CCSC1 ZINC000612534482 361056137 /nfs/dbraw/zinc/05/61/37/361056137.db2.gz LTHCGSIQKZPIKG-GFCCVEGCSA-N 0 2 302.277 1.939 20 30 DDEDLN CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)cc1 ZINC000051953551 407145309 /nfs/dbraw/zinc/14/53/09/407145309.db2.gz SFFCWAOJLKLBOJ-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN COCCOc1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000053799812 407173235 /nfs/dbraw/zinc/17/32/35/407173235.db2.gz NZTSCFLMJCMCMN-UHFFFAOYSA-N 0 2 311.301 1.431 20 30 DDEDLN N#CC1(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)CCOCC1 ZINC000126612000 407417452 /nfs/dbraw/zinc/41/74/52/407417452.db2.gz USIJEJVZZJTVCX-UHFFFAOYSA-N 0 2 315.308 1.870 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C)nn1C ZINC000185609192 407460788 /nfs/dbraw/zinc/46/07/88/407460788.db2.gz OURDYNZZSXAIRU-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN C=CCN(Cc1ccccc1)C(=O)CSc1n[nH]c(=O)[nH]1 ZINC000187055400 407814221 /nfs/dbraw/zinc/81/42/21/407814221.db2.gz DLLOTBNHLWPKSZ-UHFFFAOYSA-N 0 2 304.375 1.405 20 30 DDEDLN CN(C)c1ncccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000187733549 407882916 /nfs/dbraw/zinc/88/29/16/407882916.db2.gz RJOSAFBYIZKKQG-UHFFFAOYSA-N 0 2 303.347 1.215 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C)CC#N)=N2)cc1 ZINC000180994648 407941901 /nfs/dbraw/zinc/94/19/01/407941901.db2.gz ZXSLXWMEMATUQZ-JTQLQIEISA-N 0 2 300.318 1.618 20 30 DDEDLN C[C@@H]1CCC[C@@H](CC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000408489353 164347836 /nfs/dbraw/zinc/34/78/36/164347836.db2.gz RSUIYUDRLJEEBY-VXGBXAGGSA-N 0 2 321.402 1.975 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2CSC[C@@H]2C)cc1C#N ZINC000342466699 409654557 /nfs/dbraw/zinc/65/45/57/409654557.db2.gz PWUFXZFEKRKOJO-XVKPBYJWSA-N 0 2 309.416 1.862 20 30 DDEDLN C/C=C/C[C@@H](CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000354179654 409723886 /nfs/dbraw/zinc/72/38/86/409723886.db2.gz DQYROMMHYCWCBM-FSIBCCDJSA-N 0 2 307.375 1.438 20 30 DDEDLN N#Cc1nc(NC(=O)c2csc(-c3cnccn3)n2)[nH]c1C#N ZINC000343027993 410084420 /nfs/dbraw/zinc/08/44/20/410084420.db2.gz DGWMPANXPRTKES-UHFFFAOYSA-N 0 2 322.313 1.319 20 30 DDEDLN CNC(=O)C[C@H]1S/C(=N/c2ccccc2)N(C2CC2)C1=O ZINC000298182224 410123797 /nfs/dbraw/zinc/12/37/97/410123797.db2.gz DOKDZQOMPJKDLV-OPGVCCBYSA-N 0 2 303.387 1.917 20 30 DDEDLN CNC(=O)CC1S/C(=N/c2ccccc2)N(C2CC2)C1=O ZINC000298182224 410123800 /nfs/dbraw/zinc/12/38/00/410123800.db2.gz DOKDZQOMPJKDLV-OPGVCCBYSA-N 0 2 303.387 1.917 20 30 DDEDLN N#Cc1c(C#N)c2c(nc1NCc1n[nH]c(=O)[nH]1)CCCCCC2 ZINC000359530604 410713521 /nfs/dbraw/zinc/71/35/21/410713521.db2.gz HZXNEJVAXPFPMP-UHFFFAOYSA-N 0 2 323.360 1.920 20 30 DDEDLN COC(=O)c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 ZINC000359831588 410904873 /nfs/dbraw/zinc/90/48/73/410904873.db2.gz KUQGTPXKKIYYRP-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C#N)cn1 ZINC000362868541 418760309 /nfs/dbraw/zinc/76/03/09/418760309.db2.gz QAPDLGJMMXDQLO-UHFFFAOYSA-N 0 2 323.761 2.416 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N(C)CC(C)(C)C#N)c1 ZINC000424854416 228325134 /nfs/dbraw/zinc/32/51/34/228325134.db2.gz WRCNXZYKDRIRFY-OAQYLSRUSA-N 0 2 308.403 1.811 20 30 DDEDLN C=CCC[C@@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000456762549 420539529 /nfs/dbraw/zinc/53/95/29/420539529.db2.gz CFHFYYKSMXDFRP-LBPRGKRZSA-N 0 2 319.336 1.774 20 30 DDEDLN C=CC[N@H+](Cc1ccccc1F)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662201682 424466014 /nfs/dbraw/zinc/46/60/14/424466014.db2.gz KGVVBHFFMLYXPV-CQSZACIVSA-N 0 2 306.337 1.499 20 30 DDEDLN C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000662201682 424466021 /nfs/dbraw/zinc/46/60/21/424466021.db2.gz KGVVBHFFMLYXPV-CQSZACIVSA-N 0 2 306.337 1.499 20 30 DDEDLN C=C(C)CS(=O)(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000655662143 424617627 /nfs/dbraw/zinc/61/76/27/424617627.db2.gz NZDQNXGZYQDVEG-VHSXEESVSA-N 0 2 301.330 1.982 20 30 DDEDLN CN(Cc1ccc(C#N)cc1)C(=O)CSc1n[nH]c(=O)[nH]1 ZINC000361918239 266563532 /nfs/dbraw/zinc/56/35/32/266563532.db2.gz FQMSJNGNCHFIFD-UHFFFAOYSA-N 0 2 303.347 1.133 20 30 DDEDLN N#Cc1ccc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)c(Cl)c1 ZINC000517484791 268219913 /nfs/dbraw/zinc/21/99/13/268219913.db2.gz VAEKSYYJOGBBQX-OAHLLOKOSA-N 0 2 318.764 1.386 20 30 DDEDLN N#Cc1cscc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000575061944 304710411 /nfs/dbraw/zinc/71/04/11/304710411.db2.gz UBMSUMDSGYIPAZ-MRVPVSSYSA-N 0 2 303.347 1.463 20 30 DDEDLN N#CCc1ccc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000556791284 331732873 /nfs/dbraw/zinc/73/28/73/331732873.db2.gz OBVZHZPKXUGNNY-UHFFFAOYSA-N 0 2 311.345 1.596 20 30 DDEDLN C=CCN1CC[C@H](N(C)C(=O)c2c(O)cc(F)cc2F)C1=O ZINC000684987256 486479102 /nfs/dbraw/zinc/47/91/02/486479102.db2.gz DEMDFTDLTUDLLL-NSHDSACASA-N 0 2 310.300 1.529 20 30 DDEDLN C[C@@H](OCCc1ccccc1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000294970313 533890286 /nfs/dbraw/zinc/89/02/86/533890286.db2.gz XJCJDPKROJLENO-LLVKDONJSA-N 0 2 309.329 1.739 20 30 DDEDLN N#Cc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000821329861 597430121 /nfs/dbraw/zinc/43/01/21/597430121.db2.gz NBFRTWSRXHGTLE-AWEZNQCLSA-N 0 2 301.346 1.114 20 30 DDEDLN N#Cc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000821329861 597430123 /nfs/dbraw/zinc/43/01/23/597430123.db2.gz NBFRTWSRXHGTLE-AWEZNQCLSA-N 0 2 301.346 1.114 20 30 DDEDLN C=CCn1c(C2CC2)nn(C[N@H+]2CC[C@@H](C(=O)[O-])C2)c1=S ZINC000817689913 597536877 /nfs/dbraw/zinc/53/68/77/597536877.db2.gz GPMRPJURXVMYNH-LLVKDONJSA-N 0 2 308.407 1.841 20 30 DDEDLN C=CCn1c(C2CC2)nn(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)c1=S ZINC000817689913 597536879 /nfs/dbraw/zinc/53/68/79/597536879.db2.gz GPMRPJURXVMYNH-LLVKDONJSA-N 0 2 308.407 1.841 20 30 DDEDLN C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)C(=O)[O-] ZINC000737395173 600307389 /nfs/dbraw/zinc/30/73/89/600307389.db2.gz QBFJOONNMPKFJP-UHFFFAOYSA-N 0 2 309.753 1.945 20 30 DDEDLN C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)C(=O)[O-] ZINC000737395173 600307392 /nfs/dbraw/zinc/30/73/92/600307392.db2.gz QBFJOONNMPKFJP-UHFFFAOYSA-N 0 2 309.753 1.945 20 30 DDEDLN C#CC[N@@H+](CC)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000825614413 601009674 /nfs/dbraw/zinc/00/96/74/601009674.db2.gz NKSSRLBMWBHHDD-UHFFFAOYSA-N 0 2 306.387 1.829 20 30 DDEDLN C#CC[N@H+](CC)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000825614413 601009678 /nfs/dbraw/zinc/00/96/78/601009678.db2.gz NKSSRLBMWBHHDD-UHFFFAOYSA-N 0 2 306.387 1.829 20 30 DDEDLN CN(CC#Cc1ccc(F)cc1)CC[NH+]1CCN(C(=O)[O-])CC1 ZINC000833869865 605661287 /nfs/dbraw/zinc/66/12/87/605661287.db2.gz GVWMRHSDNHSTJL-UHFFFAOYSA-N 0 2 319.380 1.405 20 30 DDEDLN N#C[C@H]1CN(C(=O)[O-])C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1 ZINC000833965597 605684508 /nfs/dbraw/zinc/68/45/08/605684508.db2.gz CCYODYRLGAWPCI-AAEUAGOBSA-N 0 2 302.334 1.107 20 30 DDEDLN Cn1ncc2c1ncnc2N=NCc1ccc([N+](=O)[O-])c(O)c1 ZINC000748132425 700101387 /nfs/dbraw/zinc/10/13/87/700101387.db2.gz ASSMFHPTXAHKMU-UHFFFAOYSA-N 0 2 313.277 1.423 20 30 DDEDLN CC(N=Nc1ccc(C(N)=O)nn1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000749621845 700174355 /nfs/dbraw/zinc/17/43/55/700174355.db2.gz NLBONPOTRXUYPV-UHFFFAOYSA-N 0 2 316.277 1.025 20 30 DDEDLN CN(C)C(=O)[C@@H]1CC[C@H](C/N=C\c2cc([N+](=O)[O-])ccc2O)O1 ZINC000255839912 698424084 /nfs/dbraw/zinc/42/40/84/698424084.db2.gz MUFYCOVTPPNINO-NWVPSBIKSA-N 0 2 321.333 1.355 20 30 DDEDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cnn(CC#N)c1 ZINC000789919107 699421110 /nfs/dbraw/zinc/42/11/10/699421110.db2.gz HOYLFGXOYBQLLJ-VIFPVBQESA-N 0 2 317.271 1.048 20 30 DDEDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@]1(C#N)CCSC1 ZINC000789919309 699421506 /nfs/dbraw/zinc/42/15/06/699421506.db2.gz IOWZMPHNCBMHLA-GZMMTYOYSA-N 0 2 323.340 1.205 20 30 DDEDLN C=CCOc1cccc(NC(=O)CC2SC(=N)NC2=O)c1 ZINC000742577811 699882730 /nfs/dbraw/zinc/88/27/30/699882730.db2.gz CKIMOGSVJJZPGQ-LLVKDONJSA-N 0 2 305.359 1.746 20 30 DDEDLN N#CCOc1cc(F)ccc1NC(=O)CC1SC(=N)NC1=O ZINC000760971798 700832392 /nfs/dbraw/zinc/83/23/92/700832392.db2.gz VRPFELBNGHWJNK-SNVBAGLBSA-N 0 2 322.321 1.223 20 30 DDEDLN Cn1nc(C(F)(F)F)cc1CNC(=O)C(F)C(F)(F)F ZINC000831033016 706623846 /nfs/dbraw/zinc/62/38/46/706623846.db2.gz RTXQYRGSVVXIAL-LURJTMIESA-N 0 2 307.169 1.956 20 30 DDEDLN Cn1nc(C(F)(F)F)cc1CNC(=O)[C@H](F)C(F)(F)F ZINC000831033016 706623852 /nfs/dbraw/zinc/62/38/52/706623852.db2.gz RTXQYRGSVVXIAL-LURJTMIESA-N 0 2 307.169 1.956 20 30 DDEDLN Cc1ccc(NS(=O)(=O)c2cncc(C#N)c2)c(N(C)C)n1 ZINC000811824548 702068252 /nfs/dbraw/zinc/06/82/52/702068252.db2.gz FBZDEWRIWPYVGM-UHFFFAOYSA-N 0 2 317.374 1.524 20 30 DDEDLN O=C1NC(=O)C(=NNc2c(Cl)cc(F)cc2Cl)C(=O)N1 ZINC000814225195 702498716 /nfs/dbraw/zinc/49/87/16/702498716.db2.gz FEYMBFRCXQALAY-UHFFFAOYSA-N 0 2 319.079 1.266 20 30 DDEDLN N#CC(C(=O)[C@@H]1CCCN(C(N)=O)C1)c1nc(C2CC2)cs1 ZINC000842938471 702792503 /nfs/dbraw/zinc/79/25/03/702792503.db2.gz JWMRGASAXFJPGJ-GHMZBOCLSA-N 0 2 318.402 1.987 20 30 DDEDLN N#C[C@H](C(=O)[C@@H]1CCCN(C(N)=O)C1)c1nc(C2CC2)cs1 ZINC000842938471 702792505 /nfs/dbraw/zinc/79/25/05/702792505.db2.gz JWMRGASAXFJPGJ-GHMZBOCLSA-N 0 2 318.402 1.987 20 30 DDEDLN C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000855170373 704472166 /nfs/dbraw/zinc/47/21/66/704472166.db2.gz PXLCNDZYFSTNOI-YPMHNXCESA-N 0 2 315.377 1.322 20 30 DDEDLN C[C@@H]1C[C@@H]1/N=C1/NC(=O)[C@H](CC(=O)NCC(F)(F)F)S1 ZINC000864344555 706142788 /nfs/dbraw/zinc/14/27/88/706142788.db2.gz BAPXTGYJZVLEOG-VQVTYTSYSA-N 0 2 309.313 1.051 20 30 DDEDLN C=CCC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1)C(=O)[O-] ZINC000909718497 709595036 /nfs/dbraw/zinc/59/50/36/709595036.db2.gz PCNPCNYCKOHSHM-HUUCEWRRSA-N 0 2 317.389 1.582 20 30 DDEDLN C=CCC[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1)C(=O)[O-] ZINC000909718497 709595040 /nfs/dbraw/zinc/59/50/40/709595040.db2.gz PCNPCNYCKOHSHM-HUUCEWRRSA-N 0 2 317.389 1.582 20 30 DDEDLN Cn1ncc2c1nc(N=NC1CC[C@@H]3COCC[C@H]3C1)[nH]c2=O ZINC000901197268 709963887 /nfs/dbraw/zinc/96/38/87/709963887.db2.gz WAAMCRGHJQEZLT-VHSXEESVSA-N 0 2 316.365 1.673 20 30 DDEDLN C=CCCC[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(=O)[O-] ZINC000910927226 710122751 /nfs/dbraw/zinc/12/27/51/710122751.db2.gz YAVLDNYOAHPJGJ-RISCZKNCSA-N 0 2 320.393 1.716 20 30 DDEDLN C=CCCC[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(=O)[O-] ZINC000910927226 710122753 /nfs/dbraw/zinc/12/27/53/710122753.db2.gz YAVLDNYOAHPJGJ-RISCZKNCSA-N 0 2 320.393 1.716 20 30 DDEDLN C=CCOC[C@@H]([NH2+]Cc1ccc(Br)o1)C(=O)[O-] ZINC000901809259 710152489 /nfs/dbraw/zinc/15/24/89/710152489.db2.gz QHOCZAAQVHPFMJ-SECBINFHSA-N 0 2 304.140 1.788 20 30 DDEDLN C=CCCOCC(=O)N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000911173059 710669021 /nfs/dbraw/zinc/66/90/21/710669021.db2.gz ZGRGBVYGFSLHLP-UHFFFAOYSA-N 0 2 319.361 1.021 20 30 DDEDLN CC(C)(C#N)CS(=O)(=O)NCC(F)(F)C1(O)CCCCC1 ZINC000908497566 712790255 /nfs/dbraw/zinc/79/02/55/712790255.db2.gz VPQJHYUCHBOLSL-UHFFFAOYSA-N 0 2 324.393 1.786 20 30 DDEDLN C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCc2[nH+]ccn2C)C1 ZINC001021638013 733392011 /nfs/dbraw/zinc/39/20/11/733392011.db2.gz GOPUDFZOHJGASC-JKSUJKDBSA-N 0 2 314.433 1.299 20 30 DDEDLN C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001027371277 738241658 /nfs/dbraw/zinc/24/16/58/738241658.db2.gz YSYZHWGRKAQQIX-NSHDSACASA-N 0 2 312.801 1.713 20 30 DDEDLN C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[O-])C1 ZINC001027371277 738241660 /nfs/dbraw/zinc/24/16/60/738241660.db2.gz YSYZHWGRKAQQIX-NSHDSACASA-N 0 2 312.801 1.713 20 30 DDEDLN CC#CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001032628580 751724847 /nfs/dbraw/zinc/72/48/47/751724847.db2.gz HVGWNELAFDDDPZ-RLFYNMQTSA-N 0 2 321.440 1.507 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)[C@H]1C ZINC001088978664 744422567 /nfs/dbraw/zinc/42/25/67/744422567.db2.gz XHHCEJUKGPBGFD-UTUOFQBUSA-N 0 2 323.828 1.241 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3n[nH]nc3C2)[C@H]1C ZINC001088978664 744422568 /nfs/dbraw/zinc/42/25/68/744422568.db2.gz XHHCEJUKGPBGFD-UTUOFQBUSA-N 0 2 323.828 1.241 20 30 DDEDLN CC#CC[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2CCCCC3)[C@H]1C ZINC001089040451 744466143 /nfs/dbraw/zinc/46/61/43/744466143.db2.gz STRNZMPUKIYAND-HIFRSBDPSA-N 0 2 314.433 1.895 20 30 DDEDLN N#Cc1ccc(O)c(NC(=O)c2nnc3ccccc3c2O)c1 ZINC000176395334 744895086 /nfs/dbraw/zinc/89/50/86/744895086.db2.gz MNXQDXXDNOPKBO-UHFFFAOYSA-N 0 2 306.281 1.753 20 30 DDEDLN CCOC(=O)c1ccc2nccc(NS(=O)(=O)CC#N)c2c1 ZINC001192943004 745929537 /nfs/dbraw/zinc/92/95/37/745929537.db2.gz GIOLCQHEPUFEOQ-UHFFFAOYSA-N 0 2 319.342 1.099 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2[nH]c(=O)[nH]c(=O)c2N=O)c1O ZINC001193642649 746159649 /nfs/dbraw/zinc/15/96/49/746159649.db2.gz LLUUMNRSORVAHH-UHFFFAOYSA-N 0 2 301.218 1.115 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2cccc3c2CC(=O)NC3)c1O ZINC001193652429 746166399 /nfs/dbraw/zinc/16/63/99/746166399.db2.gz HVHPSPXHOXUUOE-UHFFFAOYSA-N 0 2 307.309 1.688 20 30 DDEDLN C=CCC(C)(C)C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC001197292394 747131626 /nfs/dbraw/zinc/13/16/26/747131626.db2.gz YLUKLVUBDLHCJI-UHFFFAOYSA-N 0 2 307.398 1.147 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21 ZINC001042015341 763567571 /nfs/dbraw/zinc/56/75/71/763567571.db2.gz GOLKOGKPZBZXMA-NEPJUHHUSA-N 0 2 324.812 1.713 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@@H]21 ZINC001042015341 763567575 /nfs/dbraw/zinc/56/75/75/763567575.db2.gz GOLKOGKPZBZXMA-NEPJUHHUSA-N 0 2 324.812 1.713 20 30 DDEDLN CN(CCCNc1nccnc1C#N)C(=O)C(F)C(F)(F)F ZINC001109645713 763907572 /nfs/dbraw/zinc/90/75/72/763907572.db2.gz QJADOHHITOGVKT-VIFPVBQESA-N 0 2 319.262 1.509 20 30 DDEDLN CN(CCCNc1nccnc1C#N)C(=O)[C@H](F)C(F)(F)F ZINC001109645713 763907576 /nfs/dbraw/zinc/90/75/76/763907576.db2.gz QJADOHHITOGVKT-VIFPVBQESA-N 0 2 319.262 1.509 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001098327589 764303060 /nfs/dbraw/zinc/30/30/60/764303060.db2.gz LWRKEXLQDAYAGK-MUWHJKNJSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001098327589 764303067 /nfs/dbraw/zinc/30/30/67/764303067.db2.gz LWRKEXLQDAYAGK-MUWHJKNJSA-N 0 2 305.235 1.165 20 30 DDEDLN C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC[C@@H]1C ZINC001071990662 770398616 /nfs/dbraw/zinc/39/86/16/770398616.db2.gz BMUIYDBZOZRXCG-QWRGUYRKSA-N 0 2 314.345 1.144 20 30 DDEDLN C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC[C@@H]1C ZINC001071990662 770398625 /nfs/dbraw/zinc/39/86/25/770398625.db2.gz BMUIYDBZOZRXCG-QWRGUYRKSA-N 0 2 314.345 1.144 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)nn1 ZINC001100748203 776496510 /nfs/dbraw/zinc/49/65/10/776496510.db2.gz SLAODAGQCSKNRR-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN CCN(CCNC(=O)[C@H](F)C(F)(F)F)c1ccc(C#N)nn1 ZINC001100748203 776496512 /nfs/dbraw/zinc/49/65/12/776496512.db2.gz SLAODAGQCSKNRR-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN CN(C)c1ccc(NS(=O)(=O)c2cc(C#N)ccc2F)cn1 ZINC001190608599 851138944 /nfs/dbraw/zinc/13/89/44/851138944.db2.gz VTBWPJJDPWEKFO-UHFFFAOYSA-N 0 2 320.349 1.959 20 30 DDEDLN C#CC[N@@H+](CC)[C@H](C)CNC(=O)c1[nH]nc2c1C[C@H](C)CC2 ZINC001156119971 862735540 /nfs/dbraw/zinc/73/55/40/862735540.db2.gz NXIFLOCHAADSNY-CHWSQXEVSA-N 0 2 302.422 1.608 20 30 DDEDLN N#CC(C(=O)NC1CC1)=C([O-])c1cccc(Cn2cc[nH+]c2)c1 ZINC001122542419 858875265 /nfs/dbraw/zinc/87/52/65/858875265.db2.gz OJYVLXAZOCGBPA-OAHLLOKOSA-N 0 2 308.341 1.532 20 30 DDEDLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C=NOC ZINC001323653200 866751960 /nfs/dbraw/zinc/75/19/60/866751960.db2.gz UGZLYGJVQGWREH-UHFFFAOYSA-N 0 2 308.363 1.768 20 30 DDEDLN CNC(=O)c1ccc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)cc1 ZINC001361745117 882281739 /nfs/dbraw/zinc/28/17/39/882281739.db2.gz OMHMBJZCHOXOJV-UHFFFAOYSA-N 0 2 310.313 1.579 20 30 DDEDLN N#Cc1cncc(NCc2nnc(COc3ccccc3)[nH]2)n1 ZINC001307098556 871394429 /nfs/dbraw/zinc/39/44/29/871394429.db2.gz MOVPHGZIOORGIG-UHFFFAOYSA-N 0 2 307.317 1.657 20 30 DDEDLN COC(=O)c1ccc(C(=O)[C@H](C#N)C(=O)Nc2ccccn2)o1 ZINC001342578317 872274552 /nfs/dbraw/zinc/27/45/52/872274552.db2.gz BXPVLRWBLYPLQF-VIFPVBQESA-N 0 2 313.269 1.422 20 30 DDEDLN CC(C)NC(=S)N[NH+]=Cc1cc(C(=O)[O-])ccc1N(C)C ZINC001345043033 873234322 /nfs/dbraw/zinc/23/43/22/873234322.db2.gz QFWDETZWHINBGT-UHFFFAOYSA-N 0 2 308.407 1.657 20 30 DDEDLN C=CCCCC(=O)N1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001356371204 879020165 /nfs/dbraw/zinc/02/01/65/879020165.db2.gz UVBOKZPRISRREX-AWEZNQCLSA-N 0 2 318.421 1.724 20 30 DDEDLN CC(C)(C)C#CC(=O)NC/C=C\CNC(=O)C(F)C(F)(F)F ZINC001357807027 880205945 /nfs/dbraw/zinc/20/59/45/880205945.db2.gz AMUNUNWRPCFJMO-DOGVGXBMSA-N 0 2 322.302 1.725 20 30 DDEDLN CC(C)(C)C#CC(=O)NC/C=C\CNC(=O)[C@@H](F)C(F)(F)F ZINC001357807027 880205956 /nfs/dbraw/zinc/20/59/56/880205956.db2.gz AMUNUNWRPCFJMO-DOGVGXBMSA-N 0 2 322.302 1.725 20 30 DDEDLN O=C([O-])COc1ccccc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001231791128 885872754 /nfs/dbraw/zinc/87/27/54/885872754.db2.gz VABNZRDTGCRXRZ-AWEZNQCLSA-N 0 2 319.382 1.924 20 30 DDEDLN O=C([O-])COc1ccccc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001231791128 885872768 /nfs/dbraw/zinc/87/27/68/885872768.db2.gz VABNZRDTGCRXRZ-AWEZNQCLSA-N 0 2 319.382 1.924 20 30 DDEDLN N#Cc1ccc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@@H](F)C2)c(O)c1 ZINC001233388341 886972983 /nfs/dbraw/zinc/97/29/83/886972983.db2.gz VRIFIKJGHOZBQC-JKSUJKDBSA-N 0 2 319.380 1.508 20 30 DDEDLN Cn1c(=O)[nH]c(NC[C@]2(O)CCCC(C)(C)CC2)c(C#N)c1=O ZINC001363744236 887121671 /nfs/dbraw/zinc/12/16/71/887121671.db2.gz IQJAYJNDBTWBIQ-INIZCTEOSA-N 0 2 320.393 1.079 20 30 DDEDLN N#Cc1c[n-]n2c1nc(C[NH+]1CC3(C1)CC(F)(F)C3)cc2=O ZINC001363796772 887242418 /nfs/dbraw/zinc/24/24/18/887242418.db2.gz YHDHQUWLYDBZNY-UHFFFAOYSA-N 0 2 305.288 1.538 20 30 DDEDLN C[C@H](O)CCCC(=O)Oc1[nH]c(=O)nc2cccc(C#N)c21 ZINC001234514204 888044126 /nfs/dbraw/zinc/04/41/26/888044126.db2.gz TUQDPFSRALADJS-VIFPVBQESA-N 0 2 301.302 1.664 20 30 DDEDLN Cn1ncc(NS(=O)(=O)c2cccc3cccnc32)c1C#N ZINC001250969721 894528524 /nfs/dbraw/zinc/52/85/24/894528524.db2.gz KIVWOUMJOMSPOK-UHFFFAOYSA-N 0 2 313.342 1.641 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2F)CCC1=O ZINC001259455786 898677856 /nfs/dbraw/zinc/67/78/56/898677856.db2.gz IGAUBZNXVJRGRP-QMMMGPOBSA-N 0 2 316.741 1.582 20 30 DDEDLN COCCS(=O)(=O)NCC(F)(F)C(F)(F)C(F)(F)F ZINC001259973316 898998411 /nfs/dbraw/zinc/99/84/11/898998411.db2.gz FQZSSLJBQLIFCE-UHFFFAOYSA-N 0 2 321.214 1.385 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2c(F)cc(F)cc2F)CCC1=O ZINC001260351641 899124295 /nfs/dbraw/zinc/12/42/95/899124295.db2.gz LGJVGIVBNVMMAQ-ZETCQYMHSA-N 0 2 318.276 1.207 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ncc(C#N)nc2C)cc1C ZINC001260632956 899191195 /nfs/dbraw/zinc/19/11/95/899191195.db2.gz ASIBVVLUVHSMNZ-UHFFFAOYSA-N 0 2 318.358 1.775 20 30 DDEDLN Cn1c(Cl)cnc1C(C#N)C(=O)c1ncn(C(C)(C)C)n1 ZINC001263615735 900649648 /nfs/dbraw/zinc/64/96/48/900649648.db2.gz DSLREIWJXZCOKN-MRVPVSSYSA-N 0 2 306.757 1.910 20 30 DDEDLN C=CCCCC(=O)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001282868263 906129178 /nfs/dbraw/zinc/12/91/78/906129178.db2.gz RQZVHVAUQQXFRE-LLVKDONJSA-N 0 2 310.291 1.914 20 30 DDEDLN C=CCCCC(=O)N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001282868263 906129187 /nfs/dbraw/zinc/12/91/87/906129187.db2.gz RQZVHVAUQQXFRE-LLVKDONJSA-N 0 2 310.291 1.914 20 30 DDEDLN CC(C)C#CC(=O)N1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001297214431 916812212 /nfs/dbraw/zinc/81/22/12/916812212.db2.gz AMVMHZYZAVTHKN-LLVKDONJSA-N 0 2 308.275 1.121 20 30 DDEDLN CC(C)C#CC(=O)N1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001297214431 916812231 /nfs/dbraw/zinc/81/22/31/916812231.db2.gz AMVMHZYZAVTHKN-LLVKDONJSA-N 0 2 308.275 1.121 20 30 DDEDLN CCn1ncc(C#N)c1NS(=O)(=O)c1cccc(OC)c1 ZINC000615129965 362165455 /nfs/dbraw/zinc/16/54/55/362165455.db2.gz NGOOZMSPOGJHFU-UHFFFAOYSA-N 0 2 306.347 1.584 20 30 DDEDLN CCCc1cc(NS(=O)(=O)c2ccc(C#N)nc2)n(C)n1 ZINC000092866096 185347238 /nfs/dbraw/zinc/34/72/38/185347238.db2.gz XQYCBFTWTTYTJJ-UHFFFAOYSA-N 0 2 305.363 1.440 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@@H]3CCC[C@H]3C2)cc1C#N ZINC000155170953 290687553 /nfs/dbraw/zinc/68/75/53/290687553.db2.gz QYPQPPSKEWSHFP-UWVGGRQHSA-N 0 2 303.387 1.841 20 30 DDEDLN Cc1cc(C(C#N)C(=O)c2nnc3ccccc3n2)nc(C)n1 ZINC000355091920 539454721 /nfs/dbraw/zinc/45/47/21/539454721.db2.gz BCUVFMIFGDANFN-LLVKDONJSA-N 0 2 304.313 1.922 20 30 DDEDLN C[S@@](=O)Cc1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000026268509 352207228 /nfs/dbraw/zinc/20/72/28/352207228.db2.gz AQMYUMDPNDHMLT-QFIPXVFZSA-N 0 2 313.342 1.284 20 30 DDEDLN Cc1cc([C@@H](C#N)C(=O)c2cnc3ccccn3c2=O)nc(C)n1 ZINC000041561017 352308751 /nfs/dbraw/zinc/30/87/51/352308751.db2.gz PKFPMTVMDSXXMO-GFCCVEGCSA-N 0 2 319.324 1.591 20 30 DDEDLN Cc1cc(C(C#N)C(=O)c2cnc3ccccn3c2=O)nc(C)n1 ZINC000041561017 352308756 /nfs/dbraw/zinc/30/87/56/352308756.db2.gz PKFPMTVMDSXXMO-GFCCVEGCSA-N 0 2 319.324 1.591 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(N3CCOC3=O)cc2)[nH]c1C#N ZINC000490576805 234018398 /nfs/dbraw/zinc/01/83/98/234018398.db2.gz WIPIQCKSEASWJK-UHFFFAOYSA-N 0 2 322.284 1.362 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)s1 ZINC000331839035 234182053 /nfs/dbraw/zinc/18/20/53/234182053.db2.gz OYYQHKSFRUFFMU-QMMMGPOBSA-N 0 2 304.331 1.728 20 30 DDEDLN N#Cc1nc(NC(=O)CNC(=O)OCc2ccccc2)[nH]c1C#N ZINC000063466381 352912529 /nfs/dbraw/zinc/91/25/29/352912529.db2.gz BFOUHPJPIPNCKB-UHFFFAOYSA-N 0 2 324.300 1.018 20 30 DDEDLN N#CC[C@@]1(O)CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000592843955 355712936 /nfs/dbraw/zinc/71/29/36/355712936.db2.gz IDYMTGGJQAJRBF-MRXNPFEDSA-N 0 2 312.329 1.069 20 30 DDEDLN C[C@]1(C#N)CCCN(C(=O)c2cccc(-c3nc(=O)o[nH]3)c2)C1 ZINC000597498551 357197649 /nfs/dbraw/zinc/19/76/49/357197649.db2.gz JQIWIIXTBKRGMG-MRXNPFEDSA-N 0 2 312.329 1.796 20 30 DDEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2c[nH]nc2C)c1 ZINC000090231085 407166182 /nfs/dbraw/zinc/16/61/82/407166182.db2.gz BPENNWZNGIEAAC-UHFFFAOYSA-N 0 2 320.374 1.435 20 30 DDEDLN N#Cc1nc(NC(=O)c2cccc(-c3nc[nH]n3)c2)[nH]c1C#N ZINC000153178051 407769404 /nfs/dbraw/zinc/76/94/04/407769404.db2.gz JTKFJOVTYODYGQ-UHFFFAOYSA-N 0 2 304.273 1.190 20 30 DDEDLN C[C@@H](C(=O)N(C)CCC#N)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285784491 408863765 /nfs/dbraw/zinc/86/37/65/408863765.db2.gz UILGOLICSNNBLI-HNNXBMFYSA-N 0 2 320.437 1.794 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1nccc(-c2cnn(C)c2)n1 ZINC000291845879 408931950 /nfs/dbraw/zinc/93/19/50/408931950.db2.gz IAMPFLOYUZVUSN-UHFFFAOYSA-N 0 2 307.379 1.585 20 30 DDEDLN N#Cc1nc(NC(=O)[C@H]2CCN(c3ccccc3F)C2)[nH]c1C#N ZINC000290247118 409336034 /nfs/dbraw/zinc/33/60/34/409336034.db2.gz ZTCIQXBBCMWJMX-JTQLQIEISA-N 0 2 324.319 1.757 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cn1 ZINC000319737281 164038841 /nfs/dbraw/zinc/03/88/41/164038841.db2.gz WBBBYZUVYMYTTK-UHFFFAOYSA-N 0 2 322.277 1.801 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)C)c1C#N ZINC000357163589 409912928 /nfs/dbraw/zinc/91/29/28/409912928.db2.gz KZKZGQZPLSKDBY-NSHDSACASA-N 0 2 320.397 1.651 20 30 DDEDLN Cc1ccc2c(n1)[nH]cc(C(=O)N[C@H]1CCS(=O)(=O)C1)c2=O ZINC000328703547 409958199 /nfs/dbraw/zinc/95/81/99/409958199.db2.gz XVDPTTCYIMKOKT-VIFPVBQESA-N 0 2 321.358 1.136 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@](C)(CO)C(C)C)cc1C#N ZINC000427384153 419649454 /nfs/dbraw/zinc/64/94/54/419649454.db2.gz WOQITPKDFAYCSL-CQSZACIVSA-N 0 2 309.391 1.518 20 30 DDEDLN COC(=O)[C@@H](C)N(C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000435951513 420298030 /nfs/dbraw/zinc/29/80/30/420298030.db2.gz GCVWUNYZNCBKEN-SSDOTTSWSA-N 0 2 309.347 1.014 20 30 DDEDLN CCc1n[nH]c(NS(=O)(=O)c2ccc(C#N)cc2OC)c1C ZINC000438249168 420447217 /nfs/dbraw/zinc/44/72/17/420447217.db2.gz VLHRKDITQDBCJQ-UHFFFAOYSA-N 0 2 320.374 1.962 20 30 DDEDLN CCn1ncc(C#N)c1NS(=O)(=O)c1ccccc1COC ZINC000438232407 420447354 /nfs/dbraw/zinc/44/73/54/420447354.db2.gz YMMKJCMXUBTAOR-UHFFFAOYSA-N 0 2 320.374 1.722 20 30 DDEDLN N#Cc1ccsc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000560436942 421263865 /nfs/dbraw/zinc/26/38/65/421263865.db2.gz PSSACKBFBLOKNG-UHFFFAOYSA-N 0 2 303.347 1.463 20 30 DDEDLN CC1(c2nc(=NC(=O)[C@@H](O)c3ccc(C#N)cc3)s[nH]2)CC1 ZINC000529699527 421553327 /nfs/dbraw/zinc/55/33/27/421553327.db2.gz RRKOOVSINBWURN-NSHDSACASA-N 0 2 314.370 1.555 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1CNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000566144530 421603016 /nfs/dbraw/zinc/60/30/16/421603016.db2.gz VELPQEBNPDVDNT-UWVGGRQHSA-N 0 2 310.423 1.970 20 30 DDEDLN Cc1ncc(NS(=O)(=O)c2ccc(C#N)nc2)c(C2CC2)n1 ZINC000533218371 421670612 /nfs/dbraw/zinc/67/06/12/421670612.db2.gz PPXZOPJJERMBDY-UHFFFAOYSA-N 0 2 315.358 1.730 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000610725246 422472553 /nfs/dbraw/zinc/47/25/53/422472553.db2.gz POTCWOZIDPCIGU-UHFFFAOYSA-N 0 2 310.316 1.724 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000648251885 423289876 /nfs/dbraw/zinc/28/98/76/423289876.db2.gz LDHYRJNOKPZEFU-NEPJUHHUSA-N 0 2 301.302 1.560 20 30 DDEDLN Cn1ncc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)c1C#N ZINC000355031667 267842097 /nfs/dbraw/zinc/84/20/97/267842097.db2.gz BBERJVUMKIVLLM-UHFFFAOYSA-N 0 2 310.342 1.484 20 30 DDEDLN CCOC(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000352610575 269667180 /nfs/dbraw/zinc/66/71/80/269667180.db2.gz SXUOPYDLGDESBK-UHFFFAOYSA-N 0 2 309.285 1.582 20 30 DDEDLN N#C[C@H]1COCCN1Cc1cc(=O)oc2cc(O)c(Cl)cc12 ZINC000285071748 303170612 /nfs/dbraw/zinc/17/06/12/303170612.db2.gz PBXXGQOXLQIKMR-JTQLQIEISA-N 0 2 320.732 1.876 20 30 DDEDLN C=CCCn1cc(C(=O)N=c2nc(C3(C)CC3)[nH]s2)nn1 ZINC000529700482 340768170 /nfs/dbraw/zinc/76/81/70/340768170.db2.gz HTWKWPGAEVEVPS-UHFFFAOYSA-N 0 2 304.379 1.431 20 30 DDEDLN Cn1cc(C(=O)C(C#N)c2ccncn2)c(-c2ccncc2)n1 ZINC000681359284 486412699 /nfs/dbraw/zinc/41/26/99/486412699.db2.gz YFNASLRFTCXZJF-LBPRGKRZSA-N 0 2 304.313 1.762 20 30 DDEDLN Cn1cc(C(=O)[C@@H](C#N)c2ccncn2)c(-c2ccncc2)n1 ZINC000681359284 486412704 /nfs/dbraw/zinc/41/27/04/486412704.db2.gz YFNASLRFTCXZJF-LBPRGKRZSA-N 0 2 304.313 1.762 20 30 DDEDLN C#CCN(CC#N)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000491022940 526877839 /nfs/dbraw/zinc/87/78/39/526877839.db2.gz UHGCCXAIGJGKLH-UHFFFAOYSA-N 0 2 314.732 1.830 20 30 DDEDLN COc1cccc(CCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c1 ZINC000122552428 696722606 /nfs/dbraw/zinc/72/26/06/696722606.db2.gz ZLRFXMOAHJMKCT-AWEZNQCLSA-N 0 2 311.341 1.953 20 30 DDEDLN C=CCOC[C@H](NC(=O)c1cccc(Cl)c1O)C(=O)OC ZINC000797762092 700023044 /nfs/dbraw/zinc/02/30/44/700023044.db2.gz MYYWSYVMVNMVBX-NSHDSACASA-N 0 2 313.737 1.520 20 30 DDEDLN C#CCNC(=O)C1CCN(C(=O)c2cccc(Cl)c2O)CC1 ZINC000775684918 698023176 /nfs/dbraw/zinc/02/31/76/698023176.db2.gz WKZGEKAQUJXGIP-UHFFFAOYSA-N 0 2 320.776 1.647 20 30 DDEDLN CCOc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2O)cn1 ZINC000781657843 698637152 /nfs/dbraw/zinc/63/71/52/698637152.db2.gz OKWYWTNWJCMBNO-UHFFFAOYSA-N 0 2 319.342 1.858 20 30 DDEDLN N#C[C@@H](C(=O)[C@H]1CC(=O)N(C2CC2)C1)c1cnc2ccccc2n1 ZINC000792108136 699675688 /nfs/dbraw/zinc/67/56/88/699675688.db2.gz IJJKDWVIYJWUEZ-WCQYABFASA-N 0 2 320.352 1.817 20 30 DDEDLN CC(C)N1CC[C@@H]([NH2+][C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O ZINC000736473412 699726374 /nfs/dbraw/zinc/72/63/74/699726374.db2.gz DXQOMTQLRJRLRF-ZIAGYGMSSA-N 0 2 301.346 1.283 20 30 DDEDLN CCC(CC)CN(CCC#N)C(=O)C[C@H]1SC(=N)NC1=O ZINC000742641299 699884615 /nfs/dbraw/zinc/88/46/15/699884615.db2.gz GJDVYABQHSEKNU-LLVKDONJSA-N 0 2 310.423 1.721 20 30 DDEDLN N#C[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccc(Cl)cc1 ZINC000742646181 699884996 /nfs/dbraw/zinc/88/49/96/699884996.db2.gz IPVLVCORXPFHDX-UWVGGRQHSA-N 0 2 322.777 1.577 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2cccnc2Cl)s1 ZINC000759151462 700739423 /nfs/dbraw/zinc/73/94/23/700739423.db2.gz KJXHJARRPBSZKE-UHFFFAOYSA-N 0 2 300.752 1.864 20 30 DDEDLN C=C(Br)CNC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000760190600 700796798 /nfs/dbraw/zinc/79/67/98/700796798.db2.gz STNXYJBUBNCEFK-UHFFFAOYSA-N 0 2 317.105 1.468 20 30 DDEDLN N#Cc1ncc(Br)cc1NCCCc1n[nH]c(=O)[nH]1 ZINC000853397417 704238247 /nfs/dbraw/zinc/23/82/47/704238247.db2.gz OISDUHQIJYQBSF-UHFFFAOYSA-N 0 2 323.154 1.584 20 30 DDEDLN CC(C)N1CC[C@H]([NH2+][C@@H](C(=O)[O-])c2cccc(C#N)c2)C1=O ZINC000826965985 705902099 /nfs/dbraw/zinc/90/20/99/705902099.db2.gz HRKGVQKJAXZDGS-UONOGXRCSA-N 0 2 301.346 1.283 20 30 DDEDLN Cc1nc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)ccc1C#N ZINC000839417282 708047148 /nfs/dbraw/zinc/04/71/48/708047148.db2.gz UYSZKPVAVWSMBM-UHFFFAOYSA-N 0 2 314.267 1.657 20 30 DDEDLN O=C1C[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)CN1CC1CC1 ZINC000887271061 709003365 /nfs/dbraw/zinc/00/33/65/709003365.db2.gz ZDQPFQAKBIMENW-DYPRAHPUSA-N 0 2 303.318 1.730 20 30 DDEDLN C=CCC[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(=O)[O-] ZINC000909716117 709594252 /nfs/dbraw/zinc/59/42/52/709594252.db2.gz PQZBPNQRPMULIM-GXFFZTMASA-N 0 2 306.366 1.326 20 30 DDEDLN C=CCC[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(=O)[O-] ZINC000909716117 709594254 /nfs/dbraw/zinc/59/42/54/709594254.db2.gz PQZBPNQRPMULIM-GXFFZTMASA-N 0 2 306.366 1.326 20 30 DDEDLN Cc1cc(O)c(C(=O)C=Cc2cccc3c2CCOC3)c(=O)o1 ZINC000901417640 710033293 /nfs/dbraw/zinc/03/32/93/710033293.db2.gz RHNCHMGRFBJXJV-OSJSJHBBSA-N 0 2 312.321 1.988 20 30 DDEDLN C=CCCC[C@H](NC(=O)/C=C(\C)C[NH+]1CCOCC1)C(=O)[O-] ZINC000910925973 710122231 /nfs/dbraw/zinc/12/22/31/710122231.db2.gz PFNNYJMDSWHRLI-CMPYXILNSA-N 0 2 310.394 1.191 20 30 DDEDLN C=CCCC[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(=O)[O-] ZINC000910927227 710122726 /nfs/dbraw/zinc/12/27/26/710122726.db2.gz YAVLDNYOAHPJGJ-SMDDNHRTSA-N 0 2 320.393 1.716 20 30 DDEDLN C=CCCC[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(=O)[O-] ZINC000910927227 710122728 /nfs/dbraw/zinc/12/27/28/710122728.db2.gz YAVLDNYOAHPJGJ-SMDDNHRTSA-N 0 2 320.393 1.716 20 30 DDEDLN O=C1[C@H](NCc2c(O)cccc2Br)CCCN1O ZINC000895156463 711435700 /nfs/dbraw/zinc/43/57/00/711435700.db2.gz CHXONBFWSAIXOI-SNVBAGLBSA-N 0 2 315.167 1.625 20 30 DDEDLN C[N@@H+](CCCCC1(C#N)CCC1)CC(=O)N1CC[NH+](C)CC1 ZINC000931488082 714109511 /nfs/dbraw/zinc/10/95/11/714109511.db2.gz NQFTVIJFRCJWFV-UHFFFAOYSA-N 0 2 306.454 1.556 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)CNc1nccnc1C#N ZINC001104236734 732734741 /nfs/dbraw/zinc/73/47/41/732734741.db2.gz IFBJNCOKAKQDRT-CBAPKCEASA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)CNc1nccnc1C#N ZINC001104236734 732734746 /nfs/dbraw/zinc/73/47/46/732734746.db2.gz IFBJNCOKAKQDRT-CBAPKCEASA-N 0 2 319.262 1.413 20 30 DDEDLN CN(CCN(C)c1ccc(C#N)nn1)C(=O)C(F)C(F)(F)F ZINC001105589496 742134306 /nfs/dbraw/zinc/13/43/06/742134306.db2.gz XLAHGTIUJOXJAK-JTQLQIEISA-N 0 2 319.262 1.143 20 30 DDEDLN CN(CCN(C)c1ccc(C#N)nn1)C(=O)[C@H](F)C(F)(F)F ZINC001105589496 742134311 /nfs/dbraw/zinc/13/43/11/742134311.db2.gz XLAHGTIUJOXJAK-JTQLQIEISA-N 0 2 319.262 1.143 20 30 DDEDLN C#Cc1nccnc1NS(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189272731 744867020 /nfs/dbraw/zinc/86/70/20/744867020.db2.gz MHPVJZYRAYDUMZ-UHFFFAOYSA-N 0 2 309.297 1.678 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2nc(C)ns2)c1 ZINC001193636730 746157141 /nfs/dbraw/zinc/15/71/41/746157141.db2.gz ZTPAOKWBZJHBRG-UHFFFAOYSA-N 0 2 310.360 1.528 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(CO)nc2)c1 ZINC001193653590 746167419 /nfs/dbraw/zinc/16/74/19/746167419.db2.gz JOLYWVRTYBHVCI-UHFFFAOYSA-N 0 2 319.342 1.255 20 30 DDEDLN C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(F)(F)F)[nH]n2)C1 ZINC001033500008 749443133 /nfs/dbraw/zinc/44/31/33/749443133.db2.gz DFLOPWXWCMXVGW-SNVBAGLBSA-N 0 2 314.311 1.598 20 30 DDEDLN N#Cc1cnccc1NC/C=C\CNC(=O)C(F)C(F)(F)F ZINC001107561840 750139766 /nfs/dbraw/zinc/13/97/66/750139766.db2.gz PFICNTFANNQVTE-BVBSBALXSA-N 0 2 316.258 1.360 20 30 DDEDLN N#Cc1cnccc1NC/C=C\CNC(=O)[C@H](F)C(F)(F)F ZINC001107561840 750139769 /nfs/dbraw/zinc/13/97/69/750139769.db2.gz PFICNTFANNQVTE-BVBSBALXSA-N 0 2 316.258 1.360 20 30 DDEDLN CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001009203331 753108551 /nfs/dbraw/zinc/10/85/51/753108551.db2.gz MIAGHPBATOZJIG-NSHDSACASA-N 0 2 314.345 1.146 20 30 DDEDLN CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001009203331 753108553 /nfs/dbraw/zinc/10/85/53/753108553.db2.gz MIAGHPBATOZJIG-NSHDSACASA-N 0 2 314.345 1.146 20 30 DDEDLN CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC001032784327 753659459 /nfs/dbraw/zinc/65/94/59/753659459.db2.gz RTMXXGDUYTWUEB-KBPBESRZSA-N 0 2 310.357 1.592 20 30 DDEDLN C#CC[NH+]1CCC(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC001002001697 754635645 /nfs/dbraw/zinc/63/56/45/754635645.db2.gz VOOQTDNRNILUJX-UHFFFAOYSA-N 0 2 322.412 1.947 20 30 DDEDLN C[C@@H](CNc1ncccc1C#N)NC(=O)C(F)C(F)(F)F ZINC001108739939 762898430 /nfs/dbraw/zinc/89/84/30/762898430.db2.gz UVACIKAUDZSRKR-IONNQARKSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNc1ncccc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001108739939 762898437 /nfs/dbraw/zinc/89/84/37/762898437.db2.gz UVACIKAUDZSRKR-IONNQARKSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001109274759 763536959 /nfs/dbraw/zinc/53/69/59/763536959.db2.gz JFSFTOHVSGGPEL-GZMMTYOYSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001109274759 763536963 /nfs/dbraw/zinc/53/69/63/763536963.db2.gz JFSFTOHVSGGPEL-GZMMTYOYSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)C(F)C(F)(F)F ZINC001109275246 763537182 /nfs/dbraw/zinc/53/71/82/763537182.db2.gz OHVFKTQMJDNURG-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001109275246 763537185 /nfs/dbraw/zinc/53/71/85/763537185.db2.gz OHVFKTQMJDNURG-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1 ZINC001109683628 763942058 /nfs/dbraw/zinc/94/20/58/763942058.db2.gz VLZRZZGZEYAUHO-KZTGVZKYSA-N 0 2 319.409 1.334 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001098327802 764308993 /nfs/dbraw/zinc/30/89/93/764308993.db2.gz PSLNLNXKHIVEDB-IMTBSYHQSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001098327802 764309003 /nfs/dbraw/zinc/30/90/03/764309003.db2.gz PSLNLNXKHIVEDB-IMTBSYHQSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccc(C#N)nc1 ZINC001113934708 766425957 /nfs/dbraw/zinc/42/59/57/766425957.db2.gz PVTOGKTXKUVYKK-KWQFWETISA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1ccc(C#N)nc1 ZINC001113934708 766425962 /nfs/dbraw/zinc/42/59/62/766425962.db2.gz PVTOGKTXKUVYKK-KWQFWETISA-N 0 2 318.274 1.795 20 30 DDEDLN C#CC[N@H+]1C[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC[C@@H]1C ZINC001071990665 770397638 /nfs/dbraw/zinc/39/76/38/770397638.db2.gz BMUIYDBZOZRXCG-WDEREUQCSA-N 0 2 314.345 1.144 20 30 DDEDLN C#CC[N@@H+]1C[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)CC[C@@H]1C ZINC001071990665 770397648 /nfs/dbraw/zinc/39/76/48/770397648.db2.gz BMUIYDBZOZRXCG-WDEREUQCSA-N 0 2 314.345 1.144 20 30 DDEDLN N#Cc1ccc(N2CC[C@H](NC(=O)C(F)C(F)(F)F)C2)cn1 ZINC001096492094 770471520 /nfs/dbraw/zinc/47/15/20/770471520.db2.gz SAHMFTXBQPHBJY-ONGXEEELSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1ccc(N2CC[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)cn1 ZINC001096492094 770471528 /nfs/dbraw/zinc/47/15/28/770471528.db2.gz SAHMFTXBQPHBJY-ONGXEEELSA-N 0 2 316.258 1.549 20 30 DDEDLN CCc1nc(C#N)cc(NCCNC(=O)C(F)C(F)(F)F)n1 ZINC001094182450 775499139 /nfs/dbraw/zinc/49/91/39/775499139.db2.gz BQSRQJGZMGLMPW-SNVBAGLBSA-N 0 2 319.262 1.339 20 30 DDEDLN CCc1nc(C#N)cc(NCCNC(=O)[C@@H](F)C(F)(F)F)n1 ZINC001094182450 775499141 /nfs/dbraw/zinc/49/91/41/775499141.db2.gz BQSRQJGZMGLMPW-SNVBAGLBSA-N 0 2 319.262 1.339 20 30 DDEDLN CON=Cc1ccc(C(=O)N[C@@H](C)c2nn(C)cc2O)cc1 ZINC001179921024 779561054 /nfs/dbraw/zinc/56/10/54/779561054.db2.gz LTBRQLSCDLAROU-JTQLQIEISA-N 0 2 302.334 1.597 20 30 DDEDLN N#Cc1cccc(C[NH2+]C/C=C\CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001268547612 840427634 /nfs/dbraw/zinc/42/76/34/840427634.db2.gz IAZCJBNXPOYUJN-UPHRSURJSA-N 0 2 323.400 1.676 20 30 DDEDLN Cn1c(=O)[nH]c(NC2CC(Nc3ccccc3)C2)c(C#N)c1=O ZINC001412913565 855777619 /nfs/dbraw/zinc/77/76/19/855777619.db2.gz XLXWDJVVHOEJAS-UHFFFAOYSA-N 0 2 311.345 1.000 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)c2ncccn2)cc1C#N ZINC001361425566 881626673 /nfs/dbraw/zinc/62/66/73/881626673.db2.gz LOEKPCWURMGNHX-UHFFFAOYSA-N 0 2 301.331 1.447 20 30 DDEDLN Cc1cc(=O)[nH]c(OC2CN(C(=O)OC(C)(C)C)C2)c1C#N ZINC001226221577 882288946 /nfs/dbraw/zinc/28/89/46/882288946.db2.gz MPKGOSVKLMZXHL-UHFFFAOYSA-N 0 2 305.334 1.965 20 30 DDEDLN Cc1cc(C)n(CCCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)n1 ZINC001342974265 872453358 /nfs/dbraw/zinc/45/33/58/872453358.db2.gz AASPRCLEJPEGFO-ZDUSSCGKSA-N 0 2 313.361 1.605 20 30 DDEDLN C#CCN(CC#C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC1CC1 ZINC001346887865 873925717 /nfs/dbraw/zinc/92/57/17/873925717.db2.gz HBAJMJMWJWEOME-UHFFFAOYSA-N 0 2 324.388 1.350 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208511963 874210290 /nfs/dbraw/zinc/21/02/90/874210290.db2.gz PVYQSDXSOWFINQ-HFAKWTLXSA-N 0 2 307.398 1.049 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208511963 874210305 /nfs/dbraw/zinc/21/03/05/874210305.db2.gz PVYQSDXSOWFINQ-HFAKWTLXSA-N 0 2 307.398 1.049 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cncnc1N1CCCC1 ZINC001362100892 883037787 /nfs/dbraw/zinc/03/77/87/883037787.db2.gz DGBZAAPCFYCQRF-UHFFFAOYSA-N 0 2 324.344 1.610 20 30 DDEDLN CCOC(=O)[C@@H](C#C[Si](C)(C)C)Oc1nc(O)cc(=O)[nH]1 ZINC001228388267 883476573 /nfs/dbraw/zinc/47/65/73/883476573.db2.gz GVZWQDDTJBNEHM-SECBINFHSA-N 0 2 310.382 1.079 20 30 DDEDLN C[C@@H](NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1nn(C)cc1O ZINC001363668626 886934217 /nfs/dbraw/zinc/93/42/17/886934217.db2.gz UMUKXJOQGUCBBS-RISCZKNCSA-N 0 2 323.356 1.557 20 30 DDEDLN COc1cc(C)c(Nc2[nH]c(=O)n(C)c(=O)c2C#N)cc1OC ZINC001363733903 887100659 /nfs/dbraw/zinc/10/06/59/887100659.db2.gz GISGFSLNVWWOKU-UHFFFAOYSA-N 0 2 316.317 1.015 20 30 DDEDLN Cc1ccccc1C1=CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)C1 ZINC001364174641 888078475 /nfs/dbraw/zinc/07/84/75/888078475.db2.gz WCKOHHKIHYXFTF-UHFFFAOYSA-N 0 2 308.341 1.157 20 30 DDEDLN CCCOC1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCCCC1 ZINC001364187955 888110195 /nfs/dbraw/zinc/11/01/95/888110195.db2.gz BZYPJKHCWMFBBQ-UHFFFAOYSA-N 0 2 320.393 1.487 20 30 DDEDLN N#CCC1(CNC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)CC1 ZINC001365154496 890209179 /nfs/dbraw/zinc/20/91/79/890209179.db2.gz UCAIIFRTYZPBTQ-JTQLQIEISA-N 0 2 304.354 1.093 20 30 DDEDLN C[S@](=O)CCCNC(=S)Nc1cc(C#N)c(F)cc1O ZINC001246573215 892707507 /nfs/dbraw/zinc/70/75/07/892707507.db2.gz DNPDKADJTVAVES-FQEVSTJZSA-N 0 2 315.395 1.458 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC001396843239 914579531 /nfs/dbraw/zinc/57/95/31/914579531.db2.gz ONBLCQYNRBZRLS-APPZFPTMSA-N 0 2 309.263 1.154 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001396843239 914579537 /nfs/dbraw/zinc/57/95/37/914579537.db2.gz ONBLCQYNRBZRLS-APPZFPTMSA-N 0 2 309.263 1.154 20 30 DDEDLN CC(C)(C)C#CC(=O)N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001283348524 907190666 /nfs/dbraw/zinc/19/06/66/907190666.db2.gz YJLGGAJLTFNGQB-MWLCHTKSSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)(C)C#CC(=O)N[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001283348524 907190672 /nfs/dbraw/zinc/19/06/72/907190672.db2.gz YJLGGAJLTFNGQB-MWLCHTKSSA-N 0 2 322.302 1.653 20 30 DDEDLN CN(C(=O)C#CC1CC1)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001283384756 907267073 /nfs/dbraw/zinc/26/70/73/907267073.db2.gz MZDFFILUVBVECF-JQWIXIFHSA-N 0 2 320.286 1.360 20 30 DDEDLN CN(C(=O)C#CC1CC1)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001283384756 907267087 /nfs/dbraw/zinc/26/70/87/907267087.db2.gz MZDFFILUVBVECF-JQWIXIFHSA-N 0 2 320.286 1.360 20 30 DDEDLN C=CCCC1(C(=O)N2CC(NC(=O)C(F)C(F)(F)F)C2)CC1 ZINC001297069734 916711318 /nfs/dbraw/zinc/71/13/18/916711318.db2.gz ULGSRTWPXXYVPM-JTQLQIEISA-N 0 2 322.302 1.960 20 30 DDEDLN C=CCCC1(C(=O)N2CC(NC(=O)[C@H](F)C(F)(F)F)C2)CC1 ZINC001297069734 916711330 /nfs/dbraw/zinc/71/13/30/916711330.db2.gz ULGSRTWPXXYVPM-JTQLQIEISA-N 0 2 322.302 1.960 20 30 DDEDLN C#CCN(C(=O)c1cc(S(=O)(=O)NCC)ccc1C)C1CC1 ZINC000274152318 186439041 /nfs/dbraw/zinc/43/90/41/186439041.db2.gz ZGDATYBPHOKNPE-UHFFFAOYSA-N 0 2 320.414 1.531 20 30 DDEDLN CCOC(=O)CCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000031915110 352272945 /nfs/dbraw/zinc/27/29/45/352272945.db2.gz OECQTKQYLWOKDY-UHFFFAOYSA-N 0 2 323.374 1.454 20 30 DDEDLN CC(C)NC(=O)Nc1cccc(C(=O)NC2=NC(=O)CN2)c1 ZINC000050222983 352565305 /nfs/dbraw/zinc/56/53/05/352565305.db2.gz CQNGTSFMNWWKBW-UHFFFAOYSA-N 0 2 303.322 1.007 20 30 DDEDLN O=C(NC1=NC(=O)CN1)c1ccc(Br)c(F)c1 ZINC000057318390 352810926 /nfs/dbraw/zinc/81/09/26/352810926.db2.gz YGZKMTGPINNRAJ-UHFFFAOYSA-N 0 2 300.087 1.379 20 30 DDEDLN C=CCn1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1ccccn1 ZINC000091588571 353830852 /nfs/dbraw/zinc/83/08/52/353830852.db2.gz USZRNUUPECEXPR-UHFFFAOYSA-N 0 2 315.362 1.230 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cc3c(cn2)CCC3)cc1C#N ZINC000590742965 355160786 /nfs/dbraw/zinc/16/07/86/355160786.db2.gz CYKONLJURDAGJF-UHFFFAOYSA-N 0 2 314.370 1.946 20 30 DDEDLN O=C(CC1S/C(=N\C2CC2)NC1=O)Nc1ccccc1F ZINC000007126321 181441066 /nfs/dbraw/zinc/44/10/66/181441066.db2.gz MTXDPADCPQUSSL-LLVKDONJSA-N 0 2 307.350 1.904 20 30 DDEDLN O=C(C[C@H]1S/C(=N\C2CC2)NC1=O)Nc1ccccc1F ZINC000007126321 181441073 /nfs/dbraw/zinc/44/10/73/181441073.db2.gz MTXDPADCPQUSSL-LLVKDONJSA-N 0 2 307.350 1.904 20 30 DDEDLN Cc1csc(C(C#N)C(=O)c2cnc3ccccn3c2=O)n1 ZINC000041516975 183196880 /nfs/dbraw/zinc/19/68/80/183196880.db2.gz YODCVUHGDYKJKV-JTQLQIEISA-N 0 2 310.338 1.950 20 30 DDEDLN CCOc1cccc(S(=O)(=O)Nc2c(C#N)cnn2C)c1 ZINC000337135294 249360337 /nfs/dbraw/zinc/36/03/37/249360337.db2.gz MEHHRWJJFKZEHJ-UHFFFAOYSA-N 0 2 306.347 1.491 20 30 DDEDLN C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000152204929 407582707 /nfs/dbraw/zinc/58/27/07/407582707.db2.gz YXOMTIMKDBQLJX-AAEUAGOBSA-N 0 2 303.410 1.552 20 30 DDEDLN N#Cc1nc(NC(=O)CSC[C@H]2CCCCO2)[nH]c1C#N ZINC000171183539 407620688 /nfs/dbraw/zinc/62/06/88/407620688.db2.gz OAGVIWCWVMZHLL-SECBINFHSA-N 0 2 305.363 1.394 20 30 DDEDLN CCOc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)cn1 ZINC000181042012 407948873 /nfs/dbraw/zinc/94/88/73/407948873.db2.gz CQKNVNXPZIVZRM-UHFFFAOYSA-N 0 2 304.331 1.548 20 30 DDEDLN N#C[C@@H]1CSCCN1C(=O)c1cc(F)c(F)c(O)c1F ZINC000273452517 408204612 /nfs/dbraw/zinc/20/46/12/408204612.db2.gz CPBBJRKRXVQMNU-ZCFIWIBFSA-N 0 2 302.277 1.891 20 30 DDEDLN N#C[C@H]1CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CCO1 ZINC000176291130 408332461 /nfs/dbraw/zinc/33/24/61/408332461.db2.gz XQGZBHPQJNDYCO-LBPRGKRZSA-N 0 2 316.292 1.082 20 30 DDEDLN C=CCNc1ncc(C(=O)NN2C(=O)N[C@](C)(CC)C2=O)s1 ZINC000278940979 409117112 /nfs/dbraw/zinc/11/71/12/409117112.db2.gz YDNAXWJGJYLELA-CYBMUJFWSA-N 0 2 323.378 1.106 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)cn1 ZINC000357335264 164139705 /nfs/dbraw/zinc/13/97/05/164139705.db2.gz BSPWTSCMVQHKIV-UHFFFAOYSA-N 0 2 316.298 1.601 20 30 DDEDLN C[C@@H]1CCCC[C@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408504919 164353540 /nfs/dbraw/zinc/35/35/40/164353540.db2.gz ZRFLWSHYBHEDHP-ZWNOBZJWSA-N 0 2 307.375 1.584 20 30 DDEDLN N#Cc1ccncc1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000341963560 409525619 /nfs/dbraw/zinc/52/56/19/409525619.db2.gz ZBSRDHKQKGOJDK-UHFFFAOYSA-N 0 2 307.269 1.549 20 30 DDEDLN C#CC[N@@H+](C)CCCNC(=O)NCCCCNc1cccc[nH+]1 ZINC000296849967 409666220 /nfs/dbraw/zinc/66/62/20/409666220.db2.gz JXHGQQZBCUYEKX-UHFFFAOYSA-N 0 2 317.437 1.528 20 30 DDEDLN CC(=O)Nc1ccc(C(=O)N=c2[nH][nH]c(C)c2C#N)cc1F ZINC000357256845 409951713 /nfs/dbraw/zinc/95/17/13/409951713.db2.gz LNAGBJFPKVYOBC-UHFFFAOYSA-N 0 2 301.281 1.940 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cc(-c3cnn(C)c3)ccc2F)c1C#N ZINC000357227125 409949827 /nfs/dbraw/zinc/94/98/27/409949827.db2.gz GVGIOSOTPATMST-UHFFFAOYSA-N 0 2 324.319 2.382 20 30 DDEDLN COC(=O)c1ccc(NS(=O)(=O)c2cncc(C#N)c2)s1 ZINC000357399443 410013982 /nfs/dbraw/zinc/01/39/82/410013982.db2.gz TYIDVNCXQLFHTK-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN Cc1cc(NC(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)n(C)n1 ZINC000330771135 410892327 /nfs/dbraw/zinc/89/23/27/410892327.db2.gz VBBRJLDEBVWKOO-UHFFFAOYSA-N 0 2 322.394 1.526 20 30 DDEDLN CO[C@H](CC(C)C)CS(=O)(=O)Nc1ccn(CCC#N)n1 ZINC000421162677 226674942 /nfs/dbraw/zinc/67/49/42/226674942.db2.gz ZSVAKXCPUVDPFK-GFCCVEGCSA-N 0 2 314.411 1.600 20 30 DDEDLN C=CCc1cc(C[NH2+]C[C@H]2C[NH2+]CCN2C)cc(OC)c1O ZINC000414971601 419899782 /nfs/dbraw/zinc/89/97/82/419899782.db2.gz WQDVGSBIPKRQRZ-OAHLLOKOSA-N 0 2 305.422 1.123 20 30 DDEDLN COC(=O)c1ccnc(NS(=O)(=O)c2ccc(C#N)cc2)c1 ZINC000437307816 420401024 /nfs/dbraw/zinc/40/10/24/420401024.db2.gz KIDTXMNAKFLVCB-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN COC(=O)[C@@H]1CCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000341859729 266646801 /nfs/dbraw/zinc/64/68/01/266646801.db2.gz QDYIWYXWGNUGTJ-MRVPVSSYSA-N 0 2 321.358 1.016 20 30 DDEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1c(C)cnn1C ZINC000349945560 266869635 /nfs/dbraw/zinc/86/96/35/266869635.db2.gz PRCNOWVJVRLZGZ-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN CCCCOCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000343660702 271829050 /nfs/dbraw/zinc/82/90/50/271829050.db2.gz CUGFTMAAFWJAHU-UHFFFAOYSA-N 0 2 309.391 1.927 20 30 DDEDLN CCN(C[C@@H](C)C#N)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000331250932 528613167 /nfs/dbraw/zinc/61/31/67/528613167.db2.gz XBBHSKABPCFQQH-VIFPVBQESA-N 0 2 323.422 1.204 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000737582328 600567457 /nfs/dbraw/zinc/56/74/57/600567457.db2.gz YZCVQRBGEMJPIA-KBPBESRZSA-N 0 2 302.330 1.569 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000737582328 600567458 /nfs/dbraw/zinc/56/74/58/600567458.db2.gz YZCVQRBGEMJPIA-KBPBESRZSA-N 0 2 302.330 1.569 20 30 DDEDLN CCN(CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C)c1ccccc1 ZINC000772677473 697659673 /nfs/dbraw/zinc/65/96/73/697659673.db2.gz DDKMVBYGYSCTKO-AWEZNQCLSA-N 0 2 310.357 1.838 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CO[C@H](C)C2)n1 ZINC000784497202 698942707 /nfs/dbraw/zinc/94/27/07/698942707.db2.gz DKSGPJBZMQYJIK-KXUCPTDWSA-N 0 2 308.359 1.921 20 30 DDEDLN CS(=O)(=O)CCNN=Cc1cc(Cl)cc(Cl)c1O ZINC000733205327 699583176 /nfs/dbraw/zinc/58/31/76/699583176.db2.gz ROPYNERDYSMWRG-UHFFFAOYSA-N 0 2 311.190 1.667 20 30 DDEDLN N#CC(C(=O)Cn1ccccc1=O)c1cnc2ccccc2n1 ZINC000792110103 699676046 /nfs/dbraw/zinc/67/60/46/699676046.db2.gz XILGKZHRHIELCE-LBPRGKRZSA-N 0 2 304.309 1.668 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2ccc3ncccc3c2)cn1 ZINC000741653807 699846790 /nfs/dbraw/zinc/84/67/90/699846790.db2.gz PRRPHVPVICCUHR-UHFFFAOYSA-N 0 2 313.342 1.756 20 30 DDEDLN N#CC(C(=O)CNC(=O)CC1CCCCC1)c1ccncn1 ZINC000760336348 700802824 /nfs/dbraw/zinc/80/28/24/700802824.db2.gz YNBPLBPFJIUNSV-CYBMUJFWSA-N 0 2 300.362 1.739 20 30 DDEDLN N#C[C@@H](C(=O)CNC(=O)CC1CCCCC1)c1ccncn1 ZINC000760336348 700802827 /nfs/dbraw/zinc/80/28/27/700802827.db2.gz YNBPLBPFJIUNSV-CYBMUJFWSA-N 0 2 300.362 1.739 20 30 DDEDLN COc1nccnc1N=NC(C)c1ccc(O)c([N+](=O)[O-])c1 ZINC000763408362 700937112 /nfs/dbraw/zinc/93/71/12/700937112.db2.gz NKHRNWOFMYZJIF-UHFFFAOYSA-N 0 2 303.278 1.935 20 30 DDEDLN O=[N+]([O-])c1ccc(C=NNCCOCC(F)(F)F)cc1O ZINC000765601888 701020810 /nfs/dbraw/zinc/02/08/10/701020810.db2.gz GQTQCGMNGWEFHZ-UHFFFAOYSA-N 0 2 307.228 1.803 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N/Cc2nnnn2CC2CC2)c1 ZINC000769718360 701254171 /nfs/dbraw/zinc/25/41/71/701254171.db2.gz KZPOMGRAFCRQBX-MKMNVTDBSA-N 0 2 302.294 1.316 20 30 DDEDLN CN(C(=O)C(F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000810392813 701763649 /nfs/dbraw/zinc/76/36/49/701763649.db2.gz ACCUULSUPHCUGU-NTSWFWBYSA-N 0 2 324.196 1.508 20 30 DDEDLN CN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000810392813 701763655 /nfs/dbraw/zinc/76/36/55/701763655.db2.gz ACCUULSUPHCUGU-NTSWFWBYSA-N 0 2 324.196 1.508 20 30 DDEDLN C=CCCCCCCCNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000811589745 702014260 /nfs/dbraw/zinc/01/42/60/702014260.db2.gz DRFJDGNXBSATRS-UHFFFAOYSA-N 0 2 317.393 1.714 20 30 DDEDLN C[C@@H](CC(=O)[N-]S(=O)(=O)CC1(C#N)CCCC1)n1cc[nH+]c1 ZINC000845508342 703165880 /nfs/dbraw/zinc/16/58/80/703165880.db2.gz KWFKTVPLLQCKLO-LBPRGKRZSA-N 0 2 324.406 1.364 20 30 DDEDLN C=C(C)CONC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 ZINC000846539612 703293693 /nfs/dbraw/zinc/29/36/93/703293693.db2.gz BARHGUVDCKSBHO-SNVBAGLBSA-N 0 2 313.379 1.667 20 30 DDEDLN C#CCCCNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000859668782 704968438 /nfs/dbraw/zinc/96/84/38/704968438.db2.gz IIIHTXYVVXHYIU-UHFFFAOYSA-N 0 2 302.252 1.601 20 30 DDEDLN O=C(CC1S/C(=N/CCC2CC2)NC1=O)Nc1cnccn1 ZINC000864344829 706143406 /nfs/dbraw/zinc/14/34/06/706143406.db2.gz HTAJTWGSDSIBCL-JTQLQIEISA-N 0 2 319.390 1.193 20 30 DDEDLN C=C(Cl)C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C(=O)[O-] ZINC000910265559 709849996 /nfs/dbraw/zinc/84/99/96/709849996.db2.gz HNTCITGYISAGOF-GFCCVEGCSA-N 0 2 321.764 1.897 20 30 DDEDLN C=CCCC[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(=O)[O-] ZINC000910927224 710122663 /nfs/dbraw/zinc/12/26/63/710122663.db2.gz YAVLDNYOAHPJGJ-BXUZGUMPSA-N 0 2 320.393 1.716 20 30 DDEDLN C=CCCC[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(=O)[O-] ZINC000910927224 710122668 /nfs/dbraw/zinc/12/26/68/710122668.db2.gz YAVLDNYOAHPJGJ-BXUZGUMPSA-N 0 2 320.393 1.716 20 30 DDEDLN C=CCSCCNC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000915205380 713412647 /nfs/dbraw/zinc/41/26/47/713412647.db2.gz QGFGEOQXTJJMIB-UHFFFAOYSA-N 0 2 311.411 1.319 20 30 DDEDLN Cc1[nH]c(-c2ccccc2)[nH+]c1C([O-])=C(C#N)C(=O)NC1CC1 ZINC000916927417 713474790 /nfs/dbraw/zinc/47/47/90/713474790.db2.gz JBOIKOJBUDCJID-ZDUSSCGKSA-N 0 2 308.341 1.986 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)o1 ZINC000921857433 713887678 /nfs/dbraw/zinc/88/76/78/713887678.db2.gz STLSAMBFSPIBRD-XCBNKYQSSA-N 0 2 324.280 1.397 20 30 DDEDLN C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-n2cc[nH+]c2)cn1 ZINC000962278206 717386485 /nfs/dbraw/zinc/38/64/85/717386485.db2.gz KVBJUSQIKVBQGZ-FOLVSLTJSA-N 0 2 309.373 1.113 20 30 DDEDLN C#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC001023698133 735406295 /nfs/dbraw/zinc/40/62/95/735406295.db2.gz RBAJIFOJBUMGFZ-HNNXBMFYSA-N 0 2 323.400 1.342 20 30 DDEDLN C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001027469411 738324228 /nfs/dbraw/zinc/32/42/28/738324228.db2.gz ZRKICYPKNIKCCM-LSDHHAIUSA-N 0 2 300.406 1.002 20 30 DDEDLN N#Cc1nccnc1N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001059097429 739932668 /nfs/dbraw/zinc/93/26/68/739932668.db2.gz APAVFRHZKUTGAO-IONNQARKSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001059097429 739932670 /nfs/dbraw/zinc/93/26/70/739932670.db2.gz APAVFRHZKUTGAO-IONNQARKSA-N 0 2 317.246 1.261 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2cc(F)cc(F)c2F)CCC1=O ZINC001190376591 745206905 /nfs/dbraw/zinc/20/69/05/745206905.db2.gz WMAFKLOUBXGVLL-SSDOTTSWSA-N 0 2 318.276 1.207 20 30 DDEDLN COC(=O)c1ccc(NS(=O)(=O)[C@@H](C)C#N)c(F)c1F ZINC001193157121 746000050 /nfs/dbraw/zinc/00/00/50/746000050.db2.gz BBWXROMZEWPQBR-LURJTMIESA-N 0 2 304.274 1.405 20 30 DDEDLN CCOC(=O)c1cc(NC(=O)c2ccc(O)c(C#N)c2)n[nH]1 ZINC001193494004 746119297 /nfs/dbraw/zinc/11/92/97/746119297.db2.gz HYLQGYYEVWMQJZ-UHFFFAOYSA-N 0 2 300.274 1.416 20 30 DDEDLN Cc1cc2n(n1)c(=O)cc(C)n2C(=O)c1cccc(C#N)c1O ZINC001193644066 746160729 /nfs/dbraw/zinc/16/07/29/746160729.db2.gz NPUMUZKUTUCSQY-UHFFFAOYSA-N 0 2 308.297 1.379 20 30 DDEDLN N#Cc1ncc(Cl)cc1NS(=O)(=O)C1CCC(=O)CC1 ZINC001194769408 746461311 /nfs/dbraw/zinc/46/13/11/746461311.db2.gz JZCIBMQIMKYAKT-UHFFFAOYSA-N 0 2 313.766 1.860 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1cccc(C(C)C)c1 ZINC001195180540 746539340 /nfs/dbraw/zinc/53/93/40/746539340.db2.gz XXBFZLKRBNYPDS-ZDUSSCGKSA-N 0 2 310.375 1.544 20 30 DDEDLN C#CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nnc2-c2ccccc2)[C@H]1C ZINC000994489780 746686879 /nfs/dbraw/zinc/68/68/79/746686879.db2.gz VBXQSUSXKYWEFT-UKRRQHHQSA-N 0 2 323.400 1.688 20 30 DDEDLN COc1cnc(NS(=O)(=O)c2ccc(C)c(C#N)c2)cn1 ZINC001201292974 748460802 /nfs/dbraw/zinc/46/08/02/748460802.db2.gz OWPLYOVVRNDDDH-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN COC(=O)CCCS(=O)(=O)Nc1cc(Cl)cnc1C#N ZINC001201906433 748635909 /nfs/dbraw/zinc/63/59/09/748635909.db2.gz VAUSQPZOUNCGLO-UHFFFAOYSA-N 0 2 317.754 1.302 20 30 DDEDLN N#Cc1cnc(NC/C=C\CNC(=O)C(F)C(F)(F)F)cn1 ZINC001107561811 750139611 /nfs/dbraw/zinc/13/96/11/750139611.db2.gz OKQOJRZSGAVPGK-JWXWKVPASA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1cnc(NC/C=C\CNC(=O)[C@@H](F)C(F)(F)F)cn1 ZINC001107561811 750139613 /nfs/dbraw/zinc/13/96/13/750139613.db2.gz OKQOJRZSGAVPGK-JWXWKVPASA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1cnc(NC/C=C\CNC(=O)C(F)C(F)(F)F)cn1 ZINC001107561813 750139630 /nfs/dbraw/zinc/13/96/30/750139630.db2.gz OKQOJRZSGAVPGK-SYBPUXJVSA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1cnc(NC/C=C\CNC(=O)[C@H](F)C(F)(F)F)cn1 ZINC001107561813 750139633 /nfs/dbraw/zinc/13/96/33/750139633.db2.gz OKQOJRZSGAVPGK-SYBPUXJVSA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1nccnc1NC/C=C/CNC(=O)C(F)C(F)(F)F ZINC001107560925 750139702 /nfs/dbraw/zinc/13/97/02/750139702.db2.gz FRNOPDCRTUURLJ-GPYPMJJRSA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1nccnc1NC/C=C/CNC(=O)[C@@H](F)C(F)(F)F ZINC001107560925 750139705 /nfs/dbraw/zinc/13/97/05/750139705.db2.gz FRNOPDCRTUURLJ-GPYPMJJRSA-N 0 2 317.246 1.333 20 30 DDEDLN CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001070706900 768685838 /nfs/dbraw/zinc/68/58/38/768685838.db2.gz NMAVUAQDRKFOEB-PWSUYJOCSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)N1CCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001070706900 768685841 /nfs/dbraw/zinc/68/58/41/768685841.db2.gz NMAVUAQDRKFOEB-PWSUYJOCSA-N 0 2 322.302 1.653 20 30 DDEDLN CN=c1c(N)cc(Cl)nn1C(=O)[C@H](C#N)Cc1cccs1 ZINC001177907419 778779490 /nfs/dbraw/zinc/77/94/90/778779490.db2.gz AMGGXBNIXGKOCW-QMMMGPOBSA-N 0 2 321.793 1.733 20 30 DDEDLN COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H](C#N)Cc1cccs1 ZINC001177908245 778779509 /nfs/dbraw/zinc/77/95/09/778779509.db2.gz JRNFOTVMXFOXQS-SCVCMEIPSA-N 0 2 310.350 1.542 20 30 DDEDLN CC[C@H](CNC(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001103340914 778801347 /nfs/dbraw/zinc/80/13/47/778801347.db2.gz OYJCWMWXGRBGCV-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001103340914 778801351 /nfs/dbraw/zinc/80/13/51/778801351.db2.gz OYJCWMWXGRBGCV-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN C=C(C)C(C)(C)C(=O)NCC1=CC[N@H+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001279614950 837594145 /nfs/dbraw/zinc/59/41/45/837594145.db2.gz QSPULJBDKLBKQJ-UHFFFAOYSA-N 0 2 319.409 1.361 20 30 DDEDLN C=C(C)C(C)(C)C(=O)NCC1=CC[N@@H+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001279614950 837594150 /nfs/dbraw/zinc/59/41/50/837594150.db2.gz QSPULJBDKLBKQJ-UHFFFAOYSA-N 0 2 319.409 1.361 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2cc(F)ccc2N)cc1F ZINC001203062813 860691008 /nfs/dbraw/zinc/69/10/08/860691008.db2.gz UZDLTCBBCFPMEX-UHFFFAOYSA-N 0 2 310.285 1.614 20 30 DDEDLN C#CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCc3[nH+]c[nH]c32)CC1 ZINC001161189702 866432928 /nfs/dbraw/zinc/43/29/28/866432928.db2.gz XYGFRFMPOGPOLT-HNNXBMFYSA-N 0 2 312.417 1.601 20 30 DDEDLN Cn1c(=O)[nH]c(N2CCC[C@@]3(CC=CCC3)C2)c(C#N)c1=O ZINC001337771947 869623948 /nfs/dbraw/zinc/62/39/48/869623948.db2.gz IYBFAFWCYSDBFI-INIZCTEOSA-N 0 2 300.362 1.272 20 30 DDEDLN Cn1c(=O)[nH]c(NCC[C@@]2(C)C[C@@]2(F)Cl)c(C#N)c1=O ZINC001337906543 869682167 /nfs/dbraw/zinc/68/21/67/869682167.db2.gz JLUHMASGBRBRMK-RYUDHWBXSA-N 0 2 300.721 1.062 20 30 DDEDLN Cn1ccnc1[C@H](C#N)C(=O)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC001346537836 873793659 /nfs/dbraw/zinc/79/36/59/873793659.db2.gz QKBCZPWANYHSTP-VXGBXAGGSA-N 0 2 303.362 1.964 20 30 DDEDLN Cc1ccc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)c(C(N)=O)c1 ZINC001363455634 886387949 /nfs/dbraw/zinc/38/79/49/886387949.db2.gz WXJPKGINMAJTNY-UHFFFAOYSA-N 0 2 310.313 1.627 20 30 DDEDLN Cn1c(=O)[nH]c(NC[C@@]2(O)CCCC(C)(C)CC2)c(C#N)c1=O ZINC001363744243 887122207 /nfs/dbraw/zinc/12/22/07/887122207.db2.gz IQJAYJNDBTWBIQ-MRXNPFEDSA-N 0 2 320.393 1.079 20 30 DDEDLN CC(C)(C)[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1 ZINC001363812280 887287107 /nfs/dbraw/zinc/28/71/07/887287107.db2.gz OPHKKCVUPWUKJD-CYBMUJFWSA-N 0 2 315.377 1.553 20 30 DDEDLN CC(C)(C)[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1 ZINC001363812280 887287121 /nfs/dbraw/zinc/28/71/21/887287121.db2.gz OPHKKCVUPWUKJD-CYBMUJFWSA-N 0 2 315.377 1.553 20 30 DDEDLN CC(C)CC[C@@H]1CCC[C@H]1Nc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001364145165 888021516 /nfs/dbraw/zinc/02/15/16/888021516.db2.gz BBKPCPBYJJMXAB-WCQYABFASA-N 0 2 304.394 1.962 20 30 DDEDLN C[C@H]1N(c2[nH]c(=O)n(C)c(=O)c2C#N)c2ccccc2C1(C)C ZINC001364226512 888174781 /nfs/dbraw/zinc/17/47/81/888174781.db2.gz FLPOLGRXUHFTRT-SNVBAGLBSA-N 0 2 310.357 1.763 20 30 DDEDLN Cc1cc(=O)c2c(O[C@H]3CCN(CC#N)C3)cc(O)cc2o1 ZINC001234815546 888208727 /nfs/dbraw/zinc/20/87/27/888208727.db2.gz VKPMONXYQUAHJU-LBPRGKRZSA-N 0 2 300.314 1.784 20 30 DDEDLN C#CCN(C(=O)c1[nH]nc(C)c1[O-])C1CC[NH+](CC=C)CC1 ZINC001278143838 889840196 /nfs/dbraw/zinc/84/01/96/889840196.db2.gz AKKIHGVJCXAFOB-UHFFFAOYSA-N 0 2 302.378 1.150 20 30 DDEDLN CC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)o1)c1ccccc1F ZINC001365435178 890793488 /nfs/dbraw/zinc/79/34/88/890793488.db2.gz ZRSDXVYCWBMYGZ-CQSZACIVSA-N 0 2 322.317 1.899 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1cnn2c1OCCC2 ZINC001258214988 898110171 /nfs/dbraw/zinc/11/01/71/898110171.db2.gz WDAPDJMVFMRYPX-UHFFFAOYSA-N 0 2 304.331 1.338 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cn1 ZINC001259495836 898700390 /nfs/dbraw/zinc/70/03/90/898700390.db2.gz ZNWBTDGJZWFJAO-UHFFFAOYSA-N 0 2 314.248 1.566 20 30 DDEDLN CCn1cc(S(=O)(=O)Nc2ccc(OC)c(C#N)c2)cn1 ZINC001259837863 898853498 /nfs/dbraw/zinc/85/34/98/898853498.db2.gz HMVGQOXPRZPZLJ-UHFFFAOYSA-N 0 2 306.347 1.584 20 30 DDEDLN N#Cc1nc(Cl)ccc1NS(=O)(=O)C1CCOCC1 ZINC001259907040 898916657 /nfs/dbraw/zinc/91/66/57/898916657.db2.gz IFTTUNGMTVDFBJ-UHFFFAOYSA-N 0 2 301.755 1.527 20 30 DDEDLN C=CCCOCC(=O)NCCN(C)C(=O)C(F)C(F)(F)F ZINC001284541700 909162196 /nfs/dbraw/zinc/16/21/96/909162196.db2.gz CNIYWSIASPSZDY-SNVBAGLBSA-N 0 2 314.279 1.054 20 30 DDEDLN C=CCCOCC(=O)NCCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001284541700 909162212 /nfs/dbraw/zinc/16/22/12/909162212.db2.gz CNIYWSIASPSZDY-SNVBAGLBSA-N 0 2 314.279 1.054 20 30 DDEDLN CC#CCCCC(=O)N(C)CCN(C)C(=O)C(F)C(F)(F)F ZINC001285380474 910444865 /nfs/dbraw/zinc/44/48/65/910444865.db2.gz WJVKNLNYTLPKLH-LBPRGKRZSA-N 0 2 324.318 1.997 20 30 DDEDLN CC#CCCCC(=O)N(C)CCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001285380474 910444874 /nfs/dbraw/zinc/44/48/74/910444874.db2.gz WJVKNLNYTLPKLH-LBPRGKRZSA-N 0 2 324.318 1.997 20 30 DDEDLN C[C@@H](C#N)S(=O)(=O)Nc1c2nsnc2ccc1Cl ZINC000088486505 185253106 /nfs/dbraw/zinc/25/31/06/185253106.db2.gz MZYMHBAGLZJANJ-YFKPBYRVSA-N 0 2 302.768 1.998 20 30 DDEDLN CSc1c[nH]nc1NS(=O)(=O)c1cccc(CC#N)c1 ZINC000585722733 354832570 /nfs/dbraw/zinc/83/25/70/354832570.db2.gz NTAZFQDRAPHBFR-UHFFFAOYSA-N 0 2 308.388 1.998 20 30 DDEDLN CC(C)C[C@H](C#N)NC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000597074454 357054269 /nfs/dbraw/zinc/05/42/69/357054269.db2.gz CZBPHVCRRILVTF-GFCCVEGCSA-N 0 2 300.318 1.698 20 30 DDEDLN N#CC[C@@H]1CCCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000598745642 357713285 /nfs/dbraw/zinc/71/32/85/357713285.db2.gz NYFLYYTXGXIBIG-NSHDSACASA-N 0 2 312.329 1.796 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cnn4ccncc34)nc21 ZINC000338676656 223260927 /nfs/dbraw/zinc/26/09/27/223260927.db2.gz CBLMLXJPGNXOII-JTQLQIEISA-N 0 2 317.312 1.799 20 30 DDEDLN CCCCc1cc(NS(=O)(=O)c2ccc(C#N)nc2)[nH]n1 ZINC000159951707 197375614 /nfs/dbraw/zinc/37/56/14/197375614.db2.gz UZQCWNYSIHCTLK-UHFFFAOYSA-N 0 2 305.363 1.820 20 30 DDEDLN Cc1sc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1[N+](=O)[O-] ZINC000026266178 182435059 /nfs/dbraw/zinc/43/50/59/182435059.db2.gz XTZLEIKQZOIXSH-UHFFFAOYSA-N 0 2 302.275 1.683 20 30 DDEDLN CCCC(=O)N1CCC[C@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)C1 ZINC000056291266 184009261 /nfs/dbraw/zinc/00/92/61/184009261.db2.gz USXMHYSQFRRLKW-JTQLQIEISA-N 0 2 314.349 1.130 20 30 DDEDLN CNc1ccc(C#N)cc1NS(=O)(=O)c1c(C)cnn1C ZINC000350970116 269699133 /nfs/dbraw/zinc/69/91/33/269699133.db2.gz GYHJBKYNLGBXFJ-UHFFFAOYSA-N 0 2 305.363 1.443 20 30 DDEDLN CC[C@H](C#N)NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000181003660 407943738 /nfs/dbraw/zinc/94/37/38/407943738.db2.gz QLUWEDOSRSJVMW-SNVBAGLBSA-N 0 2 300.318 1.618 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)NCCCC#N)=N2)cc1 ZINC000273145305 408079849 /nfs/dbraw/zinc/07/98/49/408079849.db2.gz ZPMMRWRSKDRHCT-UHFFFAOYSA-N 0 2 300.318 1.620 20 30 DDEDLN CCCn1nccc1NS(=O)(=O)c1ccc(C#N)cc1OC ZINC000184842711 408702283 /nfs/dbraw/zinc/70/22/83/408702283.db2.gz IWQDQMXDADNCSF-UHFFFAOYSA-N 0 2 320.374 1.974 20 30 DDEDLN C[C@H]1CCCN1S(=O)(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000185262956 408788160 /nfs/dbraw/zinc/78/81/60/408788160.db2.gz JYDPHYNWPCMZGK-JTQLQIEISA-N 0 2 311.411 1.651 20 30 DDEDLN CN(C)c1cccc(NS(=O)(=O)c2cncc(C#N)c2)n1 ZINC000357402361 410017945 /nfs/dbraw/zinc/01/79/45/410017945.db2.gz PWZVJDRUSFDNII-UHFFFAOYSA-N 0 2 303.347 1.215 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCOC[C@H]2C)cc1C#N ZINC000342953939 410025482 /nfs/dbraw/zinc/02/54/82/410025482.db2.gz WWWHNJJRPTZEKH-NXEZZACHSA-N 0 2 321.402 1.783 20 30 DDEDLN Cn1nc([N+](=O)[O-])cc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000357777928 410244883 /nfs/dbraw/zinc/24/48/83/410244883.db2.gz GNDSADDWOACXCR-MRVPVSSYSA-N 0 2 310.273 1.695 20 30 DDEDLN Cn1nc([N+](=O)[O-])cc1C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000357777928 410244886 /nfs/dbraw/zinc/24/48/86/410244886.db2.gz GNDSADDWOACXCR-MRVPVSSYSA-N 0 2 310.273 1.695 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc3c(c2)SCC(=O)N3)[nH]c1C#N ZINC000368072470 418685117 /nfs/dbraw/zinc/68/51/17/418685117.db2.gz PDUROYGEMCXGIM-UHFFFAOYSA-N 0 2 324.325 1.450 20 30 DDEDLN N#Cc1cc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)ccn1 ZINC000361676431 418698104 /nfs/dbraw/zinc/69/81/04/418698104.db2.gz YCNJBGDHIQQVIA-CYBMUJFWSA-N 0 2 306.329 1.761 20 30 DDEDLN N#Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000361676431 418698105 /nfs/dbraw/zinc/69/81/05/418698105.db2.gz YCNJBGDHIQQVIA-CYBMUJFWSA-N 0 2 306.329 1.761 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@](C)(O)C(C)C)cc1C#N ZINC000440232305 420562391 /nfs/dbraw/zinc/56/23/91/420562391.db2.gz NLVYIOMVKBIHCA-CQSZACIVSA-N 0 2 309.391 1.518 20 30 DDEDLN N#C[C@@]1(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)CC12CCCC2 ZINC000571090073 421688068 /nfs/dbraw/zinc/68/80/68/421688068.db2.gz NJKNZXJTEDKEBP-MRXNPFEDSA-N 0 2 315.377 1.690 20 30 DDEDLN C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[N@@H+]1CCc2ccccc2C1 ZINC000571620391 421731874 /nfs/dbraw/zinc/73/18/74/421731874.db2.gz RRFQLIAUWGROPL-NSHDSACASA-N 0 2 320.356 1.538 20 30 DDEDLN C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[n-]1)[N@H+]1CCc2ccccc2C1 ZINC000571620391 421731876 /nfs/dbraw/zinc/73/18/76/421731876.db2.gz RRFQLIAUWGROPL-NSHDSACASA-N 0 2 320.356 1.538 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2nnc(C3CC3)s2)c1 ZINC000583537822 422178577 /nfs/dbraw/zinc/17/85/77/422178577.db2.gz HVBDDNRXXHMKHU-UHFFFAOYSA-N 0 2 307.360 1.483 20 30 DDEDLN CCOc1ccc(S(=O)(=O)Nc2cc(CC#N)ccn2)cn1 ZINC000541932891 340990182 /nfs/dbraw/zinc/99/01/82/340990182.db2.gz FLAPTCRVDMZAQY-UHFFFAOYSA-N 0 2 318.358 1.742 20 30 DDEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cnoc2C)c1 ZINC000132597480 341129719 /nfs/dbraw/zinc/12/97/19/341129719.db2.gz HVLATPLVICEXAK-UHFFFAOYSA-N 0 2 321.358 1.700 20 30 DDEDLN C#C[C@H](CC)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000491815538 527353926 /nfs/dbraw/zinc/35/39/26/527353926.db2.gz UXCMIKODTQJXOB-GFCCVEGCSA-N 0 2 313.361 1.595 20 30 DDEDLN C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001120844674 782181232 /nfs/dbraw/zinc/18/12/32/782181232.db2.gz KQDZPINFEQRHGY-XVKPBYJWSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CN(C)C(=O)[C@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001120844674 782181239 /nfs/dbraw/zinc/18/12/39/782181239.db2.gz KQDZPINFEQRHGY-XVKPBYJWSA-N 0 2 319.262 1.507 20 30 DDEDLN N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@](F)(C(=O)[O-])C3)C2=O)cc1 ZINC000833073745 601551040 /nfs/dbraw/zinc/55/10/40/601551040.db2.gz XWGSAVMNAWDCAR-XJKSGUPXSA-N 0 2 317.320 1.162 20 30 DDEDLN N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@](F)(C(=O)[O-])C3)C2=O)cc1 ZINC000833073745 601551042 /nfs/dbraw/zinc/55/10/42/601551042.db2.gz XWGSAVMNAWDCAR-XJKSGUPXSA-N 0 2 317.320 1.162 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000825354137 604606706 /nfs/dbraw/zinc/60/67/06/604606706.db2.gz ZNLSLYJQDXDNGW-WFASDCNBSA-N 0 2 319.361 1.294 20 30 DDEDLN C[C@H](NC(=O)[O-])[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCO1 ZINC000825354137 604606708 /nfs/dbraw/zinc/60/67/08/604606708.db2.gz ZNLSLYJQDXDNGW-WFASDCNBSA-N 0 2 319.361 1.294 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])C[C@H]1[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000833966735 605685432 /nfs/dbraw/zinc/68/54/32/605685432.db2.gz NALAUVCMQKEHQB-RTXFEEFZSA-N 0 2 309.753 1.465 20 30 DDEDLN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000833830102 605892614 /nfs/dbraw/zinc/89/26/14/605892614.db2.gz JSINXQSZHPEPOV-NXEZZACHSA-N 0 2 322.390 1.536 20 30 DDEDLN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000833830102 605892616 /nfs/dbraw/zinc/89/26/16/605892616.db2.gz JSINXQSZHPEPOV-NXEZZACHSA-N 0 2 322.390 1.536 20 30 DDEDLN CNC(=O)CC1SC(=Nc2ccsc2)N(CCF)C1=O ZINC000797818026 700025251 /nfs/dbraw/zinc/02/52/51/700025251.db2.gz MCYRDIQXGFTMNF-SECBINFHSA-N 0 2 315.395 1.785 20 30 DDEDLN CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCF)C1=O ZINC000797818026 700025252 /nfs/dbraw/zinc/02/52/52/700025252.db2.gz MCYRDIQXGFTMNF-SECBINFHSA-N 0 2 315.395 1.785 20 30 DDEDLN O=[N+]([O-])c1ccc(C=NNS(=O)(=O)c2ccccc2)cc1O ZINC000748132258 700101324 /nfs/dbraw/zinc/10/13/24/700101324.db2.gz SFIWQQMFVAKOCC-UHFFFAOYSA-N 0 2 321.314 1.613 20 30 DDEDLN C[C@@H](C#N)Oc1ccccc1NC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000780680734 698547669 /nfs/dbraw/zinc/54/76/69/698547669.db2.gz IDTGAJGWSKTULN-QMMMGPOBSA-N 0 2 302.294 1.123 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)N3CC(C)C3)cc2[nH]c1=S ZINC000788195133 699289170 /nfs/dbraw/zinc/28/91/70/699289170.db2.gz HPXSFHYBWYHCFF-UHFFFAOYSA-N 0 2 315.398 1.963 20 30 DDEDLN COc1nccnc1NN=C1C(=O)Nc2c1c(C)ccc2F ZINC000763412788 700937297 /nfs/dbraw/zinc/93/72/97/700937297.db2.gz SUZAVAKMGHLYEQ-UHFFFAOYSA-N 0 2 301.281 1.701 20 30 DDEDLN Cn1ncc2c1nc(N=NCCCC1CCOCC1)[nH]c2=O ZINC000764909727 700990897 /nfs/dbraw/zinc/99/08/97/700990897.db2.gz LDYWQXPEIGPTCI-UHFFFAOYSA-N 0 2 304.354 1.673 20 30 DDEDLN CN1CC[C@@H](C(=O)C(C#N)c2nc3ccccc3o2)S1(=O)=O ZINC000842693596 702757974 /nfs/dbraw/zinc/75/79/74/702757974.db2.gz IIVKAMHOZCURGO-CABZTGNLSA-N 0 2 319.342 1.038 20 30 DDEDLN CN1CC[C@@H](C(=O)[C@H](C#N)c2nc3ccccc3o2)S1(=O)=O ZINC000842693596 702757976 /nfs/dbraw/zinc/75/79/76/702757976.db2.gz IIVKAMHOZCURGO-CABZTGNLSA-N 0 2 319.342 1.038 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1ccc2c(c1)CCCO2 ZINC000842740991 702765754 /nfs/dbraw/zinc/76/57/54/702765754.db2.gz ZNOOKKKPOKXBMP-AWEZNQCLSA-N 0 2 323.352 1.879 20 30 DDEDLN CC[C@H](C#N)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000845720232 703193224 /nfs/dbraw/zinc/19/32/24/703193224.db2.gz JYBBDFQMEUJQFU-NEPJUHHUSA-N 0 2 306.366 1.508 20 30 DDEDLN C=C[C@@H](C)ONC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000846544129 703294493 /nfs/dbraw/zinc/29/44/93/703294493.db2.gz OYDBBUVEUPOFIV-SECBINFHSA-N 0 2 319.386 1.941 20 30 DDEDLN C=C[C@@H](C)ONC(=O)c1cccc(C(=O)NO[C@H](C)C=C)c1O ZINC000846554521 703296154 /nfs/dbraw/zinc/29/61/54/703296154.db2.gz KEWBAPQBUHWDEY-GHMZBOCLSA-N 0 2 320.345 1.864 20 30 DDEDLN C=C[C@@H](C)O[N-]C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CC(C)C ZINC000846553199 703296207 /nfs/dbraw/zinc/29/62/07/703296207.db2.gz ZEJVTPSZOZZDDB-DGCLKSJQSA-N 0 2 308.382 1.105 20 30 DDEDLN C=C[C@@H](C)O[N-]C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CC(C)C ZINC000846553199 703296210 /nfs/dbraw/zinc/29/62/10/703296210.db2.gz ZEJVTPSZOZZDDB-DGCLKSJQSA-N 0 2 308.382 1.105 20 30 DDEDLN CN(Cc1ccccc1)C(=O)C(C#N)=C([O-])c1c[nH+]c2n1CCC2 ZINC000850977905 703769563 /nfs/dbraw/zinc/76/95/63/703769563.db2.gz GPXBGZQODHKXFN-AWEZNQCLSA-N 0 2 322.368 1.810 20 30 DDEDLN N#CC(C(=O)NC1CCCC1)=C([O-])c1c[nH+]c2n1CCCCC2 ZINC000857010333 704547035 /nfs/dbraw/zinc/54/70/35/704547035.db2.gz LGMPOKWCDXJYFS-ZDUSSCGKSA-N 0 2 314.389 1.991 20 30 DDEDLN C[C@H](CC#N)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000858919072 704772215 /nfs/dbraw/zinc/77/22/15/704772215.db2.gz CERAQIBCEZCLKX-SSDOTTSWSA-N 0 2 303.240 1.490 20 30 DDEDLN C=CCCONC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000862217522 705680925 /nfs/dbraw/zinc/68/09/25/705680925.db2.gz HZJGBICDUGKGKP-UHFFFAOYSA-N 0 2 306.240 1.696 20 30 DDEDLN Cn1ncc(C(F)(F)F)c1CNC(=O)C(F)C(F)(F)F ZINC000862421555 705714838 /nfs/dbraw/zinc/71/48/38/705714838.db2.gz YXTDFSZUQICENP-ZCFIWIBFSA-N 0 2 307.169 1.956 20 30 DDEDLN Cn1ncc(C(F)(F)F)c1CNC(=O)[C@@H](F)C(F)(F)F ZINC000862421555 705714842 /nfs/dbraw/zinc/71/48/42/705714842.db2.gz YXTDFSZUQICENP-ZCFIWIBFSA-N 0 2 307.169 1.956 20 30 DDEDLN C=CCCC[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(=O)[O-] ZINC000910924300 710120541 /nfs/dbraw/zinc/12/05/41/710120541.db2.gz ZIGSPQQHJJQZSX-HUUCEWRRSA-N 0 2 324.421 1.556 20 30 DDEDLN C=CCCC[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(=O)[O-] ZINC000910924300 710120543 /nfs/dbraw/zinc/12/05/43/710120543.db2.gz ZIGSPQQHJJQZSX-HUUCEWRRSA-N 0 2 324.421 1.556 20 30 DDEDLN N#CC1(CS(=O)(=O)NCC(F)(F)C2(O)CCCCC2)CC1 ZINC000908495944 712789888 /nfs/dbraw/zinc/78/98/88/712789888.db2.gz GLOVRQRSHUTRDZ-UHFFFAOYSA-N 0 2 322.377 1.540 20 30 DDEDLN C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@@H]1SC(=N)NC1=O ZINC000908645908 712828297 /nfs/dbraw/zinc/82/82/97/712828297.db2.gz FKCPCYASFZKPJG-KOLCDFICSA-N 0 2 309.391 1.069 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)C(F)C(F)(F)F ZINC001104848242 737278632 /nfs/dbraw/zinc/27/86/32/737278632.db2.gz YSIZCIJRYNOYCQ-XVKPBYJWSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001104848242 737278636 /nfs/dbraw/zinc/27/86/36/737278636.db2.gz YSIZCIJRYNOYCQ-XVKPBYJWSA-N 0 2 319.262 1.507 20 30 DDEDLN C#CC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001040312070 742407979 /nfs/dbraw/zinc/40/79/79/742407979.db2.gz ZOKZMKXGBBHTKM-SFHVURJKSA-N 0 2 314.433 1.300 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2cnc(Cl)nc2)cc1C#N ZINC001185045097 744150448 /nfs/dbraw/zinc/15/04/48/744150448.db2.gz WNOZQSUIERBHGK-UHFFFAOYSA-N 0 2 324.749 1.811 20 30 DDEDLN N#Cc1nccc(NC2(CNC(=O)C(F)C(F)(F)F)CC2)n1 ZINC001110375575 744341635 /nfs/dbraw/zinc/34/16/35/744341635.db2.gz NDSDPNNYHWKINQ-VIFPVBQESA-N 0 2 317.246 1.309 20 30 DDEDLN N#Cc1nccc(NC2(CNC(=O)[C@H](F)C(F)(F)F)CC2)n1 ZINC001110375575 744341636 /nfs/dbraw/zinc/34/16/36/744341636.db2.gz NDSDPNNYHWKINQ-VIFPVBQESA-N 0 2 317.246 1.309 20 30 DDEDLN COC(=O)c1cc(Cl)cc(NS(=O)(=O)[C@@H](C)C#N)c1 ZINC001193149513 745997134 /nfs/dbraw/zinc/99/71/34/745997134.db2.gz PDYGQVQYEQNKML-ZETCQYMHSA-N 0 2 302.739 1.780 20 30 DDEDLN N#Cc1ccc(C(=O)n2c(N)nc(=O)c3ccccc32)c(O)c1 ZINC001195758364 746687821 /nfs/dbraw/zinc/68/78/21/746687821.db2.gz NZGHTPHYOYQGMC-UHFFFAOYSA-N 0 2 306.281 1.487 20 30 DDEDLN C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001095322126 749161698 /nfs/dbraw/zinc/16/16/98/749161698.db2.gz SGIIJISBXVGKHA-VWYCJHECSA-N 0 2 310.785 1.511 20 30 DDEDLN C=C(Cl)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C2 ZINC001095322126 749161703 /nfs/dbraw/zinc/16/17/03/749161703.db2.gz SGIIJISBXVGKHA-VWYCJHECSA-N 0 2 310.785 1.511 20 30 DDEDLN C[C@H](CNc1ncccc1C#N)NC(=O)C(F)C(F)(F)F ZINC001108170989 753346319 /nfs/dbraw/zinc/34/63/19/753346319.db2.gz UVACIKAUDZSRKR-VXNVDRBHSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@H](CNc1ncccc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001108170989 753346323 /nfs/dbraw/zinc/34/63/23/753346323.db2.gz UVACIKAUDZSRKR-VXNVDRBHSA-N 0 2 304.247 1.770 20 30 DDEDLN Cc1cc(C#N)nc(NCCNC(=O)C(F)C(F)(F)F)n1 ZINC001094182544 775505246 /nfs/dbraw/zinc/50/52/46/775505246.db2.gz GZKIKPULMJMVBL-QMMMGPOBSA-N 0 2 305.235 1.085 20 30 DDEDLN Cc1cc(C#N)nc(NCCNC(=O)[C@H](F)C(F)(F)F)n1 ZINC001094182544 775505260 /nfs/dbraw/zinc/50/52/60/775505260.db2.gz GZKIKPULMJMVBL-QMMMGPOBSA-N 0 2 305.235 1.085 20 30 DDEDLN C=CCNC(=O)CN(CCC)Cc1nc(=O)c2sccc2[nH]1 ZINC001116340800 780497940 /nfs/dbraw/zinc/49/79/40/780497940.db2.gz WDFYCGVOGKVBNF-UHFFFAOYSA-N 0 2 320.418 1.911 20 30 DDEDLN CC(C)(C)C#CC(=O)NC[C@@H]1CCCCN1Cc1n[nH]c(=O)[nH]1 ZINC001266842626 836914630 /nfs/dbraw/zinc/91/46/30/836914630.db2.gz RIETYXDYJVJTMO-LBPRGKRZSA-N 0 2 319.409 1.031 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)nn1 ZINC001095758576 855322878 /nfs/dbraw/zinc/32/28/78/855322878.db2.gz NTLBVNUSGNSIFJ-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN CN(CCCNC(=O)[C@H](F)C(F)(F)F)c1ccc(C#N)nn1 ZINC001095758576 855322890 /nfs/dbraw/zinc/32/28/90/855322890.db2.gz NTLBVNUSGNSIFJ-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C2)C1 ZINC001072870354 857824447 /nfs/dbraw/zinc/82/44/47/857824447.db2.gz GGIOFSVCYYLORP-OAHLLOKOSA-N 0 2 312.417 1.003 20 30 DDEDLN COc1ccc(N)cc1S(=O)(=O)Nc1cnc(C#N)c(F)c1 ZINC001203059893 860684306 /nfs/dbraw/zinc/68/43/06/860684306.db2.gz HXRKAJJHQRDWLR-UHFFFAOYSA-N 0 2 322.321 1.484 20 30 DDEDLN CC(C)(C)C#CC(=O)NC[C@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001299022082 870843272 /nfs/dbraw/zinc/84/32/72/870843272.db2.gz NDDDEUFALULGGM-MWLCHTKSSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)(C)C#CC(=O)NC[C@H]1CCN1C(=O)[C@@H](F)C(F)(F)F ZINC001299022082 870843277 /nfs/dbraw/zinc/84/32/77/870843277.db2.gz NDDDEUFALULGGM-MWLCHTKSSA-N 0 2 322.302 1.653 20 30 DDEDLN N#Cc1ccnnc1NCc1nnc(COc2ccccc2)[nH]1 ZINC001307098265 871395797 /nfs/dbraw/zinc/39/57/97/871395797.db2.gz JOIDHMIHBRXJIP-UHFFFAOYSA-N 0 2 307.317 1.657 20 30 DDEDLN CSc1nc(OC2=C(C)O[C@H](C)C2=O)c([N+](=O)[O-])c(=O)[nH]1 ZINC001227624913 883109481 /nfs/dbraw/zinc/10/94/81/883109481.db2.gz IRWLVIROPCQAPI-SCSAIBSYSA-N 0 2 313.291 1.410 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)N1C[C@H](CO)Cc2ccccc21 ZINC001362740229 884522580 /nfs/dbraw/zinc/52/25/80/884522580.db2.gz OQJCIBXGYJGBMY-GFCCVEGCSA-N 0 2 323.352 1.779 20 30 DDEDLN C[C@H](NC(=O)C(F)C(F)(F)F)c1nc(C(F)(F)F)n[nH]1 ZINC001363644241 886866000 /nfs/dbraw/zinc/86/60/00/886866000.db2.gz BVXLTEJAMKNKQC-STHAYSLISA-N 0 2 308.157 1.901 20 30 DDEDLN CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(C#N)cc2O)CC1 ZINC001233385686 886965950 /nfs/dbraw/zinc/96/59/50/886965950.db2.gz QGJBVCXRNKNTKQ-AWEZNQCLSA-N 0 2 316.357 1.608 20 30 DDEDLN CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(C#N)cc2O)CC1 ZINC001233385686 886965960 /nfs/dbraw/zinc/96/59/60/886965960.db2.gz QGJBVCXRNKNTKQ-AWEZNQCLSA-N 0 2 316.357 1.608 20 30 DDEDLN CSc1ccc(F)cc1CNc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001364143443 888017674 /nfs/dbraw/zinc/01/76/74/888017674.db2.gz CBKRRYJGGUVODU-UHFFFAOYSA-N 0 2 320.349 1.418 20 30 DDEDLN N#Cc1cccc(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)n1 ZINC001364399747 888549257 /nfs/dbraw/zinc/54/92/57/888549257.db2.gz NJCJYNLGRSZEJC-SECBINFHSA-N 0 2 313.321 1.188 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2c(F)cccc2F)CCC1=O ZINC001259066972 898445000 /nfs/dbraw/zinc/44/50/00/898445000.db2.gz HDWAHNJNDODZQA-QMMMGPOBSA-N 0 2 300.286 1.068 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2cccc3cnccc32)CCC1=O ZINC001259155002 898492398 /nfs/dbraw/zinc/49/23/98/898492398.db2.gz UWVCLUJTVOINKG-LBPRGKRZSA-N 0 2 315.354 1.338 20 30 DDEDLN Cn1cnc(NS(=O)(=O)Cc2ccccc2Cl)c1C#N ZINC001260690266 899219439 /nfs/dbraw/zinc/21/94/39/899219439.db2.gz BEVXRZPQYLARAA-UHFFFAOYSA-N 0 2 310.766 1.887 20 30 DDEDLN C=C[C@](C)(CC)C(=O)N[C@H](C)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001282744201 906013879 /nfs/dbraw/zinc/01/38/79/906013879.db2.gz MHUOMKTZYSKSBQ-MEBBXXQBSA-N 0 2 307.398 1.049 20 30 DDEDLN O=C(C#CC1CC1)N[C@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001294903854 915451221 /nfs/dbraw/zinc/45/12/21/915451221.db2.gz QRKWNIUUSHPPGT-PWSUYJOCSA-N 0 2 320.286 1.311 20 30 DDEDLN O=C(C#CC1CC1)N[C@H](CNC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001294903854 915451237 /nfs/dbraw/zinc/45/12/37/915451237.db2.gz QRKWNIUUSHPPGT-PWSUYJOCSA-N 0 2 320.286 1.311 20 30 DDEDLN CC[C@@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)[C@H](O)C(C)C ZINC000412752113 529662555 /nfs/dbraw/zinc/66/25/55/529662555.db2.gz OAJSARJGGFZFGW-VXGBXAGGSA-N 0 2 323.418 1.906 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC[C@](F)(C#N)C2)cc1C#N ZINC000615823735 362455091 /nfs/dbraw/zinc/45/50/91/362455091.db2.gz XZZUJUQDHOBYEW-ZDUSSCGKSA-N 0 2 306.322 1.459 20 30 DDEDLN CC[C@@]1(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)CCOC1 ZINC000616690593 362781397 /nfs/dbraw/zinc/78/13/97/362781397.db2.gz VBFXUPSZJDPMNA-CQSZACIVSA-N 0 2 307.375 1.680 20 30 DDEDLN COc1ccc(/N=C2\NC(=O)[C@H](CC(=O)NC3CC3)S2)cc1 ZINC000028892665 352232694 /nfs/dbraw/zinc/23/26/94/352232694.db2.gz QHXGPRCUAYBCCM-LBPRGKRZSA-N 0 2 319.386 1.583 20 30 DDEDLN N#Cc1nc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)[nH]c1C#N ZINC000045580091 352416617 /nfs/dbraw/zinc/41/66/17/352416617.db2.gz FVDHBKDIXHAVKM-GFCCVEGCSA-N 0 2 313.704 1.749 20 30 DDEDLN N#Cc1cscc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000592795730 355695028 /nfs/dbraw/zinc/69/50/28/355695028.db2.gz HCZTWYBMHPKHGE-UHFFFAOYSA-N 0 2 303.347 1.463 20 30 DDEDLN COC(=O)c1cc(C(=O)[C@H](C#N)c2nc(C)cs2)n(C)n1 ZINC000601729945 358667178 /nfs/dbraw/zinc/66/71/78/358667178.db2.gz QYRVHKIBRXMKLR-QMMMGPOBSA-N 0 2 304.331 1.462 20 30 DDEDLN COC(=O)c1cc(C(=O)C(C#N)c2nc(C)cs2)n(C)n1 ZINC000601729945 358667183 /nfs/dbraw/zinc/66/71/83/358667183.db2.gz QYRVHKIBRXMKLR-QMMMGPOBSA-N 0 2 304.331 1.462 20 30 DDEDLN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccnn1C ZINC000266493235 205387381 /nfs/dbraw/zinc/38/73/81/205387381.db2.gz VWAJTDVUSCWZSY-UHFFFAOYSA-N 0 2 319.390 1.914 20 30 DDEDLN CCC/N=C1/NC(=O)C(CC(=O)Nc2ccc(C#N)cc2)S1 ZINC000102936344 407329220 /nfs/dbraw/zinc/32/92/20/407329220.db2.gz GCZVZWGOPIJGRI-LBPRGKRZSA-N 0 2 316.386 1.884 20 30 DDEDLN CCC/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(C#N)cc2)S1 ZINC000102936344 407329222 /nfs/dbraw/zinc/32/92/22/407329222.db2.gz GCZVZWGOPIJGRI-LBPRGKRZSA-N 0 2 316.386 1.884 20 30 DDEDLN C[C@H](Sc1n[nH]c(=O)[nH]1)C(=O)N(CCC#N)c1ccccc1 ZINC000187641236 407873214 /nfs/dbraw/zinc/87/32/14/407873214.db2.gz WSXMAJVHFGJSHS-JTQLQIEISA-N 0 2 317.374 1.938 20 30 DDEDLN N#Cc1ccc(NC(=O)CSc2n[nH]c(=O)[nH]2)cc1Cl ZINC000187634910 163024466 /nfs/dbraw/zinc/02/44/66/163024466.db2.gz KUMWRJDQVHEYDT-UHFFFAOYSA-N 0 2 309.738 1.766 20 30 DDEDLN Cc1ccc(C(O)=C(C#N)c2ccncn2)cc1S(C)(=O)=O ZINC000354457059 409871076 /nfs/dbraw/zinc/87/10/76/409871076.db2.gz CGGYPRZCZRBWMM-LBPRGKRZSA-N 0 2 315.354 1.679 20 30 DDEDLN Cc1nc(NS(=O)(=O)c2cncc(C#N)c2)cc(C2CC2)n1 ZINC000357370712 409997504 /nfs/dbraw/zinc/99/75/04/409997504.db2.gz MLBMXBCJDPVLJE-UHFFFAOYSA-N 0 2 315.358 1.730 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@]2(C)CCOC2)cc1C#N ZINC000354923727 410178893 /nfs/dbraw/zinc/17/88/93/410178893.db2.gz VXTQGHVAPHDRRW-AWEZNQCLSA-N 0 2 307.375 1.537 20 30 DDEDLN C[C@@H]1OCC[C@]1(C)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000329761410 410433524 /nfs/dbraw/zinc/43/35/24/410433524.db2.gz RJLFSGJQAFHWDY-WJWGPLDTSA-N 0 2 304.306 1.308 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cccc3c2OCCO3)cn1 ZINC000340128998 410692237 /nfs/dbraw/zinc/69/22/37/410692237.db2.gz LUWZZIPLWKTBPK-UHFFFAOYSA-N 0 2 317.326 1.525 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[C@@H](O)C2)cc1C#N ZINC000331062831 410927927 /nfs/dbraw/zinc/92/79/27/410927927.db2.gz OBJVTOSZFKMHQD-PSASIEDQSA-N 0 2 307.375 1.272 20 30 DDEDLN COC(=O)c1coc(S(=O)(=O)Nc2ncc(C#N)s2)c1 ZINC000611080774 416661926 /nfs/dbraw/zinc/66/19/26/416661926.db2.gz ODJYFPYAURYDFP-UHFFFAOYSA-N 0 2 313.316 1.195 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccoc2Br)[nH]c1C#N ZINC000193406584 222153986 /nfs/dbraw/zinc/15/39/86/222153986.db2.gz IVTXAXMUWFJIJF-UHFFFAOYSA-N 0 2 306.079 1.761 20 30 DDEDLN COC(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c(F)c1 ZINC000361386578 418641974 /nfs/dbraw/zinc/64/19/74/418641974.db2.gz MHMZTOVZNPSAAH-UHFFFAOYSA-N 0 2 313.248 1.331 20 30 DDEDLN COCn1nc(C)c(S(=O)(=O)Nc2cccc(C#N)c2)c1C ZINC000361529501 418671158 /nfs/dbraw/zinc/67/11/58/418671158.db2.gz UNPCEHCUSZDQPL-UHFFFAOYSA-N 0 2 320.374 1.776 20 30 DDEDLN CCn1nccc1S(=O)(=O)Nc1ccccc1O[C@H](C)C#N ZINC000274406645 222478834 /nfs/dbraw/zinc/47/88/34/222478834.db2.gz HCWSXRVBQWWPLK-LLVKDONJSA-N 0 2 320.374 1.995 20 30 DDEDLN CCO[C@H](C)c1ncc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)s1 ZINC000438968808 420473827 /nfs/dbraw/zinc/47/38/27/420473827.db2.gz QYWMTLFZBXPVGD-SSDOTTSWSA-N 0 2 316.346 1.959 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)NC(=O)/C=C/c2ccsc2)c1 ZINC000493124897 420763273 /nfs/dbraw/zinc/76/32/73/420763273.db2.gz FWMPZRCIFFJRHE-OWOJBTEDSA-N 0 2 319.367 1.533 20 30 DDEDLN C=CCN(CCc1ccco1)S(=O)(=O)NCC(F)(F)F ZINC000443039641 420738025 /nfs/dbraw/zinc/73/80/25/420738025.db2.gz IKDIDDLHUTUKGW-UHFFFAOYSA-N 0 2 312.313 1.707 20 30 DDEDLN CC(=O)NC[C@H](CC(=O)Nc1nc(C#N)c(C#N)[nH]1)CC(C)C ZINC000449804346 421087386 /nfs/dbraw/zinc/08/73/86/421087386.db2.gz RMMJPGFXULUNCJ-NSHDSACASA-N 0 2 316.365 1.280 20 30 DDEDLN C=CC[C@@H]1CCN(C(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[nH]2)C1 ZINC000628488374 422195400 /nfs/dbraw/zinc/19/54/00/422195400.db2.gz YDSPQQRUHBRSSW-SNVBAGLBSA-N 0 2 314.345 1.783 20 30 DDEDLN COC[C@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C1CC1 ZINC000124469921 281190807 /nfs/dbraw/zinc/19/08/07/281190807.db2.gz LPDSSVYRBQHWIU-NSHDSACASA-N 0 2 307.375 1.123 20 30 DDEDLN C[NH+]1CCC(C#N)(NC(=O)c2ccc(-c3nnc[nH]3)cc2)CC1 ZINC000547456032 341214749 /nfs/dbraw/zinc/21/47/49/341214749.db2.gz HPWIAXWNRBFPFV-UHFFFAOYSA-N 0 2 310.361 1.189 20 30 DDEDLN N#Cc1c(F)cccc1C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000425303937 484115643 /nfs/dbraw/zinc/11/56/43/484115643.db2.gz PMAXCMCXHKAOME-SECBINFHSA-N 0 2 316.292 1.806 20 30 DDEDLN CN(CCC(=O)Nc1nc(C#N)c(C#N)[nH]1)C(=O)OC(C)(C)C ZINC000287486730 517925125 /nfs/dbraw/zinc/92/51/25/517925125.db2.gz IMLCOKVRTNBTLP-UHFFFAOYSA-N 0 2 318.337 1.349 20 30 DDEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ncc(C)o2)c1 ZINC000443364637 526659926 /nfs/dbraw/zinc/65/99/26/526659926.db2.gz HOUOQKWQQHGPAN-UHFFFAOYSA-N 0 2 321.358 1.700 20 30 DDEDLN C[C@@](C#N)(CC(=O)[O-])C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000819842232 598225539 /nfs/dbraw/zinc/22/55/39/598225539.db2.gz LSCTWXFPUMLTRF-INIZCTEOSA-N 0 2 312.329 1.493 20 30 DDEDLN C[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830940759 600681775 /nfs/dbraw/zinc/68/17/75/600681775.db2.gz JEDQOUKWZSZZLH-UONOGXRCSA-N 0 2 302.330 1.711 20 30 DDEDLN C[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830940759 600681777 /nfs/dbraw/zinc/68/17/77/600681777.db2.gz JEDQOUKWZSZZLH-UONOGXRCSA-N 0 2 302.330 1.711 20 30 DDEDLN N#C[C@H]1CN(C(=O)[O-])CCN1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000831091454 603726456 /nfs/dbraw/zinc/72/64/56/603726456.db2.gz FFWZMFGQRHWPSC-HNNXBMFYSA-N 0 2 311.345 1.560 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@H+](CCOc2ccccc2C#N)CCO1 ZINC000825353825 604600458 /nfs/dbraw/zinc/60/04/58/604600458.db2.gz XXZZFXYWJOTANQ-IUODEOHRSA-N 0 2 319.361 1.294 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCO1 ZINC000825353825 604600460 /nfs/dbraw/zinc/60/04/60/604600460.db2.gz XXZZFXYWJOTANQ-IUODEOHRSA-N 0 2 319.361 1.294 20 30 DDEDLN CCC[N@H+](CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1C#N ZINC000829472953 604965414 /nfs/dbraw/zinc/96/54/14/604965414.db2.gz HSVSQDUFRYPBOX-UHFFFAOYSA-N 0 2 309.753 1.947 20 30 DDEDLN CCC[N@@H+](CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1C#N ZINC000829472953 604965417 /nfs/dbraw/zinc/96/54/17/604965417.db2.gz HSVSQDUFRYPBOX-UHFFFAOYSA-N 0 2 309.753 1.947 20 30 DDEDLN N#C[C@H]1CN(C(=O)[O-])C[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000833967053 605687614 /nfs/dbraw/zinc/68/76/14/605687614.db2.gz PFCGSTLZZYVNEF-ZFWWWQNUSA-N 0 2 311.345 1.464 20 30 DDEDLN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738633089 605912440 /nfs/dbraw/zinc/91/24/40/605912440.db2.gz VQNPUZMIGIHVBU-MFKMUULPSA-N 0 2 302.334 1.227 20 30 DDEDLN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](NC(=O)[O-])C1 ZINC000738633089 605912442 /nfs/dbraw/zinc/91/24/42/605912442.db2.gz VQNPUZMIGIHVBU-MFKMUULPSA-N 0 2 302.334 1.227 20 30 DDEDLN COc1cc(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)ccc1C ZINC000122682415 696724196 /nfs/dbraw/zinc/72/41/96/696724196.db2.gz VCSBUMJMYNEKJM-CYBMUJFWSA-N 0 2 311.341 1.871 20 30 DDEDLN COCc1nc(C(=O)[C@@H](C#N)C(=O)Nc2ccccn2)cs1 ZINC000126312295 696760859 /nfs/dbraw/zinc/76/08/59/696760859.db2.gz GOGNJVJFSRPVFY-SECBINFHSA-N 0 2 316.342 1.646 20 30 DDEDLN COc1cncc(S(=O)(=O)Nc2cc(C#N)ccc2O)c1 ZINC000799123420 700119773 /nfs/dbraw/zinc/11/97/73/700119773.db2.gz VDJKUNMBNYFWOC-UHFFFAOYSA-N 0 2 305.315 1.468 20 30 DDEDLN C=CCc1cc(C(=O)OCc2n[nH]c(=O)[nH]2)cc(OC)c1OC ZINC000774894188 697939315 /nfs/dbraw/zinc/93/93/15/697939315.db2.gz DEGNFYSNPKDKJJ-UHFFFAOYSA-N 0 2 319.317 1.613 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)CNC(=O)C(C)(C)C)nc21 ZINC000750722671 700243040 /nfs/dbraw/zinc/24/30/40/700243040.db2.gz JCFCVOHNVXNEHU-SNVBAGLBSA-N 0 2 313.361 1.605 20 30 DDEDLN N#CCCNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000426438246 699154848 /nfs/dbraw/zinc/15/48/48/699154848.db2.gz SEZAMEFMGFJNOA-UHFFFAOYSA-N 0 2 300.322 1.097 20 30 DDEDLN C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CCN1CC(F)(F)F ZINC000788308363 699300985 /nfs/dbraw/zinc/30/09/85/699300985.db2.gz IYPSRMKQXMDRIC-RNFRBKRXSA-N 0 2 310.213 1.982 20 30 DDEDLN C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CCN1CC(F)(F)F ZINC000788308363 699300987 /nfs/dbraw/zinc/30/09/87/699300987.db2.gz IYPSRMKQXMDRIC-RNFRBKRXSA-N 0 2 310.213 1.982 20 30 DDEDLN C#CCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000733286715 699586659 /nfs/dbraw/zinc/58/66/59/699586659.db2.gz BPRSHOANDPIADA-UHFFFAOYSA-N 0 2 301.371 1.458 20 30 DDEDLN N#CC(C(=O)Cn1cnc([N+](=O)[O-])n1)c1nccc2ccccc21 ZINC000792103333 699675270 /nfs/dbraw/zinc/67/52/70/699675270.db2.gz JSHLQAGEOPAKKJ-LBPRGKRZSA-N 0 2 322.284 1.611 20 30 DDEDLN N#C[C@@H](C(=O)Cn1cnc([N+](=O)[O-])n1)c1nccc2ccccc21 ZINC000792103333 699675271 /nfs/dbraw/zinc/67/52/71/699675271.db2.gz JSHLQAGEOPAKKJ-LBPRGKRZSA-N 0 2 322.284 1.611 20 30 DDEDLN C[C@@H](NC(=S)NN=Cc1cc([N+](=O)[O-])ccc1O)C1CC1 ZINC000751530647 700297445 /nfs/dbraw/zinc/29/74/45/700297445.db2.gz DKBUEPVSRIYREV-MRVPVSSYSA-N 0 2 308.363 1.897 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1ccccc1CC#N ZINC000761113267 700844287 /nfs/dbraw/zinc/84/42/87/700844287.db2.gz GSNBSNRWEFUZAK-CQSZACIVSA-N 0 2 306.325 1.620 20 30 DDEDLN O=C(NCC[S@](=O)CC(F)(F)F)C(F)(F)C(F)F ZINC000855273041 704476743 /nfs/dbraw/zinc/47/67/43/704476743.db2.gz VDMSAJWTFQCKNS-SFHVURJKSA-N 0 2 303.199 1.314 20 30 DDEDLN C#C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000856104190 704513898 /nfs/dbraw/zinc/51/38/98/704513898.db2.gz RNZYOXDKAWFXID-ZDUSSCGKSA-N 0 2 304.302 1.459 20 30 DDEDLN Cc1cccc2c1O[C@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C2 ZINC000835234974 707201038 /nfs/dbraw/zinc/20/10/38/707201038.db2.gz LLHZYOAFKNGHAE-OLZOCXBDSA-N 0 2 309.325 1.624 20 30 DDEDLN N#Cc1c[nH]c(=O)n(C[C@H]2CCC[C@@H](c3ccccc3)O2)c1=O ZINC000882178363 707527937 /nfs/dbraw/zinc/52/79/37/707527937.db2.gz GTZSBYFPPJZKQC-CABCVRRESA-N 0 2 311.341 1.719 20 30 DDEDLN C=CCC1(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCCCC1 ZINC000836957595 707554370 /nfs/dbraw/zinc/55/43/70/707554370.db2.gz VCPPKCXQYAJCOJ-UHFFFAOYSA-N 0 2 315.377 1.466 20 30 DDEDLN CCS(=O)(CC)=NS(=O)(=O)N[C@](C)(C#N)C(C)(C)C ZINC000903105248 711032538 /nfs/dbraw/zinc/03/25/38/711032538.db2.gz BEMAGGFDPWLDBO-LLVKDONJSA-N 0 2 309.457 1.657 20 30 DDEDLN C#CCSCC(=O)N[C@@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC000913557633 713259212 /nfs/dbraw/zinc/25/92/12/713259212.db2.gz CWBNTXSVVYMLLU-LBPRGKRZSA-N 0 2 316.386 1.277 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)C2CCOCC2)n1 ZINC000920326529 713662299 /nfs/dbraw/zinc/66/22/99/713662299.db2.gz AOBWHSFPMTYEEK-JTQLQIEISA-N 0 2 308.359 1.923 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)C2CCOCC2)n1 ZINC000920326529 713662303 /nfs/dbraw/zinc/66/23/03/713662303.db2.gz AOBWHSFPMTYEEK-JTQLQIEISA-N 0 2 308.359 1.923 20 30 DDEDLN COCC#CC(=O)Nc1ccc(F)c(Br)c1O ZINC001187131832 744507905 /nfs/dbraw/zinc/50/79/05/744507905.db2.gz YIXVUFNSZYFDHF-UHFFFAOYSA-N 0 2 302.099 1.882 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2cc3c(s2)CCCC3)CCC1=O ZINC001187200371 744516989 /nfs/dbraw/zinc/51/69/89/744516989.db2.gz IXFQWPDVYOVFGS-LLVKDONJSA-N 0 2 324.427 1.730 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)Cc3nnc[nH]3)CCC[C@@H]12 ZINC000992399598 744855013 /nfs/dbraw/zinc/85/50/13/744855013.db2.gz CLJBYIIZRVMDSV-BXUZGUMPSA-N 0 2 309.801 1.213 20 30 DDEDLN N#Cc1cnn2c1ncc(C#N)c2NS(=O)(=O)CC1CCC1 ZINC001193479768 746116634 /nfs/dbraw/zinc/11/66/34/746116634.db2.gz BLNUZYYUZHTSJH-UHFFFAOYSA-N 0 2 316.346 1.014 20 30 DDEDLN C=CCN1CCn2ncc(CNC(=O)C(F)C(F)(F)F)c2C1 ZINC001128356221 746899947 /nfs/dbraw/zinc/89/99/47/746899947.db2.gz USXMCRKYUKYTTF-NSHDSACASA-N 0 2 320.290 1.401 20 30 DDEDLN C=CCN1CCn2ncc(CNC(=O)[C@H](F)C(F)(F)F)c2C1 ZINC001128356221 746899955 /nfs/dbraw/zinc/89/99/55/746899955.db2.gz USXMCRKYUKYTTF-NSHDSACASA-N 0 2 320.290 1.401 20 30 DDEDLN N#Cc1cncc(NC/C=C\CNC(=O)C(F)C(F)(F)F)n1 ZINC001107561603 750139742 /nfs/dbraw/zinc/13/97/42/750139742.db2.gz NSIBRDXSDYDUPI-SYBPUXJVSA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1cncc(NC/C=C\CNC(=O)[C@H](F)C(F)(F)F)n1 ZINC001107561603 750139746 /nfs/dbraw/zinc/13/97/46/750139746.db2.gz NSIBRDXSDYDUPI-SYBPUXJVSA-N 0 2 317.246 1.333 20 30 DDEDLN C#CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001054037959 759095820 /nfs/dbraw/zinc/09/58/20/759095820.db2.gz RTQUZYKOLOZZTG-HNNXBMFYSA-N 0 2 324.384 1.214 20 30 DDEDLN C#CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001054037959 759095829 /nfs/dbraw/zinc/09/58/29/759095829.db2.gz RTQUZYKOLOZZTG-HNNXBMFYSA-N 0 2 324.384 1.214 20 30 DDEDLN N#Cc1cccnc1N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001056803824 761443078 /nfs/dbraw/zinc/44/30/78/761443078.db2.gz BOGQIMHDYZAWNW-NXEZZACHSA-N 0 2 316.258 1.866 20 30 DDEDLN N#Cc1cccnc1N[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001056803824 761443084 /nfs/dbraw/zinc/44/30/84/761443084.db2.gz BOGQIMHDYZAWNW-NXEZZACHSA-N 0 2 316.258 1.866 20 30 DDEDLN C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C2 ZINC001109825062 764094897 /nfs/dbraw/zinc/09/48/97/764094897.db2.gz UTSODWONVRRDNL-OJLVUWQFSA-N 0 2 302.422 1.886 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132218240 768690668 /nfs/dbraw/zinc/69/06/68/768690668.db2.gz NYBWFOWMALCVEF-VXGBXAGGSA-N 0 2 321.425 1.582 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132218240 768690672 /nfs/dbraw/zinc/69/06/72/768690672.db2.gz NYBWFOWMALCVEF-VXGBXAGGSA-N 0 2 321.425 1.582 20 30 DDEDLN Cc1cc(=O)n(-c2ccc(C(=O)Nc3nc[nH]c3C#N)cc2)[nH]1 ZINC001148326878 773436807 /nfs/dbraw/zinc/43/68/07/773436807.db2.gz XJOHXCWJRKFHAL-UHFFFAOYSA-N 0 2 308.301 1.646 20 30 DDEDLN Cc1nc(N(C)CCNC(=O)C(F)C(F)(F)F)ccc1C#N ZINC001100366742 776059224 /nfs/dbraw/zinc/05/92/24/776059224.db2.gz GXXFWYBYKBIFSD-LLVKDONJSA-N 0 2 318.274 1.715 20 30 DDEDLN Cc1nc(N(C)CCNC(=O)[C@@H](F)C(F)(F)F)ccc1C#N ZINC001100366742 776059227 /nfs/dbraw/zinc/05/92/27/776059227.db2.gz GXXFWYBYKBIFSD-LLVKDONJSA-N 0 2 318.274 1.715 20 30 DDEDLN C=CCO[C@@H](C)C(=O)NCCCNC(=O)C(F)C(F)(F)F ZINC001350153129 837433928 /nfs/dbraw/zinc/43/39/28/837433928.db2.gz ZYMZJJCRKISOLA-IUCAKERBSA-N 0 2 314.279 1.100 20 30 DDEDLN C=CCO[C@@H](C)C(=O)NCCCNC(=O)[C@H](F)C(F)(F)F ZINC001350153129 837433941 /nfs/dbraw/zinc/43/39/41/837433941.db2.gz ZYMZJJCRKISOLA-IUCAKERBSA-N 0 2 314.279 1.100 20 30 DDEDLN C#CC[N@H+](C)CCC1CCN(C(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001271766904 844095710 /nfs/dbraw/zinc/09/57/10/844095710.db2.gz WEVZDIWJXUKHCI-UHFFFAOYSA-N 0 2 304.394 1.231 20 30 DDEDLN C#CC[N@@H+](C)CCC1CCN(C(=O)c2[nH]nc(C)c2[O-])CC1 ZINC001271766904 844095721 /nfs/dbraw/zinc/09/57/21/844095721.db2.gz WEVZDIWJXUKHCI-UHFFFAOYSA-N 0 2 304.394 1.231 20 30 DDEDLN Cc1[nH]ncc1CNS(=O)(=O)c1c(C)cc(F)cc1C#N ZINC001414203052 840253456 /nfs/dbraw/zinc/25/34/56/840253456.db2.gz UXPTZFAWLLNHMG-UHFFFAOYSA-N 0 2 308.338 1.516 20 30 DDEDLN CC(C)n1nnc(NS(=O)(=O)c2ccc(C#N)c(F)c2)n1 ZINC001424701396 844738006 /nfs/dbraw/zinc/73/80/06/844738006.db2.gz GJEBXLQAOJYICC-UHFFFAOYSA-N 0 2 310.314 1.066 20 30 DDEDLN C=CCCC(=O)NC[C@@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001356279180 878958068 /nfs/dbraw/zinc/95/80/68/878958068.db2.gz YJBPKMWSRHWPES-GXSJLCMTSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)NC[C@@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001356279180 878958082 /nfs/dbraw/zinc/95/80/82/878958082.db2.gz YJBPKMWSRHWPES-GXSJLCMTSA-N 0 2 310.291 1.960 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)c2nccnc2C)cc1C#N ZINC001361499278 881770218 /nfs/dbraw/zinc/77/02/18/881770218.db2.gz NMTYDFXVSHPCIL-UHFFFAOYSA-N 0 2 315.358 1.756 20 30 DDEDLN CC(C)C#CC(=O)NCC1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001333713825 866956761 /nfs/dbraw/zinc/95/67/61/866956761.db2.gz FOCSIGAQPNXMQT-CBINBANVSA-N 0 2 322.302 1.557 20 30 DDEDLN CC(C)C#CC(=O)NCC1CC(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001333713825 866956783 /nfs/dbraw/zinc/95/67/83/866956783.db2.gz FOCSIGAQPNXMQT-CBINBANVSA-N 0 2 322.302 1.557 20 30 DDEDLN C[N@H+]1[C@@H]2C[C@@H](Oc3c(F)c(F)c([O-])c(F)c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225880418 882083293 /nfs/dbraw/zinc/08/32/93/882083293.db2.gz SPUHWRGSNNFFMQ-HKUBEOBJSA-N 0 2 319.254 1.940 20 30 DDEDLN C[N@@H+]1[C@@H]2C[C@@H](Oc3c(F)c(F)c([O-])c(F)c3F)C[C@H]1[C@@H]1O[C@@H]12 ZINC001225880418 882083312 /nfs/dbraw/zinc/08/33/12/882083312.db2.gz SPUHWRGSNNFFMQ-HKUBEOBJSA-N 0 2 319.254 1.940 20 30 DDEDLN C=C[C@@H](COC)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001335172731 868111289 /nfs/dbraw/zinc/11/12/89/868111289.db2.gz ZYDXPQWHXXKMMR-QMMMGPOBSA-N 0 2 320.267 1.389 20 30 DDEDLN Cc1cc(C)cc(OCCNc2[nH]c(=O)n(C)c(=O)c2C#N)c1 ZINC001336495529 868974438 /nfs/dbraw/zinc/97/44/38/868974438.db2.gz QGINMBIGBCULNJ-UHFFFAOYSA-N 0 2 314.345 1.053 20 30 DDEDLN Cc1ncc([N+](=O)[O-])n1C[C@@H](C)Oc1[nH]c(=O)cc(C)c1C#N ZINC001226221688 882289459 /nfs/dbraw/zinc/28/94/59/882289459.db2.gz PLMDHHPQYQOEIG-SECBINFHSA-N 0 2 317.305 1.848 20 30 DDEDLN C#CCCCC(=O)NC[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001297743787 870167091 /nfs/dbraw/zinc/16/70/91/870167091.db2.gz DPZOUTBGLIZBCI-ONGXEEELSA-N 0 2 310.291 1.559 20 30 DDEDLN C#CCCCC(=O)NC[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001297743787 870167097 /nfs/dbraw/zinc/16/70/97/870167097.db2.gz DPZOUTBGLIZBCI-ONGXEEELSA-N 0 2 310.291 1.559 20 30 DDEDLN C#C[C@@H]1CCCN(c2nnc(-c3n[nH]c(Cl)n3)n2CC)C1 ZINC001340048096 870861596 /nfs/dbraw/zinc/86/15/96/870861596.db2.gz KNUSCCRRXIQDEJ-SECBINFHSA-N 0 2 305.773 1.586 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCOc2ccccc21 ZINC001344466676 873012971 /nfs/dbraw/zinc/01/29/71/873012971.db2.gz NKEWLEXJFGUQPH-CHWSQXEVSA-N 0 2 309.325 1.878 20 30 DDEDLN CCNC(=O)c1cccc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)c1 ZINC001362020614 882843233 /nfs/dbraw/zinc/84/32/33/882843233.db2.gz WMLFJAIQCYPGPH-UHFFFAOYSA-N 0 2 324.340 1.969 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c(F)c1 ZINC001362386163 883691688 /nfs/dbraw/zinc/69/16/88/883691688.db2.gz OQZMMCZMBPPIAX-SNVBAGLBSA-N 0 2 315.308 1.541 20 30 DDEDLN CCCn1ncc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)c1C1CC1 ZINC001363735546 887101682 /nfs/dbraw/zinc/10/16/82/887101682.db2.gz WCZZOXHSFZLRFP-UHFFFAOYSA-N 0 2 314.349 1.173 20 30 DDEDLN C[C@@H](NC(=O)c1cc(F)c(C#N)c(F)c1)c1nn(C)cc1O ZINC001363838998 887360065 /nfs/dbraw/zinc/36/00/65/887360065.db2.gz OBUQFVLFLQCLFC-SSDOTTSWSA-N 0 2 306.272 1.767 20 30 DDEDLN Cn1c(=O)[nH]c(N[C@H]2COc3ccc(Cl)cc32)c(C#N)c1=O ZINC001364560616 888927527 /nfs/dbraw/zinc/92/75/27/888927527.db2.gz RTLRFNNKTOADCJ-JTQLQIEISA-N 0 2 318.720 1.144 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cnc(C#N)nc2)cc1OC ZINC001257016061 897673390 /nfs/dbraw/zinc/67/33/90/897673390.db2.gz LGOKNEVCYPQCOQ-UHFFFAOYSA-N 0 2 320.330 1.166 20 30 DDEDLN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cncc(C#N)c1 ZINC001258346618 898146529 /nfs/dbraw/zinc/14/65/29/898146529.db2.gz VZVDQKFEDIVQAG-UHFFFAOYSA-N 0 2 311.754 1.449 20 30 DDEDLN C#Cc1nccnc1NS(=O)(=O)CCc1cccc(F)c1 ZINC001259767381 898789904 /nfs/dbraw/zinc/78/99/04/898789904.db2.gz LZGCPHQHQISFNX-UHFFFAOYSA-N 0 2 305.334 1.581 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)CCc2ccccc2F)CCC1=O ZINC001259783874 898801339 /nfs/dbraw/zinc/80/13/39/898801339.db2.gz VPYNFUQDIGQOMO-LBPRGKRZSA-N 0 2 310.350 1.113 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cnc(C#N)nc2)cc1F ZINC001260656939 899204797 /nfs/dbraw/zinc/20/47/97/899204797.db2.gz COFAAEUFLOOGPZ-UHFFFAOYSA-N 0 2 308.294 1.297 20 30 DDEDLN C=CCOCC(=O)N(C)CCCNC(=O)C(F)C(F)(F)F ZINC001294127704 914930349 /nfs/dbraw/zinc/93/03/49/914930349.db2.gz QTXZDSVFYJMTOM-SNVBAGLBSA-N 0 2 314.279 1.054 20 30 DDEDLN C=CCOCC(=O)N(C)CCCNC(=O)[C@@H](F)C(F)(F)F ZINC001294127704 914930355 /nfs/dbraw/zinc/93/03/55/914930355.db2.gz QTXZDSVFYJMTOM-SNVBAGLBSA-N 0 2 314.279 1.054 20 30 DDEDLN C=C(C)C[C@H](NC(C)=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000622795150 365529247 /nfs/dbraw/zinc/52/92/47/365529247.db2.gz DUAZMXXDKGTDDO-JTQLQIEISA-N 0 2 310.423 1.667 20 30 DDEDLN Cn1cc(S(=O)(=O)NC(=O)C2(C)CCCC2)cc1C(N)=O ZINC000069579493 353168498 /nfs/dbraw/zinc/16/84/98/353168498.db2.gz KWUKEXSVHQDDDA-UHFFFAOYSA-N 0 2 313.379 1.350 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)NC[C@H](C)C#N)=N2)cc1 ZINC000180769087 354265866 /nfs/dbraw/zinc/26/58/66/354265866.db2.gz JAXRBPUDUXRFSL-SNVBAGLBSA-N 0 2 300.318 1.476 20 30 DDEDLN COC1(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)CCOCC1 ZINC000329088091 222929959 /nfs/dbraw/zinc/92/99/59/222929959.db2.gz HUEDLLMFKOPKSE-UHFFFAOYSA-N 0 2 318.333 1.961 20 30 DDEDLN CC(C)(CCC(=O)[O-])Nc1[nH+]cnc2c1cnn2CCC#N ZINC000591326562 355289786 /nfs/dbraw/zinc/28/97/86/355289786.db2.gz GINCOSGGTSCHNU-UHFFFAOYSA-N 0 2 302.338 1.795 20 30 DDEDLN COC(C)(C)c1nc(=NC(=O)c2cccc(C#N)c2)s[nH]1 ZINC000601795329 358697563 /nfs/dbraw/zinc/69/75/63/358697563.db2.gz JTVXUZGDTZTGHC-UHFFFAOYSA-N 0 2 302.359 1.965 20 30 DDEDLN COC(C)(C)c1nc(=NC(=O)C2(C#N)CCOCC2)s[nH]1 ZINC000601794613 358697582 /nfs/dbraw/zinc/69/75/82/358697582.db2.gz DREYZJQXQGHSFE-UHFFFAOYSA-N 0 2 310.379 1.100 20 30 DDEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)c1c(C)cnn1C ZINC000285258945 218355023 /nfs/dbraw/zinc/35/50/23/218355023.db2.gz XHYCYNQJTZIBJK-UHFFFAOYSA-N 0 2 320.374 1.800 20 30 DDEDLN C=CCOc1cccc(C[N@@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000066115301 184390776 /nfs/dbraw/zinc/39/07/76/184390776.db2.gz OEVJYJUGQPDYGE-AWEZNQCLSA-N 0 2 304.346 1.027 20 30 DDEDLN C=CCOc1cccc(C[N@H+]2CCNC(=O)[C@@H]2CC(=O)[O-])c1 ZINC000066115301 184390779 /nfs/dbraw/zinc/39/07/79/184390779.db2.gz OEVJYJUGQPDYGE-AWEZNQCLSA-N 0 2 304.346 1.027 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)[nH]c1C#N ZINC000026274461 406903183 /nfs/dbraw/zinc/90/31/83/406903183.db2.gz CVUYDZBDEDTPMY-UHFFFAOYSA-N 0 2 320.312 1.754 20 30 DDEDLN N#Cc1nc(NC(=O)CCc2ccc3c(c2)OCCO3)[nH]c1C#N ZINC000026268942 406903867 /nfs/dbraw/zinc/90/38/67/406903867.db2.gz ZINGGHJGCVEVPJ-UHFFFAOYSA-N 0 2 323.312 1.496 20 30 DDEDLN COCCn1cc(NS(=O)(=O)c2ccccc2C#N)cn1 ZINC000048441157 407098430 /nfs/dbraw/zinc/09/84/30/407098430.db2.gz RBEVPTDNZARNKU-UHFFFAOYSA-N 0 2 306.347 1.202 20 30 DDEDLN CCc1nn(C)cc1NS(=O)(=O)c1cc(C#N)ccc1C ZINC000091021609 407174522 /nfs/dbraw/zinc/17/45/22/407174522.db2.gz BMJVOHNIJXKSLM-UHFFFAOYSA-N 0 2 304.375 1.963 20 30 DDEDLN CCc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1[N+](=O)[O-] ZINC000175302015 408101096 /nfs/dbraw/zinc/10/10/96/408101096.db2.gz XYPVGSCWKRNDLT-UHFFFAOYSA-N 0 2 310.273 1.876 20 30 DDEDLN Cn1ncc2c1[nH]cc(C(=O)NCc1ccc(C#N)cc1)c2=O ZINC000132738829 162044185 /nfs/dbraw/zinc/04/41/85/162044185.db2.gz BXFDIAPWHUQJQB-UHFFFAOYSA-N 0 2 307.313 1.476 20 30 DDEDLN COc1cc(C#N)ccc1OCCSCc1nnn(C)n1 ZINC000289455564 409275990 /nfs/dbraw/zinc/27/59/90/409275990.db2.gz UKTQJTNFFYQRSR-UHFFFAOYSA-N 0 2 305.363 1.403 20 30 DDEDLN N#Cc1ccc(N2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)nc1 ZINC000289463032 409277698 /nfs/dbraw/zinc/27/76/98/409277698.db2.gz AAWHECUMHSOPPX-NSHDSACASA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1ccc(N2CCN(C(=O)C(F)C(F)(F)F)CC2)nc1 ZINC000289463032 409277700 /nfs/dbraw/zinc/27/77/00/409277700.db2.gz AAWHECUMHSOPPX-NSHDSACASA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1c(Cl)nsc1N1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000280657470 409395707 /nfs/dbraw/zinc/39/57/07/409395707.db2.gz BBJKSIWGGQDIQN-UHFFFAOYSA-N 0 2 310.770 1.464 20 30 DDEDLN C[C@H]1CCC[C@@H](CC(=O)NS(=O)(=O)c2cncc(C#N)c2)C1 ZINC000408489351 164347719 /nfs/dbraw/zinc/34/77/19/164347719.db2.gz RSUIYUDRLJEEBY-NWDGAFQWSA-N 0 2 321.402 1.975 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cc(N(C)C)c3ccccc3n2)c1C#N ZINC000356176746 410877565 /nfs/dbraw/zinc/87/75/65/410877565.db2.gz SYMZLIODAISQBV-UHFFFAOYSA-N 0 2 320.356 2.456 20 30 DDEDLN CC[C@H](C#N)NC(=O)C(F)(F)C(F)(F)C(=O)N[C@@H](C#N)CC ZINC000266314590 222361206 /nfs/dbraw/zinc/36/12/06/222361206.db2.gz VDGLBACLKBPXFK-HTQZYQBOSA-N 0 2 322.262 1.094 20 30 DDEDLN C=CC[NH+]1CCC(NC(=O)[C@H]2COCC[N@H+]2CCCC)CC1 ZINC000376732458 418700946 /nfs/dbraw/zinc/70/09/46/418700946.db2.gz GIWIBYFTUXNPNU-MRXNPFEDSA-N 0 2 309.454 1.254 20 30 DDEDLN C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000365126645 418837975 /nfs/dbraw/zinc/83/79/75/418837975.db2.gz DQHOCRAYPARJRI-QWHCGFSZSA-N 0 2 310.313 1.787 20 30 DDEDLN CNc1ccc(C#N)cc1NS(=O)(=O)c1cnn(C)c1C ZINC000427317737 419633013 /nfs/dbraw/zinc/63/30/13/419633013.db2.gz XYAYJYWYFZXJNE-UHFFFAOYSA-N 0 2 305.363 1.443 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1C#N ZINC000428594000 419899568 /nfs/dbraw/zinc/89/95/68/419899568.db2.gz GJGSPTXKHLLGST-VXGBXAGGSA-N 0 2 321.402 1.756 20 30 DDEDLN C=CCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)OCC ZINC000456614785 420514949 /nfs/dbraw/zinc/51/49/49/420514949.db2.gz VLGMNFFZUQTYNF-LBPRGKRZSA-N 0 2 322.317 1.928 20 30 DDEDLN N#Cc1cc(NCc2nnc(COc3ccccc3)[nH]2)ncn1 ZINC000562437201 421366131 /nfs/dbraw/zinc/36/61/31/421366131.db2.gz AJTGTCVLCUAFGT-UHFFFAOYSA-N 0 2 307.317 1.657 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@]2(O)CCC[C@@H]2C)cc1C#N ZINC000359816496 269816301 /nfs/dbraw/zinc/81/63/01/269816301.db2.gz WEODSSRVNBWLTB-VFZGTOFNSA-N 0 2 321.402 1.662 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1CNC(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000576630359 422375430 /nfs/dbraw/zinc/37/54/30/422375430.db2.gz OUIKCUJWAAHZGM-FZMZJTMJSA-N 0 2 315.377 1.614 20 30 DDEDLN Cc1csc([C@@H](C#N)C(=O)c2coc(S(C)(=O)=O)c2)n1 ZINC000651259488 423455853 /nfs/dbraw/zinc/45/58/53/423455853.db2.gz SARWWSKQGBRAKM-VIFPVBQESA-N 0 2 310.356 1.938 20 30 DDEDLN Cc1csc(C(C#N)C(=O)c2coc(S(C)(=O)=O)c2)n1 ZINC000651259488 423455858 /nfs/dbraw/zinc/45/58/58/423455858.db2.gz SARWWSKQGBRAKM-VIFPVBQESA-N 0 2 310.356 1.938 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccn(CC(F)F)n2)cc1 ZINC000362009278 268207343 /nfs/dbraw/zinc/20/73/43/268207343.db2.gz AAQBSODCFWRPLK-UHFFFAOYSA-N 0 2 312.301 1.821 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cn(C(C)C)nn3)nc21 ZINC000562383263 332587081 /nfs/dbraw/zinc/58/70/81/332587081.db2.gz XQCHIVSWOVXHMQ-JTQLQIEISA-N 0 2 309.333 1.929 20 30 DDEDLN CC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000331251169 526525212 /nfs/dbraw/zinc/52/52/12/526525212.db2.gz XDKPSPOXONVQDP-UHFFFAOYSA-N 0 2 307.306 1.616 20 30 DDEDLN C=CC[C@@H](Cc1ccccc1)NC(=O)CSc1n[nH]c(=O)[nH]1 ZINC000412838217 527106718 /nfs/dbraw/zinc/10/67/18/527106718.db2.gz JNUKSPZJZZUDOL-LBPRGKRZSA-N 0 2 318.402 1.906 20 30 DDEDLN N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@](F)(C(=O)[O-])C3)C2=O)cc1 ZINC000833073742 601551091 /nfs/dbraw/zinc/55/10/91/601551091.db2.gz XWGSAVMNAWDCAR-BBRMVZONSA-N 0 2 317.320 1.162 20 30 DDEDLN N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@](F)(C(=O)[O-])C3)C2=O)cc1 ZINC000833073742 601551092 /nfs/dbraw/zinc/55/10/92/601551092.db2.gz XWGSAVMNAWDCAR-BBRMVZONSA-N 0 2 317.320 1.162 20 30 DDEDLN CCS(=O)(=O)CC[N@H+](C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833665825 604785228 /nfs/dbraw/zinc/78/52/28/604785228.db2.gz NGCHKCMDQMUYJQ-ZDUSSCGKSA-N 0 2 310.375 1.050 20 30 DDEDLN CCS(=O)(=O)CC[N@@H+](C)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833665825 604785231 /nfs/dbraw/zinc/78/52/31/604785231.db2.gz NGCHKCMDQMUYJQ-ZDUSSCGKSA-N 0 2 310.375 1.050 20 30 DDEDLN CC#CCN1CCO[C@]2(CCN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC000972389471 695238062 /nfs/dbraw/zinc/23/80/62/695238062.db2.gz OBWIUSSXSFXWGF-WCQYABFASA-N 0 2 322.302 1.213 20 30 DDEDLN Cn1cc2c(n1)CCC[C@@H]2C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000798842985 700101153 /nfs/dbraw/zinc/10/11/53/700101153.db2.gz CPFZAJMDFLDUPB-QWRGUYRKSA-N 0 2 311.345 1.165 20 30 DDEDLN C[C@H](C#N)Oc1ccccc1NS(=O)(=O)C[C@H]1CCCO1 ZINC000183128352 697483901 /nfs/dbraw/zinc/48/39/01/697483901.db2.gz YREQQFYOPCAGJN-VXGBXAGGSA-N 0 2 310.375 1.898 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N\CC2CCS(=O)(=O)CC2)c1 ZINC000255603686 698421463 /nfs/dbraw/zinc/42/14/63/698421463.db2.gz RNUSVUBHKKKGID-ZROIWOOFSA-N 0 2 312.347 1.544 20 30 DDEDLN N#Cc1ccc([C@H](O)C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000780993610 698580727 /nfs/dbraw/zinc/58/07/27/698580727.db2.gz JLOASJLABBFJJF-AWEZNQCLSA-N 0 2 313.269 1.844 20 30 DDEDLN COc1ncc(C(=O)C(C#N)c2cnc3ccccc3n2)cn1 ZINC000792111132 699676003 /nfs/dbraw/zinc/67/60/03/699676003.db2.gz RJGFEMHQSFFZIK-LLVKDONJSA-N 0 2 305.297 1.918 20 30 DDEDLN C[C@H]1CC(=[NH+]C([O-])=C2CCN(c3ccc(F)cc3)C2=O)NO1 ZINC000765369733 701008459 /nfs/dbraw/zinc/00/84/59/701008459.db2.gz SEXABJHSKLBYHW-JOYOIKCWSA-N 0 2 305.309 1.417 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)Cc1ccc(OCC#N)cc1 ZINC000770862325 701298167 /nfs/dbraw/zinc/29/81/67/701298167.db2.gz LUSHWEGLJTVEFW-CQSZACIVSA-N 0 2 322.324 1.457 20 30 DDEDLN C[C@@H]1CCC[C@@H](OCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000770868019 701298297 /nfs/dbraw/zinc/29/82/97/701298297.db2.gz BFVGSWXFFQQGTM-UPJWGTAASA-N 0 2 303.362 1.907 20 30 DDEDLN CCCN1C[C@H](C/N=C/c2cc([N+](=O)[O-])ccc2O)CC1=O ZINC000817707720 702457926 /nfs/dbraw/zinc/45/79/26/702457926.db2.gz MEGYXZIKQJOJLT-UJFYRASASA-N 0 2 305.334 1.978 20 30 DDEDLN C=C[C@H](C)ONC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000846541614 703294264 /nfs/dbraw/zinc/29/42/64/703294264.db2.gz JAIPGJCDKOYTDJ-WPRPVWTQSA-N 0 2 313.379 1.666 20 30 DDEDLN CC(C)(CN=Nc1ccc(CC(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000848414003 703547702 /nfs/dbraw/zinc/54/77/02/703547702.db2.gz HFGYXNQJYWFWSB-UHFFFAOYSA-N 0 2 305.378 1.822 20 30 DDEDLN CCOC1CC2(C[C@H]2C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000870242627 703970601 /nfs/dbraw/zinc/97/06/01/703970601.db2.gz FZRFNCDQWBQLSV-SLMGRZLQSA-N 0 2 301.346 1.517 20 30 DDEDLN N#Cc1cccc(O[N-]C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)c1 ZINC000870692050 704105326 /nfs/dbraw/zinc/10/53/26/704105326.db2.gz WIQICGKWBUVNMO-INIZCTEOSA-N 0 2 315.373 1.612 20 30 DDEDLN N#Cc1cccc(O[N-]C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)c1 ZINC000870692050 704105331 /nfs/dbraw/zinc/10/53/31/704105331.db2.gz WIQICGKWBUVNMO-INIZCTEOSA-N 0 2 315.373 1.612 20 30 DDEDLN O=C(N[C@H]1CCN(O)C1=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000820119630 704223708 /nfs/dbraw/zinc/22/37/08/704223708.db2.gz CQTJSYGNKHJCAS-QMMMGPOBSA-N 0 2 310.260 1.220 20 30 DDEDLN O=C(N[C@H]1CCCN(O)C1=O)c1cccc2nc(C(F)F)[nH]c21 ZINC000820543906 704296721 /nfs/dbraw/zinc/29/67/21/704296721.db2.gz BCYLAFQAMJVJCG-VIFPVBQESA-N 0 2 324.287 1.611 20 30 DDEDLN CCCCCCCNC(=O)Cc1c(C)nc2cc[nH]n2c1=O ZINC000862360273 705700521 /nfs/dbraw/zinc/70/05/21/705700521.db2.gz ZEHSIXFUACPTEI-UHFFFAOYSA-N 0 2 304.394 1.960 20 30 DDEDLN N#CCC(=O)N1CCN(C(=O)c2cccc(Cl)c2O)CC1 ZINC000826954495 705898087 /nfs/dbraw/zinc/89/80/87/705898087.db2.gz SXZNUYCVPSYZIV-UHFFFAOYSA-N 0 2 307.737 1.244 20 30 DDEDLN O=C1[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)CCN1C1CCC1 ZINC000864347622 706143792 /nfs/dbraw/zinc/14/37/92/706143792.db2.gz UZBLSGFRIWTXFD-LWLPBDFMSA-N 0 2 303.318 1.873 20 30 DDEDLN Cc1nc(C)c(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)s1 ZINC000892863270 710514759 /nfs/dbraw/zinc/51/47/59/710514759.db2.gz INNYJNVHMCAJHE-SNVBAGLBSA-N 0 2 302.359 1.628 20 30 DDEDLN C=C(C)C[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C(=O)[O-] ZINC000908846474 712867981 /nfs/dbraw/zinc/86/79/81/712867981.db2.gz OWEVPQJAMSNNGO-CYBMUJFWSA-N 0 2 320.393 1.481 20 30 DDEDLN C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000968925502 719875258 /nfs/dbraw/zinc/87/52/58/719875258.db2.gz FPWDPPLHBXCLGM-HOTGVXAUSA-N 0 2 316.449 1.992 20 30 DDEDLN CC#CC[NH+]1CC([C@@H](C)NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000970736495 720915345 /nfs/dbraw/zinc/91/53/45/720915345.db2.gz COWTWPUCPMKDQG-SNVBAGLBSA-N 0 2 314.345 1.002 20 30 DDEDLN C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644154 733397928 /nfs/dbraw/zinc/39/79/28/733397928.db2.gz DWLUDCQGAIMTAE-HOTGVXAUSA-N 0 2 300.406 1.219 20 30 DDEDLN C[C@@H](CNc1nccnc1C#N)N(C)C(=O)C(F)C(F)(F)F ZINC001104848176 737278707 /nfs/dbraw/zinc/27/87/07/737278707.db2.gz XBRWGBVREOTAKH-CBAPKCEASA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CNc1nccnc1C#N)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001104848176 737278711 /nfs/dbraw/zinc/27/87/11/737278711.db2.gz XBRWGBVREOTAKH-CBAPKCEASA-N 0 2 319.262 1.507 20 30 DDEDLN C=CCOCC(=O)NCC[C@H](C)NC(=O)C(F)C(F)(F)F ZINC001075920988 741990408 /nfs/dbraw/zinc/99/04/08/741990408.db2.gz CRWSLXPHKJCEPE-WPRPVWTQSA-N 0 2 314.279 1.100 20 30 DDEDLN C=CCOCC(=O)NCC[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC001075920988 741990410 /nfs/dbraw/zinc/99/04/10/741990410.db2.gz CRWSLXPHKJCEPE-WPRPVWTQSA-N 0 2 314.279 1.100 20 30 DDEDLN CC[C@H](CNC(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001103340964 743922544 /nfs/dbraw/zinc/92/25/44/743922544.db2.gz QIDODDHOIQLFJX-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN CC[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001103340964 743922548 /nfs/dbraw/zinc/92/25/48/743922548.db2.gz QIDODDHOIQLFJX-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN N#C[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCCO3)CCC1=O ZINC001185956879 744319256 /nfs/dbraw/zinc/31/92/56/744319256.db2.gz ZXFOFBIUWXQTGO-SNVBAGLBSA-N 0 2 301.302 1.404 20 30 DDEDLN C[C@H](CCNc1cnc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001106602715 745830648 /nfs/dbraw/zinc/83/06/48/745830648.db2.gz AOJZQYZQSPYXEA-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNc1cnc(C#N)cn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001106602715 745830654 /nfs/dbraw/zinc/83/06/54/745830654.db2.gz AOJZQYZQSPYXEA-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ccnc(OC)c2)c1 ZINC001193641453 746158327 /nfs/dbraw/zinc/15/83/27/746158327.db2.gz ZAJNDPPWMWIYBO-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN CSc1[nH]nc(NC(=O)c2ccc(C#N)cc2O)c1C(N)=O ZINC001195740486 746696469 /nfs/dbraw/zinc/69/64/69/746696469.db2.gz GJRHLGPJVDBFAW-UHFFFAOYSA-N 0 2 317.330 1.060 20 30 DDEDLN C[C@H](CNc1ncc(C#N)cc1F)NC(=O)C(F)C(F)(F)F ZINC001108170534 753344178 /nfs/dbraw/zinc/34/41/78/753344178.db2.gz HFMQOJNFMQFZPL-MUWHJKNJSA-N 0 2 322.237 1.909 20 30 DDEDLN C[C@H](CNc1ncc(C#N)cc1F)NC(=O)[C@H](F)C(F)(F)F ZINC001108170534 753344182 /nfs/dbraw/zinc/34/41/82/753344182.db2.gz HFMQOJNFMQFZPL-MUWHJKNJSA-N 0 2 322.237 1.909 20 30 DDEDLN O=C(C#CC1CC1)NC1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC001063307566 754079428 /nfs/dbraw/zinc/07/94/28/754079428.db2.gz WATLFAYUWZINDB-NSHDSACASA-N 0 2 320.286 1.455 20 30 DDEDLN O=C(C#CC1CC1)NC1(CNC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001063307566 754079430 /nfs/dbraw/zinc/07/94/30/754079430.db2.gz WATLFAYUWZINDB-NSHDSACASA-N 0 2 320.286 1.455 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)cn1 ZINC001098328111 767510693 /nfs/dbraw/zinc/51/06/93/767510693.db2.gz UBETUZXIRAKZBG-OIBJUYFYSA-N 0 2 304.247 1.770 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ccc(C#N)cn1 ZINC001098328111 767510698 /nfs/dbraw/zinc/51/06/98/767510698.db2.gz UBETUZXIRAKZBG-OIBJUYFYSA-N 0 2 304.247 1.770 20 30 DDEDLN C=CCN1c2ccccc2[C@@]2(CC[N@H+](Cc3c[nH]nn3)C2)C1=O ZINC001272568463 846322303 /nfs/dbraw/zinc/32/23/03/846322303.db2.gz FLJCBKPLHWZRAA-KRWDZBQOSA-N 0 2 309.373 1.481 20 30 DDEDLN C#Cc1cc(NC(=O)c2cc(=O)c3cccc(O)c3[nH]2)ccn1 ZINC001152670388 863483166 /nfs/dbraw/zinc/48/31/66/863483166.db2.gz UQVDGQYKZIAKQH-UHFFFAOYSA-N 0 2 305.293 1.697 20 30 DDEDLN Cn1c(=O)[nH]c(NCC[C@]2(C)C[C@@]2(F)Cl)c(C#N)c1=O ZINC001337906539 869682078 /nfs/dbraw/zinc/68/20/78/869682078.db2.gz JLUHMASGBRBRMK-NEPJUHHUSA-N 0 2 300.721 1.062 20 30 DDEDLN C=CCCC(=O)NC1CN(Cc2nc(=O)c3sccc3[nH]2)C1 ZINC001318007577 871682758 /nfs/dbraw/zinc/68/27/58/871682758.db2.gz NCARNMSJFWQUPQ-UHFFFAOYSA-N 0 2 318.402 1.664 20 30 DDEDLN C=CCN(CCOC)c1nnc(-c2c[nH]n(CC)c2=O)n1C ZINC001341790711 871825534 /nfs/dbraw/zinc/82/55/34/871825534.db2.gz URGIFXUYIXCCBE-UHFFFAOYSA-N 0 2 306.370 1.043 20 30 DDEDLN C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CC(C)(OC)C1 ZINC001343419788 872617408 /nfs/dbraw/zinc/61/74/08/872617408.db2.gz PXCUYKBYNZHDRU-UHFFFAOYSA-N 0 2 323.788 1.518 20 30 DDEDLN Cc1cc(C(C#N)C(=O)[C@@H]2CCCN(C3CC3)C2=O)nc(C)n1 ZINC001343496409 872646410 /nfs/dbraw/zinc/64/64/10/872646410.db2.gz ZQNMMEOBXFVXJA-KBPBESRZSA-N 0 2 312.373 1.671 20 30 DDEDLN Cc1cc([C@H](C#N)C(=O)[C@@H]2CCCN(C3CC3)C2=O)nc(C)n1 ZINC001343496409 872646415 /nfs/dbraw/zinc/64/64/15/872646415.db2.gz ZQNMMEOBXFVXJA-KBPBESRZSA-N 0 2 312.373 1.671 20 30 DDEDLN C#C[C@H](Oc1[nH]c(=O)nc2c(=O)[nH]c(=O)[nH]c21)c1ccccc1 ZINC001226888319 882703952 /nfs/dbraw/zinc/70/39/52/882703952.db2.gz OVBYLNVVVWWGHP-VIFPVBQESA-N 0 2 310.269 1.290 20 30 DDEDLN Cc1ccc(C(N)=O)cc1NC(=O)c1[nH]c(=O)c(C#N)cc1C ZINC001362082694 882989918 /nfs/dbraw/zinc/98/99/18/882989918.db2.gz LYPFJSNBWWUPAZ-UHFFFAOYSA-N 0 2 310.313 1.627 20 30 DDEDLN C#C[C@@H](C)N(C)c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1C ZINC001351095857 876054146 /nfs/dbraw/zinc/05/41/46/876054146.db2.gz VDARDFPSPBSLRZ-SECBINFHSA-N 0 2 301.306 1.554 20 30 DDEDLN C=C1CC(C)(C(=O)N(C)CCNC(=O)C(F)C(F)(F)F)C1 ZINC001355658552 878662971 /nfs/dbraw/zinc/66/29/71/878662971.db2.gz WEYKPOCAGYKXBS-SECBINFHSA-N 0 2 310.291 1.818 20 30 DDEDLN C=C1CC(C)(C(=O)N(C)CCNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001355658552 878662984 /nfs/dbraw/zinc/66/29/84/878662984.db2.gz WEYKPOCAGYKXBS-SECBINFHSA-N 0 2 310.291 1.818 20 30 DDEDLN C=C[C@H](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001228749945 883653291 /nfs/dbraw/zinc/65/32/91/883653291.db2.gz VRISVYBERSLPGC-WDEREUQCSA-N 0 2 307.398 1.049 20 30 DDEDLN O=C(CCC(F)(F)F)NC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001374620463 913444025 /nfs/dbraw/zinc/44/40/25/913444025.db2.gz GBFBCOVBWPSKJE-SSDOTTSWSA-N 0 2 324.196 1.556 20 30 DDEDLN O=C(CCC(F)(F)F)NC1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001374620463 913444033 /nfs/dbraw/zinc/44/40/33/913444033.db2.gz GBFBCOVBWPSKJE-SSDOTTSWSA-N 0 2 324.196 1.556 20 30 DDEDLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cc1 ZINC001251803449 894818136 /nfs/dbraw/zinc/81/81/36/894818136.db2.gz AFXFSAKYWMWCFA-UHFFFAOYSA-N 0 2 316.342 1.712 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2ccc(Cl)s2)CCC1=O ZINC001256447217 897440362 /nfs/dbraw/zinc/44/03/62/897440362.db2.gz DWDPHALKNRKBFI-ZETCQYMHSA-N 0 2 304.780 1.505 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2ccc3ncsc3c2)cn1 ZINC001259390894 898648080 /nfs/dbraw/zinc/64/80/80/898648080.db2.gz DUBGKQPKAVSYSZ-UHFFFAOYSA-N 0 2 317.355 1.759 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccn1 ZINC001259506222 898707678 /nfs/dbraw/zinc/70/76/78/898707678.db2.gz BQLBQAJVBZNFMP-UHFFFAOYSA-N 0 2 311.725 1.968 20 30 DDEDLN CC(=O)Nc1ccc(NS(=O)(=O)c2cnn(C)c2)cc1C#N ZINC001259826321 898835333 /nfs/dbraw/zinc/83/53/33/898835333.db2.gz ILHFDXFGRYTPBA-UHFFFAOYSA-N 0 2 319.346 1.051 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)C(F)C(F)(F)F)C2)C1 ZINC001293618545 914587803 /nfs/dbraw/zinc/58/78/03/914587803.db2.gz ZEEKYZVJLYBVBJ-ZJUUUORDSA-N 0 2 322.302 1.960 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001293618545 914587810 /nfs/dbraw/zinc/58/78/10/914587810.db2.gz ZEEKYZVJLYBVBJ-ZJUUUORDSA-N 0 2 322.302 1.960 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001284913876 909723027 /nfs/dbraw/zinc/72/30/27/909723027.db2.gz SLHZHYURUKSSDY-GZMMTYOYSA-N 0 2 310.291 1.816 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N1CC(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001284913876 909723043 /nfs/dbraw/zinc/72/30/43/909723043.db2.gz SLHZHYURUKSSDY-GZMMTYOYSA-N 0 2 310.291 1.816 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2c3c(nn2C)CCC3)ccc1C#N ZINC000278544648 214226620 /nfs/dbraw/zinc/22/66/20/214226620.db2.gz YBQRNFXAABLJET-UHFFFAOYSA-N 0 2 316.386 1.890 20 30 DDEDLN Cc1ccc2c(n1)[nH]cc(C(=O)NC[C@H]1COCCO1)c2=O ZINC000328906497 539299814 /nfs/dbraw/zinc/29/98/14/539299814.db2.gz KUFDHGYDKJEEJQ-JTQLQIEISA-N 0 2 303.318 1.364 20 30 DDEDLN CN=C1NC(=O)C(CC(=O)Nc2ccc(C(C)=O)cc2)S1 ZINC000021883924 352175104 /nfs/dbraw/zinc/17/51/04/352175104.db2.gz VVRLWTCAMVBACL-NSHDSACASA-N 0 2 305.359 1.435 20 30 DDEDLN CN=C1NC(=O)[C@H](CC(=O)Nc2ccc(C(C)=O)cc2)S1 ZINC000021883924 352175105 /nfs/dbraw/zinc/17/51/05/352175105.db2.gz VVRLWTCAMVBACL-NSHDSACASA-N 0 2 305.359 1.435 20 30 DDEDLN C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(C#N)ccc1F ZINC000174712271 198374196 /nfs/dbraw/zinc/37/41/96/198374196.db2.gz FOAWDNGHGZQYTA-UHFFFAOYSA-N 0 2 304.413 1.767 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)C[C@H]2CCCCO2)cc1C#N ZINC000154478820 354206539 /nfs/dbraw/zinc/20/65/39/354206539.db2.gz PFFPFRIEIATHAF-LLVKDONJSA-N 0 2 321.402 1.610 20 30 DDEDLN Cc1ncc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c(C)n1 ZINC000179913881 354263854 /nfs/dbraw/zinc/26/38/54/354263854.db2.gz FUGGYYBSSMLDGA-GFCCVEGCSA-N 0 2 310.361 1.901 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H](CO)CC2CC2)cc1C#N ZINC000598293004 357529265 /nfs/dbraw/zinc/52/92/65/357529265.db2.gz LLYMSOWIUVJFAH-JTQLQIEISA-N 0 2 321.402 1.519 20 30 DDEDLN Cc1nn(CC(F)(F)F)cc1C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000358914004 299279427 /nfs/dbraw/zinc/27/94/27/299279427.db2.gz JVJBJQBBUMFNQJ-UHFFFAOYSA-N 0 2 323.238 1.473 20 30 DDEDLN N#CC1(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)CCOCC1 ZINC000609449869 360307759 /nfs/dbraw/zinc/30/77/59/360307759.db2.gz VMDPMRICBJXIAI-UHFFFAOYSA-N 0 2 314.301 1.289 20 30 DDEDLN N#CCN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000613942115 361637882 /nfs/dbraw/zinc/63/78/82/361637882.db2.gz NLFHFXIZRZLAJT-UHFFFAOYSA-N 0 2 304.306 1.018 20 30 DDEDLN CCCCc1nnc(NS(=O)(=O)c2ccc(C#N)nc2)o1 ZINC000194805424 201292406 /nfs/dbraw/zinc/29/24/06/201292406.db2.gz NBAUEHXPROOMSS-UHFFFAOYSA-N 0 2 307.335 1.480 20 30 DDEDLN C#CCC(C)(C)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275385629 212302873 /nfs/dbraw/zinc/30/28/73/212302873.db2.gz MRZXRLDTUQNFRN-JTQLQIEISA-N 0 2 304.312 1.563 20 30 DDEDLN COC(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)nc1 ZINC000339132458 250308066 /nfs/dbraw/zinc/30/80/66/250308066.db2.gz JAKNQIPPFGGPQK-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN COC(=O)c1ccc(CCC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000109428780 194262901 /nfs/dbraw/zinc/26/29/01/194262901.db2.gz KYYUCVVKSUAPOK-UHFFFAOYSA-N 0 2 323.312 1.511 20 30 DDEDLN C[N@H+]1CCN(C(=O)Nc2ccc(C#N)cc2Cl)[C@@H](C[NH3+])C1 ZINC000579809576 422835545 /nfs/dbraw/zinc/83/55/45/422835545.db2.gz OOKZDUDSOQBSBI-NSHDSACASA-N 0 2 307.785 1.318 20 30 DDEDLN N#Cc1nc(NC(=O)COc2ccc(F)cc2F)[nH]c1C#N ZINC000026266071 406903421 /nfs/dbraw/zinc/90/34/21/406903421.db2.gz GTGMIVBRLDZPEI-UHFFFAOYSA-N 0 2 303.228 1.449 20 30 DDEDLN Cn1cc(S(=O)(=O)NC(=O)C=Cc2ccc(F)cc2)cn1 ZINC000048646556 407103783 /nfs/dbraw/zinc/10/37/83/407103783.db2.gz ORYZLLGSKGKCFH-DAXSKMNVSA-N 0 2 309.322 1.918 20 30 DDEDLN N#Cc1nc(NC(=O)c2cccc(OCC(F)F)n2)[nH]c1C#N ZINC000089706307 407143839 /nfs/dbraw/zinc/14/38/39/407143839.db2.gz LGNDEWCQAUKNQN-UHFFFAOYSA-N 0 2 318.243 1.444 20 30 DDEDLN COc1cccc([C@@H]2C[C@H]2C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000106905159 407365484 /nfs/dbraw/zinc/36/54/84/407365484.db2.gz KEHIZDHJSVMFJY-NWDGAFQWSA-N 0 2 307.313 1.904 20 30 DDEDLN CC[C@@H]1CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C[C@H](C)O1 ZINC000111644537 407413372 /nfs/dbraw/zinc/41/33/72/407413372.db2.gz UEMFKZIRJRTXGB-GXSJLCMTSA-N 0 2 321.402 1.608 20 30 DDEDLN CN(C)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)nc1 ZINC000116602526 407764539 /nfs/dbraw/zinc/76/45/39/407764539.db2.gz AGYMCZOCITUHII-UHFFFAOYSA-N 0 2 302.359 1.820 20 30 DDEDLN CC(C)NC(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000153177439 407770140 /nfs/dbraw/zinc/77/01/40/407770140.db2.gz IJZNYHJNBKUJNO-UHFFFAOYSA-N 0 2 322.328 1.544 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ccn(CCC#N)n2)cc1F ZINC000117741043 407853382 /nfs/dbraw/zinc/85/33/82/407853382.db2.gz KRWVPHFMCAZOHO-UHFFFAOYSA-N 0 2 324.337 1.745 20 30 DDEDLN N#Cc1nc(NC(=O)COCCOc2ccccc2)[nH]c1C#N ZINC000052557138 161537832 /nfs/dbraw/zinc/53/78/32/161537832.db2.gz SWGFPQORLQTJFZ-UHFFFAOYSA-N 0 2 311.301 1.187 20 30 DDEDLN C=CCCS(=O)(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000119506358 408083594 /nfs/dbraw/zinc/08/35/94/408083594.db2.gz FCDSLBORJMAJOP-UHFFFAOYSA-N 0 2 313.404 1.322 20 30 DDEDLN Cc1cc(C(=O)N[C@H](C#N)C(C)(C)C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000122087850 408249976 /nfs/dbraw/zinc/24/99/76/408249976.db2.gz RBMBURYEFYWVKV-SECBINFHSA-N 0 2 315.333 1.000 20 30 DDEDLN Cc1cc(O)c(C(=O)C=Cc2ccc3c(c2)CCN3C)c(=O)o1 ZINC000269676682 408387763 /nfs/dbraw/zinc/38/77/63/408387763.db2.gz DBRBNMVSFAHTIJ-UKINESCASA-N 0 2 311.337 1.907 20 30 DDEDLN C=CC[C@H]1N(C(=O)CSc2n[nH]c(=O)[nH]2)CCCC1(C)C ZINC000278109231 409067043 /nfs/dbraw/zinc/06/70/43/409067043.db2.gz KVMLNXCZHNMWMM-SNVBAGLBSA-N 0 2 310.423 1.783 20 30 DDEDLN Cc1nc2cc[nH]n2c(=O)c1CC(=O)NCCC1(O)CCC1 ZINC000329133826 410121388 /nfs/dbraw/zinc/12/13/88/410121388.db2.gz ZGJWVDPUIXGBRT-UHFFFAOYSA-N 0 2 304.350 1.135 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000359727067 410839259 /nfs/dbraw/zinc/83/92/59/410839259.db2.gz TYJAEWVRVLOTHN-UHFFFAOYSA-N 0 2 308.301 1.993 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](C(N)=O)C(C)(C)C)cc1C#N ZINC000427004420 419580040 /nfs/dbraw/zinc/58/00/40/419580040.db2.gz HOHDPVGUCWLRDP-SECBINFHSA-N 0 2 322.390 1.011 20 30 DDEDLN Cc1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1C(N)=O ZINC000435502881 229392295 /nfs/dbraw/zinc/39/22/95/229392295.db2.gz UBPRMWXMXTZWHZ-UHFFFAOYSA-N 0 2 321.383 1.828 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1csc(NC2CC2)n1 ZINC000572873127 421876782 /nfs/dbraw/zinc/87/67/82/421876782.db2.gz FOTZRAWTWYMGFJ-UHFFFAOYSA-N 0 2 314.374 1.286 20 30 DDEDLN COc1cc(S(=O)(=O)Nc2ncc(C#N)s2)ccc1F ZINC000615747656 422500609 /nfs/dbraw/zinc/50/06/09/422500609.db2.gz KYUXXYPNOJKFMK-UHFFFAOYSA-N 0 2 313.335 1.963 20 30 DDEDLN N#Cc1nc(NC(=O)[C@H]2COc3ccc(Cl)cc32)[nH]c1C#N ZINC000365174425 268324152 /nfs/dbraw/zinc/32/41/52/268324152.db2.gz CLLBKYSDCZBMLN-VIFPVBQESA-N 0 2 313.704 1.921 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2csc(C3CCCC3)n2)c1=O ZINC000563127754 303924057 /nfs/dbraw/zinc/92/40/57/303924057.db2.gz RTGRSTZELALYGZ-UHFFFAOYSA-N 0 2 302.359 1.571 20 30 DDEDLN C[C@@H](C#N)CN(C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C1CC1 ZINC000338378673 333485662 /nfs/dbraw/zinc/48/56/62/333485662.db2.gz PXZJHRSUSZBMJZ-QMMMGPOBSA-N 0 2 313.317 1.200 20 30 DDEDLN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000330051228 527639859 /nfs/dbraw/zinc/63/98/59/527639859.db2.gz NDTZXYNVLWNXEX-SECBINFHSA-N 0 2 309.370 1.394 20 30 DDEDLN C=C(C)CN(CC)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000736095407 599860525 /nfs/dbraw/zinc/86/05/25/599860525.db2.gz UXXZEYNWHHXSPW-INIZCTEOSA-N 0 2 320.389 1.835 20 30 DDEDLN Cc1oc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)cc1C(=O)[O-] ZINC000738978820 600318404 /nfs/dbraw/zinc/31/84/04/600318404.db2.gz KLYFDPXVJUZJAV-HNNXBMFYSA-N 0 2 305.378 1.952 20 30 DDEDLN CC(C)[N@H+](CC(=O)[O-])Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000820019791 600990795 /nfs/dbraw/zinc/99/07/95/600990795.db2.gz FTQPTTIMFOMKNV-UHFFFAOYSA-N 0 2 300.318 1.903 20 30 DDEDLN CC(C)[N@@H+](CC(=O)[O-])Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000820019791 600990796 /nfs/dbraw/zinc/99/07/96/600990796.db2.gz FTQPTTIMFOMKNV-UHFFFAOYSA-N 0 2 300.318 1.903 20 30 DDEDLN C=CCOC[C@@H](NC(=O)c1cccc(Cl)c1O)C(=O)OC ZINC000797762091 700023099 /nfs/dbraw/zinc/02/30/99/700023099.db2.gz MYYWSYVMVNMVBX-LLVKDONJSA-N 0 2 313.737 1.520 20 30 DDEDLN CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)C#N)cc2[nH]c1=S ZINC000171846853 697362721 /nfs/dbraw/zinc/36/27/21/697362721.db2.gz WGBAGGQQHCEXPT-VIFPVBQESA-N 0 2 316.386 1.595 20 30 DDEDLN CC(C)(C)/N=C1/NC(=O)[C@@H](CC(=O)NCC(F)(F)F)S1 ZINC000195215890 697734972 /nfs/dbraw/zinc/73/49/72/697734972.db2.gz MEIYXNXSXWWXLD-ZCFIWIBFSA-N 0 2 311.329 1.441 20 30 DDEDLN N#C[C@@H]1CN(C(=O)c2cccc(Cl)c2O)CCN1C1CC1 ZINC000775736545 698027664 /nfs/dbraw/zinc/02/76/64/698027664.db2.gz INPLWGGQWXHWMQ-LLVKDONJSA-N 0 2 305.765 1.858 20 30 DDEDLN COC(=O)N1CCC[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000726430180 699362981 /nfs/dbraw/zinc/36/29/81/699362981.db2.gz WSDRKLPUAYAEGQ-UXYFDLPDSA-N 0 2 307.306 1.950 20 30 DDEDLN N#Cc1cccc(-c2cc(C(=O)OCc3n[nH]c(=O)[nH]3)on2)c1 ZINC000789128366 699363392 /nfs/dbraw/zinc/36/33/92/699363392.db2.gz SRNFYUMQELNNMW-UHFFFAOYSA-N 0 2 311.257 1.394 20 30 DDEDLN C[C@@H](NC(=S)NN=Cc1ccc(O)c([N+](=O)[O-])c1)C1CC1 ZINC000751530060 700297316 /nfs/dbraw/zinc/29/73/16/700297316.db2.gz FMHTWGDFCCCHLY-MRVPVSSYSA-N 0 2 308.363 1.897 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2cccc3nonc32)s1 ZINC000753925118 700467446 /nfs/dbraw/zinc/46/74/46/700467446.db2.gz ZZCBBNTWGHFWGJ-UHFFFAOYSA-N 0 2 307.316 1.352 20 30 DDEDLN Cc1nn(C)c(C)c1OCC(=O)C(C#N)c1cc(C)nc(C)n1 ZINC000758508607 700709397 /nfs/dbraw/zinc/70/93/97/700709397.db2.gz OAVZOKWTXOQSOQ-ZDUSSCGKSA-N 0 2 313.361 1.699 20 30 DDEDLN O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000811224287 701938913 /nfs/dbraw/zinc/93/89/13/701938913.db2.gz FTKLHJSNXWCITI-WDSKDSINSA-N 0 2 324.196 1.414 20 30 DDEDLN O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000811224287 701938916 /nfs/dbraw/zinc/93/89/16/701938916.db2.gz FTKLHJSNXWCITI-WDSKDSINSA-N 0 2 324.196 1.414 20 30 DDEDLN C=C(C)CONC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000845606299 703181371 /nfs/dbraw/zinc/18/13/71/703181371.db2.gz VGATUXGFNOJZHL-UHFFFAOYSA-N 0 2 317.349 1.691 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@H]1Cc2ccccc2O1 ZINC000870242390 703970565 /nfs/dbraw/zinc/97/05/65/703970565.db2.gz BTLYCWUBWSQFLF-CHWSQXEVSA-N 0 2 309.325 1.705 20 30 DDEDLN CCOC1CC2(C[C@@H]2C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000870242620 703970705 /nfs/dbraw/zinc/97/07/05/703970705.db2.gz FZRFNCDQWBQLSV-LZUBYRBGSA-N 0 2 301.346 1.517 20 30 DDEDLN O=C(NC[C@@H](n1cncn1)C(F)(F)F)C(F)C(F)(F)F ZINC000870324937 703999311 /nfs/dbraw/zinc/99/93/11/703999311.db2.gz CDCVHGYHZYKONK-RFZPGFLSSA-N 0 2 308.157 1.398 20 30 DDEDLN O=C(NC[C@@H](n1cncn1)C(F)(F)F)[C@@H](F)C(F)(F)F ZINC000870324937 703999314 /nfs/dbraw/zinc/99/93/14/703999314.db2.gz CDCVHGYHZYKONK-RFZPGFLSSA-N 0 2 308.157 1.398 20 30 DDEDLN C=CCC[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(=O)[O-] ZINC000909716129 709594039 /nfs/dbraw/zinc/59/40/39/709594039.db2.gz PQZBPNQRPMULIM-ZWNOBZJWSA-N 0 2 306.366 1.326 20 30 DDEDLN C=CCC[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(=O)[O-] ZINC000909716129 709594041 /nfs/dbraw/zinc/59/40/41/709594041.db2.gz PQZBPNQRPMULIM-ZWNOBZJWSA-N 0 2 306.366 1.326 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1)C(=O)[O-] ZINC000909718495 709595339 /nfs/dbraw/zinc/59/53/39/709595339.db2.gz PCNPCNYCKOHSHM-GJZGRUSLSA-N 0 2 317.389 1.582 20 30 DDEDLN C=CCC[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1)C(=O)[O-] ZINC000909718495 709595344 /nfs/dbraw/zinc/59/53/44/709595344.db2.gz PCNPCNYCKOHSHM-GJZGRUSLSA-N 0 2 317.389 1.582 20 30 DDEDLN Cn1nccc1S(=O)(=O)Nc1ccc(C#N)cc1C1CC1 ZINC000901972997 710189806 /nfs/dbraw/zinc/18/98/06/710189806.db2.gz HYZHQVOAVHJPCS-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN NC(=O)c1ccc(C(=[NH2+])NC([O-])=Cc2ccc(S)cc2)cc1 ZINC001183189433 743792926 /nfs/dbraw/zinc/79/29/26/743792926.db2.gz IANWOKCUUGTYRD-UHFFFAOYSA-N 0 2 313.382 1.549 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2ccc3n[nH]cc3c2)cn1 ZINC001185954527 744312998 /nfs/dbraw/zinc/31/29/98/744312998.db2.gz HGUYFGPKQLZKDT-UHFFFAOYSA-N 0 2 300.303 1.025 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)[C@H]1C ZINC001088978665 744422468 /nfs/dbraw/zinc/42/24/68/744422468.db2.gz XHHCEJUKGPBGFD-WOPDTQHZSA-N 0 2 323.828 1.241 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3n[nH]nc3C2)[C@H]1C ZINC001088978665 744422471 /nfs/dbraw/zinc/42/24/71/744422471.db2.gz XHHCEJUKGPBGFD-WOPDTQHZSA-N 0 2 323.828 1.241 20 30 DDEDLN CCCCCCCCS(=O)(=O)N[C@H](C#N)C(=O)OCC ZINC001188028926 744652967 /nfs/dbraw/zinc/65/29/67/744652967.db2.gz JUZZWGUKKHRURB-GFCCVEGCSA-N 0 2 304.412 1.722 20 30 DDEDLN CCc1ccc(OC)c(S(=O)(=O)Nc2cn(C)nc2C#N)c1 ZINC001192774659 745887298 /nfs/dbraw/zinc/88/72/98/745887298.db2.gz COOJECCYIJESTB-UHFFFAOYSA-N 0 2 320.374 1.664 20 30 DDEDLN N#CCS(=O)(=O)Nc1nc(Cl)cnc1Br ZINC001192934767 745938756 /nfs/dbraw/zinc/93/87/56/745938756.db2.gz FJPQHXXIZSRGDA-UHFFFAOYSA-N 0 2 311.548 1.158 20 30 DDEDLN CCOC(=O)c1c[nH]c(NC(=O)c2ccc(C#N)cc2O)n1 ZINC001195733552 746679947 /nfs/dbraw/zinc/67/99/47/746679947.db2.gz QDQWJESMNWFDII-UHFFFAOYSA-N 0 2 300.274 1.416 20 30 DDEDLN C=CCCC(=O)N(CC)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001079472141 755367428 /nfs/dbraw/zinc/36/74/28/755367428.db2.gz IYSOIGAMZLPCEG-LLVKDONJSA-N 0 2 310.291 1.912 20 30 DDEDLN C=CCCC(=O)N(CC)C1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001079472141 755367433 /nfs/dbraw/zinc/36/74/33/755367433.db2.gz IYSOIGAMZLPCEG-LLVKDONJSA-N 0 2 310.291 1.912 20 30 DDEDLN C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C)c1[O-] ZINC001017479586 757964565 /nfs/dbraw/zinc/96/45/65/757964565.db2.gz ATKQEGJREZSETC-BETUJISGSA-N 0 2 304.394 1.679 20 30 DDEDLN C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1[nH]nc(C)c1[O-] ZINC001017479586 757964570 /nfs/dbraw/zinc/96/45/70/757964570.db2.gz ATKQEGJREZSETC-BETUJISGSA-N 0 2 304.394 1.679 20 30 DDEDLN C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001084975928 758114445 /nfs/dbraw/zinc/11/44/45/758114445.db2.gz ZFWUCEJPTQDQRZ-VYDXJSESSA-N 0 2 312.417 1.002 20 30 DDEDLN C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C2 ZINC001109307563 763559266 /nfs/dbraw/zinc/55/92/66/763559266.db2.gz QRDZBAFYUHTHKK-WCVJEAGWSA-N 0 2 314.433 1.751 20 30 DDEDLN C[C@H]1CC[C@H](NC(=O)C#CC(C)(C)C)CN1Cc1n[nH]c(=O)[nH]1 ZINC001132033132 768578039 /nfs/dbraw/zinc/57/80/39/768578039.db2.gz AVRCVFVNQZQCMW-RYUDHWBXSA-N 0 2 319.409 1.029 20 30 DDEDLN N#Cc1c(N)nn(C(=O)c2cccc(-c3ccccc3)c2O)c1N ZINC001148867357 773621509 /nfs/dbraw/zinc/62/15/09/773621509.db2.gz QRFUFOTYPRWDIG-UHFFFAOYSA-N 0 2 319.324 1.980 20 30 DDEDLN CN(CCNc1ncccc1C#N)C(=O)C(F)C(F)(F)F ZINC001102003393 777786965 /nfs/dbraw/zinc/78/69/65/777786965.db2.gz WCKCBOCPYMJUEC-VIFPVBQESA-N 0 2 304.247 1.724 20 30 DDEDLN CN(CCNc1ncccc1C#N)C(=O)[C@H](F)C(F)(F)F ZINC001102003393 777786969 /nfs/dbraw/zinc/78/69/69/777786969.db2.gz WCKCBOCPYMJUEC-VIFPVBQESA-N 0 2 304.247 1.724 20 30 DDEDLN C=CCC(CC=C)C(=O)N[C@@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001267613947 838468932 /nfs/dbraw/zinc/46/89/32/838468932.db2.gz YULGEAHQFYRABC-CYBMUJFWSA-N 0 2 319.409 1.359 20 30 DDEDLN C=CCN(CCOC)c1nnc(-c2n[nH]c(Cl)n2)n1CC=C ZINC001121716636 858580602 /nfs/dbraw/zinc/58/06/02/858580602.db2.gz OOIJVSDZKBALOO-UHFFFAOYSA-N 0 2 323.788 1.541 20 30 DDEDLN C=C[C@@H]1O[C@H](Oc2nc(Cl)cc(=O)[nH]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001225564068 881908709 /nfs/dbraw/zinc/90/87/09/881908709.db2.gz WTUAEDFORWYDQL-WBAWJMECSA-N 0 2 314.725 1.645 20 30 DDEDLN Cn1c(=O)[nH]c(NCCOC2CCCCCC2)c(C#N)c1=O ZINC001339588234 870568944 /nfs/dbraw/zinc/56/89/44/870568944.db2.gz HHQCJMIKONKMBG-UHFFFAOYSA-N 0 2 306.366 1.097 20 30 DDEDLN COc1ccccc1-c1nc(Cn2c(=O)[nH]cc(C#N)c2=O)co1 ZINC001307359541 871426033 /nfs/dbraw/zinc/42/60/33/871426033.db2.gz JAADGYPRTQDTIL-UHFFFAOYSA-N 0 2 324.296 1.120 20 30 DDEDLN C#CCN(CC)c1nnc(-c2c[nH]n(CC)c2=O)n1CC(C)C ZINC001342806426 872393432 /nfs/dbraw/zinc/39/34/32/872393432.db2.gz INOUCJTYNNKBSU-UHFFFAOYSA-N 0 2 316.409 1.983 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208388696 874097227 /nfs/dbraw/zinc/09/72/27/874097227.db2.gz OQPOXDMLTIAWAZ-QJPTWQEYSA-N 0 2 307.398 1.049 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001208388696 874097244 /nfs/dbraw/zinc/09/72/44/874097244.db2.gz OQPOXDMLTIAWAZ-QJPTWQEYSA-N 0 2 307.398 1.049 20 30 DDEDLN N#Cc1cccc(C(=O)NCc2n[nH]c(=O)[nH]2)c1Br ZINC001362062527 882943242 /nfs/dbraw/zinc/94/32/42/882943242.db2.gz JEDFFRAWPCBYTB-UHFFFAOYSA-N 0 2 322.122 1.074 20 30 DDEDLN COC(=O)c1cc(-c2nc(-c3cc(F)cc(C#N)c3)no2)[nH]n1 ZINC001213461008 875943929 /nfs/dbraw/zinc/94/39/29/875943929.db2.gz CEQZHJHTHJBAOD-UHFFFAOYSA-N 0 2 313.248 1.924 20 30 DDEDLN CC[C@]1(C)COCC[N@@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001413971569 879073088 /nfs/dbraw/zinc/07/30/88/879073088.db2.gz HMGUJCMCFOSUEG-OAHLLOKOSA-N 0 2 301.350 1.307 20 30 DDEDLN CC[C@]1(C)COCC[N@H+]1Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001413971569 879073098 /nfs/dbraw/zinc/07/30/98/879073098.db2.gz HMGUJCMCFOSUEG-OAHLLOKOSA-N 0 2 301.350 1.307 20 30 DDEDLN CCOC(=O)C1=C(O)CC[N@H+](Cc2ccc(C#N)cc2O)CC1 ZINC001233385687 886967936 /nfs/dbraw/zinc/96/79/36/886967936.db2.gz QGJBVCXRNKNTKQ-CQSZACIVSA-N 0 2 316.357 1.608 20 30 DDEDLN CCOC(=O)C1=C(O)CC[N@@H+](Cc2ccc(C#N)cc2O)CC1 ZINC001233385687 886967940 /nfs/dbraw/zinc/96/79/40/886967940.db2.gz QGJBVCXRNKNTKQ-CQSZACIVSA-N 0 2 316.357 1.608 20 30 DDEDLN COc1ccc(Cl)cc1CNc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001364147889 888025005 /nfs/dbraw/zinc/02/50/05/888025005.db2.gz NKYLIDDZNFRAMS-UHFFFAOYSA-N 0 2 320.736 1.219 20 30 DDEDLN CC[NH+]1CCC([N@H+](C)Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC1 ZINC001364343413 888423044 /nfs/dbraw/zinc/42/30/44/888423044.db2.gz ATJGEGXUFFTNAV-UHFFFAOYSA-N 0 2 314.393 1.223 20 30 DDEDLN CC[NH+]1CCC([N@@H+](C)Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC1 ZINC001364343413 888423052 /nfs/dbraw/zinc/42/30/52/888423052.db2.gz ATJGEGXUFFTNAV-UHFFFAOYSA-N 0 2 314.393 1.223 20 30 DDEDLN Cc1ccc2c(c1)[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)[C@H](C)C2 ZINC001364567133 888939954 /nfs/dbraw/zinc/93/99/54/888939954.db2.gz QPPXIBPBJOSZLL-YGRLFVJLSA-N 0 2 310.357 1.599 20 30 DDEDLN CC(C)n1nnc(NS(=O)(=O)c2ccc(C#N)cc2F)n1 ZINC001364961662 889766384 /nfs/dbraw/zinc/76/63/84/889766384.db2.gz BCYHXKFKZIAUHE-UHFFFAOYSA-N 0 2 310.314 1.066 20 30 DDEDLN CC(C)C#CC(=O)N[C@@]1(C)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001299534661 898321661 /nfs/dbraw/zinc/32/16/61/898321661.db2.gz YFSTWVBBDSZVTE-AAEUAGOBSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)N[C@@]1(C)CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001299534661 898321678 /nfs/dbraw/zinc/32/16/78/898321678.db2.gz YFSTWVBBDSZVTE-AAEUAGOBSA-N 0 2 322.302 1.653 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2F)CCC1=O ZINC001259066971 898445059 /nfs/dbraw/zinc/44/50/59/898445059.db2.gz HDWAHNJNDODZQA-MRVPVSSYSA-N 0 2 300.286 1.068 20 30 DDEDLN Cn1cnc(NS(=O)(=O)CCc2cccc(F)c2)c1C#N ZINC001259767980 898788600 /nfs/dbraw/zinc/78/86/00/898788600.db2.gz RYYZJIOIYNGMRN-UHFFFAOYSA-N 0 2 308.338 1.415 20 30 DDEDLN CC[N@H+](CCNC(=O)c1nc[nH]n1)Cc1ccc(C#N)c(F)c1 ZINC001377346584 921107474 /nfs/dbraw/zinc/10/74/74/921107474.db2.gz HKVWLWKRRKSPOZ-UHFFFAOYSA-N 0 2 316.340 1.067 20 30 DDEDLN O=C(NC1=NC(=O)CN1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000050223080 352565453 /nfs/dbraw/zinc/56/54/53/352565453.db2.gz LSQIEBBFZSCOSP-UHFFFAOYSA-N 0 2 322.324 1.729 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1 ZINC000589195607 354971401 /nfs/dbraw/zinc/97/14/01/354971401.db2.gz KUQWTZZJIZNUCL-UHFFFAOYSA-N 0 2 321.296 1.491 20 30 DDEDLN N#CCC1CCN(C(=O)c2cccc(-c3nc(=O)o[nH]3)c2)CC1 ZINC000597498361 357197088 /nfs/dbraw/zinc/19/70/88/357197088.db2.gz SLHVYIDHSCYEOD-UHFFFAOYSA-N 0 2 312.329 1.796 20 30 DDEDLN COC1(CS(=O)(=O)Nc2cc(C)n(CCC#N)n2)CCC1 ZINC000601977102 358762876 /nfs/dbraw/zinc/76/28/76/358762876.db2.gz LHBWUOJXZJMBNF-UHFFFAOYSA-N 0 2 312.395 1.416 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2cc(C)n[nH]2)cc1C#N ZINC000609599869 360332008 /nfs/dbraw/zinc/33/20/08/360332008.db2.gz NZGHPQUIWWDKDB-UHFFFAOYSA-N 0 2 303.347 1.342 20 30 DDEDLN CSc1ccncc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000610657335 360493696 /nfs/dbraw/zinc/49/36/96/360493696.db2.gz AZCKSPOXUNXXOO-UHFFFAOYSA-N 0 2 306.372 1.871 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCO[C@H]2C2CC2)cc1C#N ZINC000340785007 251210159 /nfs/dbraw/zinc/21/01/59/251210159.db2.gz ZTNRBUCBOFFCOM-NEPJUHHUSA-N 0 2 319.386 1.678 20 30 DDEDLN COc1cc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)ncn1 ZINC000120828618 195245326 /nfs/dbraw/zinc/24/53/26/195245326.db2.gz UCGCVKZPURIEPG-UHFFFAOYSA-N 0 2 324.749 1.811 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(Br)o2)[nH]c1C#N ZINC000026273469 406903759 /nfs/dbraw/zinc/90/37/59/406903759.db2.gz XQJPKFBTVLNAOO-UHFFFAOYSA-N 0 2 306.079 1.761 20 30 DDEDLN Cc1csc([C@@H](C#N)C(=O)c2sccc2-n2cnnn2)n1 ZINC000048789052 407107949 /nfs/dbraw/zinc/10/79/49/407107949.db2.gz PAEJPYYXDJYJAI-QMMMGPOBSA-N 0 2 316.371 1.979 20 30 DDEDLN Cc1csc(C(C#N)C(=O)c2sccc2-n2cnnn2)n1 ZINC000048789052 407107952 /nfs/dbraw/zinc/10/79/52/407107952.db2.gz PAEJPYYXDJYJAI-QMMMGPOBSA-N 0 2 316.371 1.979 20 30 DDEDLN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc2n[nH]nc2c1 ZINC000053524938 407170328 /nfs/dbraw/zinc/17/03/28/407170328.db2.gz GXKRSBRDPLCVGM-UHFFFAOYSA-N 0 2 306.289 1.774 20 30 DDEDLN CCCNc1ccc(C#N)cc1NS(=O)(=O)c1cnn(C)c1 ZINC000174256303 162401844 /nfs/dbraw/zinc/40/18/44/162401844.db2.gz LNUYHIZSUKUPHR-UHFFFAOYSA-N 0 2 319.390 1.914 20 30 DDEDLN C#CCONC(=O)[C@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000291170273 408861746 /nfs/dbraw/zinc/86/17/46/408861746.db2.gz DMBLLBNEIXLQBG-CQSZACIVSA-N 0 2 318.373 1.976 20 30 DDEDLN C=CCC(F)(F)C(=O)Nc1nnc(NS(C)(=O)=O)s1 ZINC000294462005 409291508 /nfs/dbraw/zinc/29/15/08/409291508.db2.gz GIKUDTFNKHRBQD-UHFFFAOYSA-N 0 2 312.323 1.060 20 30 DDEDLN C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000295023363 409308578 /nfs/dbraw/zinc/30/85/78/409308578.db2.gz NWYLZCUDNGSSHN-AWEZNQCLSA-N 0 2 308.447 1.696 20 30 DDEDLN CC(C)(C)n1cc(C#N)cc1NC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000357158517 409910828 /nfs/dbraw/zinc/91/08/28/409910828.db2.gz HLNXMMLYKYLWRW-UHFFFAOYSA-N 0 2 303.326 1.260 20 30 DDEDLN CN1CC[N@H+](C)[C@H](C/N=C(/[O-])Cc2cn3ccsc3n2)C1 ZINC000329437677 410296139 /nfs/dbraw/zinc/29/61/39/410296139.db2.gz KAOJEVRXNLCMGL-GFCCVEGCSA-N 0 2 307.423 1.141 20 30 DDEDLN CN1CC[N@@H+](C)[C@H](C/N=C(/[O-])Cc2cn3ccsc3n2)C1 ZINC000329437677 410296151 /nfs/dbraw/zinc/29/61/51/410296151.db2.gz KAOJEVRXNLCMGL-GFCCVEGCSA-N 0 2 307.423 1.141 20 30 DDEDLN C=CCN=c1[n-]nc(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000359816844 410896665 /nfs/dbraw/zinc/89/66/65/410896665.db2.gz GFIGELXIGVWBPY-PHIMTYICSA-N 0 2 312.464 2.091 20 30 DDEDLN C=CCN=c1[n-]nc(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)s1 ZINC000359816844 410896672 /nfs/dbraw/zinc/89/66/72/410896672.db2.gz GFIGELXIGVWBPY-PHIMTYICSA-N 0 2 312.464 2.091 20 30 DDEDLN CO[C@@](C)(CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)C1CC1 ZINC000360743085 418505251 /nfs/dbraw/zinc/50/52/51/418505251.db2.gz BNEUFVLAUIXVJR-HNNXBMFYSA-N 0 2 321.402 1.926 20 30 DDEDLN CCCCc1nnc(NS(=O)(=O)c2cncc(C#N)c2)o1 ZINC000290972992 222040181 /nfs/dbraw/zinc/04/01/81/222040181.db2.gz QFNHGLITFMBIEC-UHFFFAOYSA-N 0 2 307.335 1.480 20 30 DDEDLN CC[C@H](C)/N=C1/NC(=O)[C@@H](CC(=O)NCC(F)(F)F)S1 ZINC000195215708 222193705 /nfs/dbraw/zinc/19/37/05/222193705.db2.gz GTXNTJBOYGSCIC-NKWVEPMBSA-N 0 2 311.329 1.441 20 30 DDEDLN O=C([C@H](F)C(F)(F)F)N1CCCN(CC(F)(F)F)CC1 ZINC000377630226 418711981 /nfs/dbraw/zinc/71/19/81/418711981.db2.gz WERHHJAELPTFDY-ZETCQYMHSA-N 0 2 310.213 1.983 20 30 DDEDLN O=C(C(F)C(F)(F)F)N1CCCN(CC(F)(F)F)CC1 ZINC000377630226 418711985 /nfs/dbraw/zinc/71/19/85/418711985.db2.gz WERHHJAELPTFDY-ZETCQYMHSA-N 0 2 310.213 1.983 20 30 DDEDLN C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000365126640 418838551 /nfs/dbraw/zinc/83/85/51/418838551.db2.gz DQHOCRAYPARJRI-CHWSQXEVSA-N 0 2 310.313 1.787 20 30 DDEDLN C=CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)OCC ZINC000456627931 420519678 /nfs/dbraw/zinc/51/96/78/420519678.db2.gz NOQNWSXRCJJNQS-LLVKDONJSA-N 0 2 322.317 1.928 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H](CO)C2CC2)cc1C#N ZINC000359821076 269816682 /nfs/dbraw/zinc/81/66/82/269816682.db2.gz LEUAGIYXZDTAMB-SNVBAGLBSA-N 0 2 307.375 1.129 20 30 DDEDLN N#CCCC[C@@H](N)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000567660613 421613972 /nfs/dbraw/zinc/61/39/72/421613972.db2.gz IEJHXVYVGOKMSE-SECBINFHSA-N 0 2 307.404 1.648 20 30 DDEDLN Cc1cc(C(=O)N(CCC#N)C(C)C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000530817838 421617013 /nfs/dbraw/zinc/61/70/13/421617013.db2.gz JAGAFVDEZHWBGL-UHFFFAOYSA-N 0 2 315.333 1.509 20 30 DDEDLN Cn1cc(C#N)c(NS(=O)(=O)N2CCc3ccccc3C2)n1 ZINC000531527378 421635806 /nfs/dbraw/zinc/63/58/06/421635806.db2.gz QSUVSCXEGUNCBK-UHFFFAOYSA-N 0 2 317.374 1.007 20 30 DDEDLN Cc1onc(CC(=O)N=c2nc(C(C)(C)C)[nH]s2)c1C#N ZINC000354422609 267745738 /nfs/dbraw/zinc/74/57/38/267745738.db2.gz YXQPGTLZDNNYDA-UHFFFAOYSA-N 0 2 305.363 1.607 20 30 DDEDLN Cn1cc(N=C(O)c2scnc2C(C)(C)C)c(=O)n(C)c1=O ZINC000330902724 302915452 /nfs/dbraw/zinc/91/54/52/302915452.db2.gz XXMAHGHXLZPSOS-UHFFFAOYSA-N 0 2 322.390 1.474 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc3c(c2)OCCCO3)[nH]c1C#N ZINC000026271933 303217080 /nfs/dbraw/zinc/21/70/80/303217080.db2.gz GYPCBVSIXZYICB-UHFFFAOYSA-N 0 2 309.285 1.567 20 30 DDEDLN N#Cc1c(F)cccc1CN1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000568825452 308130919 /nfs/dbraw/zinc/13/09/19/308130919.db2.gz BRISIERHOYNOMN-NSHDSACASA-N 0 2 301.325 1.901 20 30 DDEDLN C=C[C@H](CO)NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000350503781 335758303 /nfs/dbraw/zinc/75/83/03/335758303.db2.gz ADVPQVUHBNNOTI-MRVPVSSYSA-N 0 2 324.793 1.949 20 30 DDEDLN N#Cc1c(F)cccc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000583324541 337316086 /nfs/dbraw/zinc/31/60/86/337316086.db2.gz ZJDYPOSBLNRXLL-SECBINFHSA-N 0 2 315.308 1.541 20 30 DDEDLN C[C@H](C#N)CN(C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1)C1CC1 ZINC000533150361 337831937 /nfs/dbraw/zinc/83/19/37/337831937.db2.gz BJLAPVRJMOIOHO-SNVBAGLBSA-N 0 2 312.329 1.794 20 30 DDEDLN CN(Cc1nc(=O)c2sccc2[nH]1)C[C@H](C#N)CCC#N ZINC000131548619 341095680 /nfs/dbraw/zinc/09/56/80/341095680.db2.gz AGCGNUTXHKNBAX-JTQLQIEISA-N 0 2 301.375 1.860 20 30 DDEDLN C#C[C@@H]1COCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000491672858 527308758 /nfs/dbraw/zinc/30/87/58/527308758.db2.gz YYYBXYRPXKPVDO-GFCCVEGCSA-N 0 2 315.304 1.191 20 30 DDEDLN CC(C)[C@H](O)CCNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000331245265 527721350 /nfs/dbraw/zinc/72/13/50/527721350.db2.gz RKBQNHYFYGPGGG-SECBINFHSA-N 0 2 300.428 1.990 20 30 DDEDLN CCN(C[C@@H](C)C#N)C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000346589980 528631470 /nfs/dbraw/zinc/63/14/70/528631470.db2.gz DALPEISUUUTNHU-JTQLQIEISA-N 0 2 300.318 1.652 20 30 DDEDLN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+](C)CC(=O)[O-])cc1 ZINC000821083382 598041529 /nfs/dbraw/zinc/04/15/29/598041529.db2.gz CXRUNCYXGNBGBY-CYBMUJFWSA-N 0 2 303.362 1.647 20 30 DDEDLN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+](C)CC(=O)[O-])cc1 ZINC000821083382 598041533 /nfs/dbraw/zinc/04/15/33/598041533.db2.gz CXRUNCYXGNBGBY-CYBMUJFWSA-N 0 2 303.362 1.647 20 30 DDEDLN C[C@](C#N)(CC(=O)[O-])C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000819848397 598223122 /nfs/dbraw/zinc/22/31/22/598223122.db2.gz SJCRFDYQBQRDCB-MRXNPFEDSA-N 0 2 316.361 1.303 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+](C)[C@@H](C)CC#N ZINC000831918486 602348334 /nfs/dbraw/zinc/34/83/34/602348334.db2.gz NHANNCWSBQCGLD-WCQYABFASA-N 0 2 322.361 1.367 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)[C@@H](C)CC#N ZINC000831918486 602348336 /nfs/dbraw/zinc/34/83/36/602348336.db2.gz NHANNCWSBQCGLD-WCQYABFASA-N 0 2 322.361 1.367 20 30 DDEDLN CN(C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C1)C(=O)[O-] ZINC000739660452 602533321 /nfs/dbraw/zinc/53/33/21/602533321.db2.gz IEGVIWYBRRYXSC-JTQLQIEISA-N 0 2 322.390 1.490 20 30 DDEDLN CN(C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C1)C(=O)[O-] ZINC000739660452 602533322 /nfs/dbraw/zinc/53/33/22/602533322.db2.gz IEGVIWYBRRYXSC-JTQLQIEISA-N 0 2 322.390 1.490 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000823450588 603947138 /nfs/dbraw/zinc/94/71/38/603947138.db2.gz DMXPXBMTOPDCLO-HNNXBMFYSA-N 0 2 313.357 1.763 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CCN2C(=O)[O-] ZINC000823450588 603947141 /nfs/dbraw/zinc/94/71/41/603947141.db2.gz DMXPXBMTOPDCLO-HNNXBMFYSA-N 0 2 313.357 1.763 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCCOc1cccnc1 ZINC000122910450 696726662 /nfs/dbraw/zinc/72/66/62/696726662.db2.gz VPSACNVUNNUPBI-CYBMUJFWSA-N 0 2 312.329 1.566 20 30 DDEDLN C[C@@H](Oc1ccccc1C#N)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000123211661 696729551 /nfs/dbraw/zinc/72/95/51/696729551.db2.gz KAONUEGOEIIIPD-DGCLKSJQSA-N 0 2 322.324 1.651 20 30 DDEDLN CCn1nc(C)c(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c1C ZINC000796980390 699989176 /nfs/dbraw/zinc/98/91/76/699989176.db2.gz GIBGUPRJNASUPM-ZDUSSCGKSA-N 0 2 313.361 1.388 20 30 DDEDLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(CC#N)c2)cc1 ZINC000747407203 700068511 /nfs/dbraw/zinc/06/85/11/700068511.db2.gz OPRCLOJTSRAKGR-UHFFFAOYSA-N 0 2 319.346 1.166 20 30 DDEDLN O=C(C[C@@H]1SC(=Nc2cccc(F)c2)NC1=O)NC1CC1 ZINC000748283468 700109029 /nfs/dbraw/zinc/10/90/29/700109029.db2.gz GMKDTGDHJLKCNX-NSHDSACASA-N 0 2 307.350 1.714 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc(F)nc2)c([N+](=O)[O-])c1 ZINC000152853032 696905914 /nfs/dbraw/zinc/90/59/14/696905914.db2.gz GXBYWWNNXYGGLS-UHFFFAOYSA-N 0 2 322.277 1.801 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2nc(C3=S=CC=C3)n[nH]2)s1 ZINC000749373951 700159057 /nfs/dbraw/zinc/15/90/57/700159057.db2.gz UJOZDEPMEUJCBQ-UHFFFAOYSA-N 0 2 301.356 1.616 20 30 DDEDLN C#CCOc1ccccc1NS(=O)(=O)c1c(C)cnn1C ZINC000795350341 699860604 /nfs/dbraw/zinc/86/06/04/699860604.db2.gz DDGDNARHYPRLTD-UHFFFAOYSA-N 0 2 305.359 1.541 20 30 DDEDLN Cc1cc(C)n(N=Cc2cc(O)ccc2[N+](=O)[O-])c(=O)c1C#N ZINC000751134202 700270367 /nfs/dbraw/zinc/27/03/67/700270367.db2.gz KICFOMXMEUJDFS-UHFFFAOYSA-N 0 2 312.285 1.833 20 30 DDEDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCCO[C@@H](C)C#N ZINC000801863329 700348137 /nfs/dbraw/zinc/34/81/37/700348137.db2.gz YVKCXUSGCJXWLU-IUCAKERBSA-N 0 2 310.272 1.161 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cccc3nonc32)cc1 ZINC000753017010 700402703 /nfs/dbraw/zinc/40/27/03/700402703.db2.gz OBASBCNVLIMTBJ-UHFFFAOYSA-N 0 2 300.299 1.895 20 30 DDEDLN N#Cc1ccc2c(c1)N(C(=O)CC1SC(=N)NC1=O)CC2 ZINC000757545844 700663840 /nfs/dbraw/zinc/66/38/40/700663840.db2.gz ZPIMCBJVVRXEIQ-NSHDSACASA-N 0 2 300.343 1.004 20 30 DDEDLN COC(=O)[C@H](CC(F)F)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000761179209 700848542 /nfs/dbraw/zinc/84/85/42/700848542.db2.gz BLJLDRWMIZKYNL-JBZZFUPASA-N 0 2 302.233 1.916 20 30 DDEDLN Cc1cc(=O)[nH]c(N=NC2CCC(CS(C)(=O)=O)CC2)n1 ZINC000814681549 701741131 /nfs/dbraw/zinc/74/11/31/701741131.db2.gz QWJSASWTBIDDJJ-UHFFFAOYSA-N 0 2 312.395 1.493 20 30 DDEDLN O=C(C(F)C(F)(F)F)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000811523083 701996598 /nfs/dbraw/zinc/99/65/98/701996598.db2.gz AMDVFOSCRCCWDU-ACZMJKKPSA-N 0 2 311.197 1.906 20 30 DDEDLN O=C([C@H](F)C(F)(F)F)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000811523083 701996603 /nfs/dbraw/zinc/99/66/03/701996603.db2.gz AMDVFOSCRCCWDU-ACZMJKKPSA-N 0 2 311.197 1.906 20 30 DDEDLN C#CCCC[C@@H](C)OC(=O)Cc1c(C)nc2cc[nH]n2c1=O ZINC000847862816 703478615 /nfs/dbraw/zinc/47/86/15/703478615.db2.gz TXBDLXFTESLDIV-LLVKDONJSA-N 0 2 301.346 1.609 20 30 DDEDLN C#C[C@@](C)(CC)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000861857493 705587539 /nfs/dbraw/zinc/58/75/39/705587539.db2.gz BZOYGRXXJULLGD-ZDUSSCGKSA-N 0 2 316.279 1.990 20 30 DDEDLN CC(=O)c1cc(C#N)ccc1NS(=O)(=O)CCOC(C)C ZINC000830177316 706470226 /nfs/dbraw/zinc/47/02/26/706470226.db2.gz WRUGTCCTSMODQO-UHFFFAOYSA-N 0 2 310.375 1.928 20 30 DDEDLN Cc1cc(C(C#N)C(=O)Cn2ncc3cccnc32)nc(C)n1 ZINC000873498234 707876031 /nfs/dbraw/zinc/87/60/31/707876031.db2.gz SRDYLPQGCOCHTB-CYBMUJFWSA-N 0 2 306.329 1.715 20 30 DDEDLN Cc1cc([C@@H](C#N)C(=O)Cn2ncc3cccnc32)nc(C)n1 ZINC000873498234 707876033 /nfs/dbraw/zinc/87/60/33/707876033.db2.gz SRDYLPQGCOCHTB-CYBMUJFWSA-N 0 2 306.329 1.715 20 30 DDEDLN O=C(CC1S/C(=N/CC(F)F)NC1=O)Nc1ccccc1 ZINC000887268617 709002700 /nfs/dbraw/zinc/00/27/00/709002700.db2.gz PZPLGDGFFRGMSP-VIFPVBQESA-N 0 2 313.329 1.868 20 30 DDEDLN C=CCCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)C(=O)[O-] ZINC000910917069 710118622 /nfs/dbraw/zinc/11/86/22/710118622.db2.gz LJYYUJYNOHGCIX-VXGBXAGGSA-N 0 2 300.424 1.349 20 30 DDEDLN COCCCNC(=O)C(C#N)=C([O-])c1cn2ccc(C)cc2[nH+]1 ZINC000916871275 713471316 /nfs/dbraw/zinc/47/13/16/713471316.db2.gz TXJFYKQNZJCHOU-GFCCVEGCSA-N 0 2 314.345 1.118 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2[nH]nnc2C)C1 ZINC001021648841 733400706 /nfs/dbraw/zinc/40/07/06/733400706.db2.gz NGCLFOCLGHGXNO-STQMWFEESA-N 0 2 323.828 1.792 20 30 DDEDLN CC#CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)Cc1c[nH]c[nH+]1 ZINC001087306833 736012043 /nfs/dbraw/zinc/01/20/43/736012043.db2.gz OYXGBRIMCHAADR-HYVNUMGLSA-N 0 2 314.433 1.581 20 30 DDEDLN CC#CC[NH+]1CC2(C1)CCN(C(=O)c1cccc3nn[nH]c31)CC2 ZINC001035713275 751798918 /nfs/dbraw/zinc/79/89/18/751798918.db2.gz ANVQZPCOYIBSMT-UHFFFAOYSA-N 0 2 323.400 1.519 20 30 DDEDLN COc1cccc(CS(=O)(=O)Nc2cnccc2C#N)c1 ZINC001197347294 747133883 /nfs/dbraw/zinc/13/38/83/747133883.db2.gz TUQSEVOTMCMGPK-UHFFFAOYSA-N 0 2 303.343 1.904 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)Cc2c(F)cccc2F)cn1 ZINC001197556419 747199143 /nfs/dbraw/zinc/19/91/43/747199143.db2.gz LMVSEVRAXFNICN-UHFFFAOYSA-N 0 2 310.285 1.568 20 30 DDEDLN CCN(CCNc1ccncc1C#N)C(=O)C(F)C(F)(F)F ZINC001106975934 748456266 /nfs/dbraw/zinc/45/62/66/748456266.db2.gz LCUUTHMRYVWFBM-LLVKDONJSA-N 0 2 318.274 1.536 20 30 DDEDLN CCN(CCNc1ccncc1C#N)C(=O)[C@@H](F)C(F)(F)F ZINC001106975934 748456271 /nfs/dbraw/zinc/45/62/71/748456271.db2.gz LCUUTHMRYVWFBM-LLVKDONJSA-N 0 2 318.274 1.536 20 30 DDEDLN COC(=O)c1nc2ccc(NC=CC(=O)C(F)(F)F)nc2[nH]1 ZINC001169480662 762442808 /nfs/dbraw/zinc/44/28/08/762442808.db2.gz QHALHDHRBNUWQB-SNAWJCMRSA-N 0 2 314.223 1.802 20 30 DDEDLN N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001097258724 757025618 /nfs/dbraw/zinc/02/56/18/757025618.db2.gz ZUYWMXLPXIJBCV-WCABBAIRSA-N 0 2 316.258 1.335 20 30 DDEDLN N#Cc1cnccc1N[C@H]1C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001097258724 757025623 /nfs/dbraw/zinc/02/56/23/757025623.db2.gz ZUYWMXLPXIJBCV-WCABBAIRSA-N 0 2 316.258 1.335 20 30 DDEDLN COC(=O)n1ncc(C#N)c1Nc1nnc(Cl)nc1Cl ZINC001169965523 762779511 /nfs/dbraw/zinc/77/95/11/762779511.db2.gz UPAFJOJSGDHRCH-UHFFFAOYSA-N 0 2 314.092 1.605 20 30 DDEDLN N#Cc1cncc(N[C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)n1 ZINC001097106586 771625657 /nfs/dbraw/zinc/62/56/57/771625657.db2.gz UBTDKVRRBMAMPK-BYULHYEWSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)n1 ZINC001097106586 771625661 /nfs/dbraw/zinc/62/56/61/771625661.db2.gz UBTDKVRRBMAMPK-BYULHYEWSA-N 0 2 317.246 1.308 20 30 DDEDLN C=CCCO[C@@H](C)C(=O)N(C)CCC1=NC(=O)C(C)C(=O)N1 ZINC001178885755 779211027 /nfs/dbraw/zinc/21/10/27/779211027.db2.gz SBLXDGNSMRPZMF-NSHDSACASA-N 0 2 309.366 1.178 20 30 DDEDLN C=CCOc1cccnc1C(=O)N[C@@H](C)c1nn(C)cc1O ZINC001179926735 779541547 /nfs/dbraw/zinc/54/15/47/779541547.db2.gz LCHWUCVHIXWRQY-JTQLQIEISA-N 0 2 302.334 1.577 20 30 DDEDLN C=CC(C)(C)C(=O)NCC1(NC(=O)C(F)C(F)(F)F)CC1 ZINC001299213100 845786192 /nfs/dbraw/zinc/78/61/92/845786192.db2.gz PVSPEYHSGFUFRB-QMMMGPOBSA-N 0 2 310.291 1.864 20 30 DDEDLN C=CC(C)(C)C(=O)NCC1(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001299213100 845786196 /nfs/dbraw/zinc/78/61/96/845786196.db2.gz PVSPEYHSGFUFRB-QMMMGPOBSA-N 0 2 310.291 1.864 20 30 DDEDLN Cc1ccc2ccc(C(=O)n3nc(N)c(C#N)c3N)c(O)c2n1 ZINC001155653429 862344667 /nfs/dbraw/zinc/34/46/67/862344667.db2.gz HAALHJHKEYLURH-UHFFFAOYSA-N 0 2 308.301 1.170 20 30 DDEDLN N#Cc1cc(Br)ccc1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC001412636864 854858806 /nfs/dbraw/zinc/85/88/06/854858806.db2.gz TYBJXBFYZKXTMR-UHFFFAOYSA-N 0 2 322.122 1.074 20 30 DDEDLN C[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC(C)(C)O1 ZINC001412942634 855803205 /nfs/dbraw/zinc/80/32/05/855803205.db2.gz PSKLSQSDEMTFBL-JTQLQIEISA-N 0 2 301.350 1.306 20 30 DDEDLN C[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC(C)(C)O1 ZINC001412942634 855803208 /nfs/dbraw/zinc/80/32/08/855803208.db2.gz PSKLSQSDEMTFBL-JTQLQIEISA-N 0 2 301.350 1.306 20 30 DDEDLN CC(C)n1nnc(NS(=O)(=O)c2cccc(F)c2C#N)n1 ZINC001413438683 856814654 /nfs/dbraw/zinc/81/46/54/856814654.db2.gz ROFSEFJAYZJLCF-UHFFFAOYSA-N 0 2 310.314 1.066 20 30 DDEDLN CCOc1cccc(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)n1 ZINC001122646227 858925369 /nfs/dbraw/zinc/92/53/69/858925369.db2.gz CLCPJWCQYNVQPA-GFCCVEGCSA-N 0 2 312.329 1.348 20 30 DDEDLN C=CCOCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001329476352 863689551 /nfs/dbraw/zinc/68/95/51/863689551.db2.gz ZHWURURYXGHZSS-LSDHHAIUSA-N 0 2 320.437 1.085 20 30 DDEDLN Cn1cc(N2CC[C@@H](/N=C\c3cc([N+](=O)[O-])ccc3O)C2)cn1 ZINC001322956225 866215296 /nfs/dbraw/zinc/21/52/96/866215296.db2.gz ZLENISFSHYOYDY-YNUIFBACSA-N 0 2 315.333 1.732 20 30 DDEDLN C=C[C@H](COC)NC(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC001324043166 867028007 /nfs/dbraw/zinc/02/80/07/867028007.db2.gz RWBDPIKXIGUXHT-GFCCVEGCSA-N 0 2 319.336 1.956 20 30 DDEDLN C=CCO[C@H]1CCN(c2nnc(-c3n[nH]c(Cl)n3)n2C)C1 ZINC001338059498 869773869 /nfs/dbraw/zinc/77/38/69/869773869.db2.gz MACMLPGSQVGVTM-QMMMGPOBSA-N 0 2 309.761 1.035 20 30 DDEDLN CCCCOc1cccc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)c1 ZINC001339544932 870548695 /nfs/dbraw/zinc/54/86/95/870548695.db2.gz PMCTWXLSKFBOSD-UHFFFAOYSA-N 0 2 314.345 1.868 20 30 DDEDLN O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)C(F)C(F)(F)F ZINC001299045518 870861681 /nfs/dbraw/zinc/86/16/81/870861681.db2.gz QYNNHYIVDOWCIC-MWLCHTKSSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(C#CC1CC1)N1CC[C@@H]1CNC(=O)[C@@H](F)C(F)(F)F ZINC001299045518 870861698 /nfs/dbraw/zinc/86/16/98/870861698.db2.gz QYNNHYIVDOWCIC-MWLCHTKSSA-N 0 2 306.259 1.017 20 30 DDEDLN C=CCC1(C(=O)NCC[N@H+](Cc2n[nH]c(=O)[n-]2)C2CC2)CCC1 ZINC001317556637 871067102 /nfs/dbraw/zinc/06/71/02/871067102.db2.gz LRJUKKXEYGVYIC-UHFFFAOYSA-N 0 2 319.409 1.337 20 30 DDEDLN C=CCC1(C(=O)NCC[N@@H+](Cc2n[nH]c(=O)[n-]2)C2CC2)CCC1 ZINC001317556637 871067121 /nfs/dbraw/zinc/06/71/21/871067121.db2.gz LRJUKKXEYGVYIC-UHFFFAOYSA-N 0 2 319.409 1.337 20 30 DDEDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1cc2cnccc2o1 ZINC001307194413 871406180 /nfs/dbraw/zinc/40/61/80/871406180.db2.gz OVWXFHKJSNOZDM-QMMMGPOBSA-N 0 2 311.301 1.260 20 30 DDEDLN N#CC(C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)c1ccncn1 ZINC001342582266 872274643 /nfs/dbraw/zinc/27/46/43/872274643.db2.gz WBQZRCDFJGELDT-WEDXCCLWSA-N 0 2 312.251 1.110 20 30 DDEDLN O=C(C#CC1CC1)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001352825895 876956911 /nfs/dbraw/zinc/95/69/11/876956911.db2.gz JRHWQIXEOIEPKD-ONGXEEELSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(C#CC1CC1)N[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001352825895 876956922 /nfs/dbraw/zinc/95/69/22/876956922.db2.gz JRHWQIXEOIEPKD-ONGXEEELSA-N 0 2 306.259 1.017 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001228801604 883678001 /nfs/dbraw/zinc/67/80/01/883678001.db2.gz UERVFRNJWRHISI-LLVKDONJSA-N 0 2 307.398 1.193 20 30 DDEDLN COCCn1ncc(C)c1NS(=O)(=O)c1cccc(C#N)c1 ZINC001259118670 898475881 /nfs/dbraw/zinc/47/58/81/898475881.db2.gz NOYILZVYZPXGRS-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN Cc1cnn2cc(NS(=O)(=O)c3cccc(C#N)c3)cnc12 ZINC001259118644 898476699 /nfs/dbraw/zinc/47/66/99/898476699.db2.gz UMQZOOJVCNOCAW-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C(F)C(F)(F)F ZINC001285004516 909925896 /nfs/dbraw/zinc/92/58/96/909925896.db2.gz VARAYPMTFYAYSK-NHCYSSNCSA-N 0 2 320.286 1.358 20 30 DDEDLN CC(C)C#CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)C(F)(F)F ZINC001285004516 909925910 /nfs/dbraw/zinc/92/59/10/909925910.db2.gz VARAYPMTFYAYSK-NHCYSSNCSA-N 0 2 320.286 1.358 20 30 DDEDLN C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC000163273318 539223928 /nfs/dbraw/zinc/22/39/28/539223928.db2.gz PEALXRKXVLRXPN-AWEZNQCLSA-N 0 2 316.449 1.980 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1ccc(C(=O)OC)c(OC)c1 ZINC000416958064 529588698 /nfs/dbraw/zinc/58/86/98/529588698.db2.gz LKWZHAXEPUNUML-SNVBAGLBSA-N 0 2 312.347 1.526 20 30 DDEDLN CC[C@H](C)C[C@@H](CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000592875308 355727242 /nfs/dbraw/zinc/72/72/42/355727242.db2.gz SRYJJFKILHQNFW-ONGXEEELSA-N 0 2 323.418 1.908 20 30 DDEDLN COCc1nnc(CNC(=O)[C@@H](C#N)CCc2ccccc2)[nH]1 ZINC000598049908 357443525 /nfs/dbraw/zinc/44/35/25/357443525.db2.gz JNFDHVJDMLJBLA-CYBMUJFWSA-N 0 2 313.361 1.340 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cnn(CCF)c2)cc1C#N ZINC000600658854 358275879 /nfs/dbraw/zinc/27/58/79/358275879.db2.gz AMGCPJCQWMKIIB-UHFFFAOYSA-N 0 2 309.326 1.229 20 30 DDEDLN Cc1cc(N2CCC(n3cc(C(=O)[O-])cn3)CC2)c(C#N)c[nH+]1 ZINC000600678431 358280380 /nfs/dbraw/zinc/28/03/80/358280380.db2.gz QWOVKTLBHUNKRM-UHFFFAOYSA-N 0 2 311.345 1.998 20 30 DDEDLN CC1=NN(c2nc3ccccc3c(=O)n2C)C(=O)[C@@H]1CCC#N ZINC000603923788 359704959 /nfs/dbraw/zinc/70/49/59/359704959.db2.gz PAZRXIDDNUKFEL-LLVKDONJSA-N 0 2 309.329 1.576 20 30 DDEDLN C[C@]1(C#N)CCCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000612397506 360996851 /nfs/dbraw/zinc/99/68/51/360996851.db2.gz YOGRZMSVRGEFCS-MRXNPFEDSA-N 0 2 312.329 1.796 20 30 DDEDLN N#CCCn1ccc(NS(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000619462966 364023916 /nfs/dbraw/zinc/02/39/16/364023916.db2.gz IQDNBHWFTZJDED-UHFFFAOYSA-N 0 2 315.358 1.664 20 30 DDEDLN CCC(=O)c1ccc(OCC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000026272910 248183605 /nfs/dbraw/zinc/18/36/05/248183605.db2.gz USRONJNPLNRICN-UHFFFAOYSA-N 0 2 323.312 1.763 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@@H]2CCOC2)cc1C#N ZINC000337100007 249347098 /nfs/dbraw/zinc/34/70/98/249347098.db2.gz DDIGLOGKQMCCJK-RKDXNWHRSA-N 0 2 307.375 1.536 20 30 DDEDLN C=CCOc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1OC ZINC000026269773 406903737 /nfs/dbraw/zinc/90/37/37/406903737.db2.gz KVWWQDUARQSEQP-UHFFFAOYSA-N 0 2 323.312 1.979 20 30 DDEDLN C=CCNC(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969116 407073561 /nfs/dbraw/zinc/07/35/61/407073561.db2.gz NGKKEUCSIDCFEH-UHFFFAOYSA-N 0 2 316.449 1.323 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCCS2)cc1C#N ZINC000155058327 408121959 /nfs/dbraw/zinc/12/19/59/408121959.db2.gz ILNREXRISLFLGZ-SECBINFHSA-N 0 2 309.416 1.594 20 30 DDEDLN CO[C@H](C)CS(=O)(=O)Nc1ncccc1OCCCC#N ZINC000283988503 409253022 /nfs/dbraw/zinc/25/30/22/409253022.db2.gz HVGKIJOPGMRZHY-LLVKDONJSA-N 0 2 313.379 1.541 20 30 DDEDLN C[C@@H]1CCCC[C@@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408504917 164354029 /nfs/dbraw/zinc/35/40/29/164354029.db2.gz ZRFLWSHYBHEDHP-MFKMUULPSA-N 0 2 307.375 1.584 20 30 DDEDLN CSc1cccc(NS(=O)(=O)c2cncc(C#N)c2)n1 ZINC000357394955 410010261 /nfs/dbraw/zinc/01/02/61/410010261.db2.gz WCKSCKYMAYEOOM-UHFFFAOYSA-N 0 2 306.372 1.871 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2cn(C)nc2C)cc1C#N ZINC000358079741 410350944 /nfs/dbraw/zinc/35/09/44/410350944.db2.gz ADKTXQKXCBJFBS-UHFFFAOYSA-N 0 2 317.374 1.353 20 30 DDEDLN C=CCN=c1[n-]nc(S(=O)(=O)Cc2ccc(C)[nH+]c2C)s1 ZINC000358745861 410530785 /nfs/dbraw/zinc/53/07/85/410530785.db2.gz YMVLLNDBDLVYQS-UHFFFAOYSA-N 0 2 324.431 2.122 20 30 DDEDLN CCc1ncc(NS(=O)(=O)c2ccccc2CC#N)cn1 ZINC000355829150 410691346 /nfs/dbraw/zinc/69/13/46/410691346.db2.gz GXPXAVCDFLHJNW-UHFFFAOYSA-N 0 2 302.359 1.906 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2cc(C)nn2C)cc1C#N ZINC000356029655 410784474 /nfs/dbraw/zinc/78/44/74/410784474.db2.gz RLNGAYFTSZBINY-UHFFFAOYSA-N 0 2 317.374 1.353 20 30 DDEDLN Cc1nc(=NC(=O)c2cc(-c3cccc(C#N)c3)no2)[nH]n1C ZINC000344524803 411109014 /nfs/dbraw/zinc/10/90/14/411109014.db2.gz ZWHPNQURYDDKHH-UHFFFAOYSA-N 0 2 308.301 1.903 20 30 DDEDLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(C#N)s2)o1 ZINC000610725127 416660799 /nfs/dbraw/zinc/66/07/99/416660799.db2.gz HBBZLIKNTZSNCN-UHFFFAOYSA-N 0 2 313.316 1.195 20 30 DDEDLN C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2n[nH]c(C)n2)CC1 ZINC000366010115 418415693 /nfs/dbraw/zinc/41/56/93/418415693.db2.gz XBAFHCHZMKOKQJ-UHFFFAOYSA-N 0 2 305.426 1.717 20 30 DDEDLN C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2nnc(C)[nH]2)CC1 ZINC000366010115 418415695 /nfs/dbraw/zinc/41/56/95/418415695.db2.gz XBAFHCHZMKOKQJ-UHFFFAOYSA-N 0 2 305.426 1.717 20 30 DDEDLN N#C[C@@H](C(=O)c1cn([C@H]2CCOC2)nn1)c1nc2ccccc2[nH]1 ZINC000361193278 418602483 /nfs/dbraw/zinc/60/24/83/418602483.db2.gz BSEKJORZBURKHL-QWRGUYRKSA-N 0 2 322.328 1.606 20 30 DDEDLN CC(=O)c1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c(C)nc1C ZINC000362838516 418760448 /nfs/dbraw/zinc/76/04/48/418760448.db2.gz FDQIMKVRTWTLFI-UHFFFAOYSA-N 0 2 308.301 1.620 20 30 DDEDLN C=C[C@H](CO)NC(=O)c1cc(F)cc(Br)c1O ZINC000436930421 420385302 /nfs/dbraw/zinc/38/53/02/420385302.db2.gz HRKSIHMSQASDQX-SSDOTTSWSA-N 0 2 304.115 1.571 20 30 DDEDLN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccc(C(N)=O)o1 ZINC000437561603 420410277 /nfs/dbraw/zinc/41/02/77/420410277.db2.gz WSHKJMUHWKHZMM-SECBINFHSA-N 0 2 308.297 1.755 20 30 DDEDLN COc1cc(C#N)ccc1NS(=O)(=O)c1cc(C)cnc1N ZINC000545293847 421251061 /nfs/dbraw/zinc/25/10/61/421251061.db2.gz JAIOXVXLQRBEJY-UHFFFAOYSA-N 0 2 318.358 1.653 20 30 DDEDLN C=CCCn1cc(CN2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)nn1 ZINC000653677407 423574833 /nfs/dbraw/zinc/57/48/33/423574833.db2.gz QZMQOJDKMHRPKE-NSHDSACASA-N 0 2 303.370 1.058 20 30 DDEDLN COC(=O)c1nscc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC000359477856 266672244 /nfs/dbraw/zinc/67/22/44/266672244.db2.gz FFOHFLWGUKVYMB-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC2(CO)CCC2)cc1C#N ZINC000345795008 272337005 /nfs/dbraw/zinc/33/70/05/272337005.db2.gz ZQIWMCVZFCCVBD-UHFFFAOYSA-N 0 2 307.375 1.273 20 30 DDEDLN N#C[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CCN1C1CC1 ZINC000375801284 303169271 /nfs/dbraw/zinc/16/92/71/303169271.db2.gz IRDIGEOOEBMRGS-NSHDSACASA-N 0 2 316.317 1.113 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N[C@@H](C#N)C(C)(C)C)c1 ZINC000424706617 533819997 /nfs/dbraw/zinc/81/99/97/533819997.db2.gz KOJZMMOXVGXOAG-YEJXKQKISA-N 0 2 308.403 1.857 20 30 DDEDLN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CSc1n[nH]c(=O)[nH]1 ZINC000425131543 534076818 /nfs/dbraw/zinc/07/68/18/534076818.db2.gz PVAQNCNUUSRIKT-VIFPVBQESA-N 0 2 317.374 1.694 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1nc2ccccn2n1 ZINC000163328888 526195464 /nfs/dbraw/zinc/19/54/64/526195464.db2.gz YZKICPKNZNHADM-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN C#CCNC(=O)c1cccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)c1 ZINC000491504768 527040470 /nfs/dbraw/zinc/04/04/70/527040470.db2.gz IYADCVUNMWCCFL-VXGBXAGGSA-N 0 2 312.285 1.232 20 30 DDEDLN N#Cc1cccc(CNC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000739133907 599782027 /nfs/dbraw/zinc/78/20/27/599782027.db2.gz RZJZAFRQKODIFL-QGZVFWFLSA-N 0 2 323.352 1.590 20 30 DDEDLN N#CCNC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000739085828 599928608 /nfs/dbraw/zinc/92/86/08/599928608.db2.gz LBFXVFFUKXUIMU-LLVKDONJSA-N 0 2 315.251 1.060 20 30 DDEDLN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825341980 604619507 /nfs/dbraw/zinc/61/95/07/604619507.db2.gz ADABIEOATLNLHN-YWPYICTPSA-N 0 2 303.362 1.976 20 30 DDEDLN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000825341980 604619508 /nfs/dbraw/zinc/61/95/08/604619508.db2.gz ADABIEOATLNLHN-YWPYICTPSA-N 0 2 303.362 1.976 20 30 DDEDLN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)CCN(C)C(=O)[O-] ZINC000833792070 605525885 /nfs/dbraw/zinc/52/58/85/605525885.db2.gz YUQKSQMPQJQPRD-LLVKDONJSA-N 0 2 304.350 1.427 20 30 DDEDLN C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CCN(C)C(=O)[O-] ZINC000833792070 605525886 /nfs/dbraw/zinc/52/58/86/605525886.db2.gz YUQKSQMPQJQPRD-LLVKDONJSA-N 0 2 304.350 1.427 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[nH]3)CC2(C)C)C1 ZINC000975023863 695779296 /nfs/dbraw/zinc/77/92/96/695779296.db2.gz DUUMITMSQPRJFY-NSHDSACASA-N 0 2 319.409 1.193 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(C=NNC(=S)NCC(F)(F)F)c1 ZINC000746495795 700027249 /nfs/dbraw/zinc/02/72/49/700027249.db2.gz TUBNENIVFSPBDH-UHFFFAOYSA-N 0 2 322.268 1.661 20 30 DDEDLN COC(=O)[C@H]1CC[C@H](C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CC1 ZINC000797954245 700034402 /nfs/dbraw/zinc/03/44/02/700034402.db2.gz MKLNBAPIZIAXBU-IJLUTSLNSA-N 0 2 317.345 1.291 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2CCCOC2)n1 ZINC000727958132 699433807 /nfs/dbraw/zinc/43/38/07/699433807.db2.gz YROIZHAEFCFENE-VHSXEESVSA-N 0 2 308.359 1.923 20 30 DDEDLN CC[C@H](C)/N=C1/NC(=O)C(CC(=O)Nc2cnccn2)S1 ZINC000730816412 699516485 /nfs/dbraw/zinc/51/64/85/699516485.db2.gz ULLOJTMONDNFBR-DTWKUNHWSA-N 0 2 307.379 1.191 20 30 DDEDLN N#CC1(C(=O)N2CCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)CCC1 ZINC000738422183 699759410 /nfs/dbraw/zinc/75/94/10/699759410.db2.gz IFXDDODMOILNBD-UHFFFAOYSA-N 0 2 314.345 1.122 20 30 DDEDLN COC(=O)c1c(C)[nH]nc1S(=O)(=O)Oc1cccc(C#N)c1 ZINC000750974023 700260766 /nfs/dbraw/zinc/26/07/66/700260766.db2.gz YCGLARPHMWAOLU-UHFFFAOYSA-N 0 2 321.314 1.144 20 30 DDEDLN N#CC(C(=O)Cn1cc(C(N)=O)c2ccccc21)c1ccncn1 ZINC000760359263 700804957 /nfs/dbraw/zinc/80/49/57/700804957.db2.gz SEGUVGNSQCGEMG-GFCCVEGCSA-N 0 2 319.324 1.407 20 30 DDEDLN CCn1nccc1S(=O)(=O)Nc1cccc(OCC#N)c1 ZINC000769865235 701259737 /nfs/dbraw/zinc/25/97/37/701259737.db2.gz HEGCEQILRFIHEL-UHFFFAOYSA-N 0 2 306.347 1.606 20 30 DDEDLN O=C(NCc1nccn1CC(F)(F)F)C(F)C(F)(F)F ZINC000810338947 701755861 /nfs/dbraw/zinc/75/58/61/701755861.db2.gz DRDPHXDXRIGNMZ-ZCFIWIBFSA-N 0 2 307.169 1.962 20 30 DDEDLN N#Cc1ccncc1N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000816994205 702255057 /nfs/dbraw/zinc/25/50/57/702255057.db2.gz JPAZFALLVFPIFX-NSHDSACASA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1ccncc1N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000816994205 702255059 /nfs/dbraw/zinc/25/50/59/702255059.db2.gz JPAZFALLVFPIFX-NSHDSACASA-N 0 2 316.258 1.502 20 30 DDEDLN CCc1ccc(C#CC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000843877874 702937084 /nfs/dbraw/zinc/93/70/84/702937084.db2.gz JGIJYTPMEYFSCY-OAHLLOKOSA-N 0 2 324.384 1.830 20 30 DDEDLN C[C@H](Oc1cccc(C=NNCCCn2cc[nH+]c2)c1)C(=O)[O-] ZINC000848418619 703548082 /nfs/dbraw/zinc/54/80/82/703548082.db2.gz QYUDHYQQVHJGJP-ZDUSSCGKSA-N 0 2 316.361 1.749 20 30 DDEDLN N#CC(C(=O)NC1CCCCC1)=C([O-])c1[nH+]cc2n1CCCC2 ZINC000870139839 703926258 /nfs/dbraw/zinc/92/62/58/703926258.db2.gz YDGLQFVVKQJFHW-AWEZNQCLSA-N 0 2 314.389 1.991 20 30 DDEDLN C=C(C)C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C(=O)[O-] ZINC000909041882 712924649 /nfs/dbraw/zinc/92/46/49/712924649.db2.gz VVFXZOGAHDPKFH-GFCCVEGCSA-N 0 2 302.334 1.553 20 30 DDEDLN C=CCC[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)C(=O)[O-] ZINC000909081502 712933296 /nfs/dbraw/zinc/93/32/96/712933296.db2.gz DZBZTHWOEMQCGM-QWHCGFSZSA-N 0 2 318.377 1.379 20 30 DDEDLN CCc1nn(C)cc1S(=O)(=O)Nc1ccc(CC#N)cc1 ZINC000882676431 707744595 /nfs/dbraw/zinc/74/45/95/707744595.db2.gz KSFBBUYBRJOPDQ-UHFFFAOYSA-N 0 2 304.375 1.849 20 30 DDEDLN C#CC1(O)CCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000899111559 708988082 /nfs/dbraw/zinc/98/80/82/708988082.db2.gz PDNXQOLXEQRAMR-UHFFFAOYSA-N 0 2 311.341 1.178 20 30 DDEDLN O=C(C[C@H]1S/C(=N/CC2CC2)NC1=O)NCC(F)(F)F ZINC000887268565 709002911 /nfs/dbraw/zinc/00/29/11/709002911.db2.gz OTRPAWQWYHUZQB-SSDOTTSWSA-N 0 2 309.313 1.053 20 30 DDEDLN C#CC1(O)CN(C(=O)c2cc(Br)cc(F)c2O)C1 ZINC000890527357 709903765 /nfs/dbraw/zinc/90/37/65/709903765.db2.gz DVDMOJWDQVGCFI-UHFFFAOYSA-N 0 2 314.110 1.114 20 30 DDEDLN C=C(C)CONC(=O)CSc1ccc(S(N)(=O)=O)cc1 ZINC000911902225 711060528 /nfs/dbraw/zinc/06/05/28/711060528.db2.gz VGAUHPRDIRXWDA-UHFFFAOYSA-N 0 2 316.404 1.050 20 30 DDEDLN N#CCN1C[C@@H]2CCN(C(=O)C(F)C(F)(F)F)CC[C@@H]2C1 ZINC000946597691 718847500 /nfs/dbraw/zinc/84/75/00/718847500.db2.gz GJTIWZCBAGWVBO-OUAUKWLOSA-N 0 2 307.291 1.581 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@H]2CN(Cc3n[nH]c(=O)[nH]3)CC[C@H]2C)C1 ZINC000968274400 719483002 /nfs/dbraw/zinc/48/30/02/719483002.db2.gz LJRFRKQNTYNQBK-NEPJUHHUSA-N 0 2 319.409 1.193 20 30 DDEDLN C#CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCc2cn[nH]c21 ZINC001027885256 738772778 /nfs/dbraw/zinc/77/27/78/738772778.db2.gz CDMJZWIXUMBJFH-HUUCEWRRSA-N 0 2 300.406 1.434 20 30 DDEDLN C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCc2cn[nH]c21 ZINC001027885207 738773110 /nfs/dbraw/zinc/77/31/10/738773110.db2.gz BJAOIOSZLAVOIV-GJZGRUSLSA-N 0 2 302.422 1.986 20 30 DDEDLN C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1[nH]cc[nH+]1 ZINC001025227857 736377906 /nfs/dbraw/zinc/37/79/06/736377906.db2.gz SWQYAPODEBYGBE-HZPDHXFCSA-N 0 2 314.433 1.821 20 30 DDEDLN Cc1nsc(N(C)CCNC(=O)C(F)C(F)(F)F)c1C#N ZINC001100367164 739153729 /nfs/dbraw/zinc/15/37/29/739153729.db2.gz UOOYUMYFHKRGPS-QMMMGPOBSA-N 0 2 324.303 1.776 20 30 DDEDLN Cc1nsc(N(C)CCNC(=O)[C@H](F)C(F)(F)F)c1C#N ZINC001100367164 739153732 /nfs/dbraw/zinc/15/37/32/739153732.db2.gz UOOYUMYFHKRGPS-QMMMGPOBSA-N 0 2 324.303 1.776 20 30 DDEDLN N#Cc1cccnc1N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001059097442 739932513 /nfs/dbraw/zinc/93/25/13/739932513.db2.gz BOGQIMHDYZAWNW-UWVGGRQHSA-N 0 2 316.258 1.866 20 30 DDEDLN N#Cc1cccnc1N[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001059097442 739932519 /nfs/dbraw/zinc/93/25/19/739932519.db2.gz BOGQIMHDYZAWNW-UWVGGRQHSA-N 0 2 316.258 1.866 20 30 DDEDLN N#Cc1nccnc1N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001059097428 739932634 /nfs/dbraw/zinc/93/26/34/739932634.db2.gz APAVFRHZKUTGAO-CBAPKCEASA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1nccnc1N[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001059097428 739932637 /nfs/dbraw/zinc/93/26/37/739932637.db2.gz APAVFRHZKUTGAO-CBAPKCEASA-N 0 2 317.246 1.261 20 30 DDEDLN CCc1ccc(-c2noc(Cn3c(=O)[nH]cc(C#N)c3=O)n2)cc1 ZINC001189575283 744926795 /nfs/dbraw/zinc/92/67/95/744926795.db2.gz XCTOFCJGEBLFNW-UHFFFAOYSA-N 0 2 323.312 1.069 20 30 DDEDLN C=CCC1(S(=O)(=O)Nc2ncc(Cl)nc2OC)CC1 ZINC001190773069 745325365 /nfs/dbraw/zinc/32/53/65/745325365.db2.gz QGNCXWWRLOLELN-UHFFFAOYSA-N 0 2 303.771 1.989 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2ccc3[nH]c(CO)nc3c2)c1O ZINC001193652421 746166505 /nfs/dbraw/zinc/16/65/05/746166505.db2.gz HRRBODFAMQMTPI-UHFFFAOYSA-N 0 2 308.297 1.885 20 30 DDEDLN C=CC/N=C1/NC(=O)C(CC(=O)Nc2ccccc2F)S1 ZINC000005631167 749113975 /nfs/dbraw/zinc/11/39/75/749113975.db2.gz OSTQDSLCAWLLJK-LLVKDONJSA-N 0 2 307.350 1.928 20 30 DDEDLN N#Cc1cccnc1N[C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001097106129 771625948 /nfs/dbraw/zinc/62/59/48/771625948.db2.gz ISAYSRZAFPKSNW-GUBZILKMSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1cccnc1N[C@H]1C[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001097106129 771625949 /nfs/dbraw/zinc/62/59/49/771625949.db2.gz ISAYSRZAFPKSNW-GUBZILKMSA-N 0 2 316.258 1.913 20 30 DDEDLN CNS(=O)(=O)c1cccc(NC2=C(C#N)C(=O)CS2)c1 ZINC001174724194 777566695 /nfs/dbraw/zinc/56/66/95/777566695.db2.gz LEIPGDKOXXONBW-UHFFFAOYSA-N 0 2 309.372 1.977 20 30 DDEDLN C=C[C@@H](COC)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC001118935125 781276651 /nfs/dbraw/zinc/27/66/51/781276651.db2.gz HAISUVILXAWJLX-QMMMGPOBSA-N 0 2 306.771 1.685 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC001412102596 854223140 /nfs/dbraw/zinc/22/31/40/854223140.db2.gz JMRDDNMQTMUOHU-UHFFFAOYSA-N 0 2 322.324 1.739 20 30 DDEDLN N#Cc1c[nH]c(=O)n(CCOc2ccc(F)cc2Cl)c1=O ZINC001412919478 855783749 /nfs/dbraw/zinc/78/37/49/855783749.db2.gz CLDOGGSROLSBKL-UHFFFAOYSA-N 0 2 309.684 1.280 20 30 DDEDLN N#CCc1cnc(NCCNC(=O)C(F)(F)F)c(Cl)c1 ZINC001156205846 862816324 /nfs/dbraw/zinc/81/63/24/862816324.db2.gz SXAKDNGHWRPCPD-UHFFFAOYSA-N 0 2 306.675 1.891 20 30 DDEDLN C#CCN(CC#CC)c1nnc(-c2c[nH]n(CC)c2=O)n1CC ZINC001121894539 858621450 /nfs/dbraw/zinc/62/14/50/858621450.db2.gz ZNSYHCRJWPTETN-UHFFFAOYSA-N 0 2 312.377 1.350 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2c(Cl)oc3ccccc32)c1=O ZINC001166385105 869976295 /nfs/dbraw/zinc/97/62/95/869976295.db2.gz XPAWHHWMADGYDA-UHFFFAOYSA-N 0 2 301.689 1.856 20 30 DDEDLN N#C[C@H](Oc1[nH]c(=O)nnc1Br)c1ccccc1 ZINC001227064350 882804538 /nfs/dbraw/zinc/80/45/38/882804538.db2.gz NTSBETITDWIZSN-QMMMGPOBSA-N 0 2 307.107 1.983 20 30 DDEDLN C=C[C@@H]1O[C@@H](Oc2nc(OC)cc(=O)[nH]2)[C@H]2OC(C)(C)O[C@@H]12 ZINC001228920240 883729429 /nfs/dbraw/zinc/72/94/29/883729429.db2.gz QPNBRHAGXJUSLW-BVALORAHSA-N 0 2 310.306 1.001 20 30 DDEDLN Cc1cc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)nn1CCC#N ZINC001362775802 884606826 /nfs/dbraw/zinc/60/68/26/884606826.db2.gz MSNOZLSOGKCCDD-UHFFFAOYSA-N 0 2 310.317 1.638 20 30 DDEDLN N#Cc1ccc(C[NH+]2CCN(Cc3ccccn3)CC2)c(O)c1 ZINC001233384102 886968944 /nfs/dbraw/zinc/96/89/44/886968944.db2.gz GYAJLGBZQBYHRA-UHFFFAOYSA-N 0 2 308.385 1.977 20 30 DDEDLN Cc1ccc([C@H]2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)C2)cc1 ZINC001363735135 887102512 /nfs/dbraw/zinc/10/25/12/887102512.db2.gz OMTHWMAGBWMFQG-ZDUSSCGKSA-N 0 2 310.357 1.248 20 30 DDEDLN Cc1cccc(S(=O)(=O)Nc2nnn(C(C)C)n2)c1C#N ZINC001364045212 887786712 /nfs/dbraw/zinc/78/67/12/887786712.db2.gz ICWJVLDKVXIAJA-UHFFFAOYSA-N 0 2 306.351 1.235 20 30 DDEDLN CC(C)n1nnc(NS(=O)(=O)c2ccccc2CC#N)n1 ZINC001364953755 889747297 /nfs/dbraw/zinc/74/72/97/889747297.db2.gz QCDYVCYKWSZOKY-UHFFFAOYSA-N 0 2 306.351 1.121 20 30 DDEDLN N#CCc1cccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)n1 ZINC001364957092 889755566 /nfs/dbraw/zinc/75/55/66/889755566.db2.gz PZCNCAVXXHCGHA-UHFFFAOYSA-N 0 2 316.342 1.047 20 30 DDEDLN COC(=O)c1onc(C)c1NS(=O)(=O)c1ccc(C#N)cc1 ZINC001258039074 898028685 /nfs/dbraw/zinc/02/86/85/898028685.db2.gz JGJDQOLHELMYRF-UHFFFAOYSA-N 0 2 321.314 1.442 20 30 DDEDLN CCOC(=O)C(C#N)NS(=O)(=O)c1cc(Cl)ccc1F ZINC001259461326 898679535 /nfs/dbraw/zinc/67/95/35/898679535.db2.gz OAKVPIORDOURLN-SECBINFHSA-N 0 2 320.729 1.213 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1cc(Cl)ccc1F ZINC001259461326 898679554 /nfs/dbraw/zinc/67/95/54/898679554.db2.gz OAKVPIORDOURLN-SECBINFHSA-N 0 2 320.729 1.213 20 30 DDEDLN Cn1cc(S(=O)(=O)Nc2cccc(C#CC(C)(C)O)c2)cn1 ZINC001259827238 898834993 /nfs/dbraw/zinc/83/49/93/898834993.db2.gz NGXBGBXWEKXFAF-UHFFFAOYSA-N 0 2 319.386 1.343 20 30 DDEDLN C#Cc1cnc(NS(=O)(=O)CCC(F)(F)F)c(C#C)n1 ZINC001259866675 898878489 /nfs/dbraw/zinc/87/84/89/898878489.db2.gz LFZFXNWSWQDJBC-UHFFFAOYSA-N 0 2 303.265 1.133 20 30 DDEDLN N#CC(C(=O)CCCNC(=O)C1CC1)c1ncc(F)cc1F ZINC001263664723 900666169 /nfs/dbraw/zinc/66/61/69/900666169.db2.gz JMNSLSZFDHCUGC-LLVKDONJSA-N 0 2 307.300 1.842 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC(NC(=O)C(F)C(F)(F)F)C2)C1 ZINC001284913827 909722352 /nfs/dbraw/zinc/72/23/52/909722352.db2.gz RHCKYROCBNAAOS-VIFPVBQESA-N 0 2 308.275 1.570 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC(NC(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001284913827 909722372 /nfs/dbraw/zinc/72/23/72/909722372.db2.gz RHCKYROCBNAAOS-VIFPVBQESA-N 0 2 308.275 1.570 20 30 DDEDLN O=C(C#CC1CC1)N[C@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001294903856 915451447 /nfs/dbraw/zinc/45/14/47/915451447.db2.gz QRKWNIUUSHPPGT-ZYHUDNBSSA-N 0 2 320.286 1.311 20 30 DDEDLN O=C(C#CC1CC1)N[C@H](CNC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001294903856 915451460 /nfs/dbraw/zinc/45/14/60/915451460.db2.gz QRKWNIUUSHPPGT-ZYHUDNBSSA-N 0 2 320.286 1.311 20 30 DDEDLN CC(C)(CN1N=C(c2cccc(C#N)c2)CC1=O)S(C)(=O)=O ZINC000601960008 358753745 /nfs/dbraw/zinc/75/37/45/358753745.db2.gz RHGRIIPLOOEOHN-UHFFFAOYSA-N 0 2 319.386 1.318 20 30 DDEDLN CC(C)(Cn1[nH]c(-c2cccc(C#N)c2)cc1=O)S(C)(=O)=O ZINC000601960008 358753747 /nfs/dbraw/zinc/75/37/47/358753747.db2.gz RHGRIIPLOOEOHN-UHFFFAOYSA-N 0 2 319.386 1.318 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1cnn2c1CCCC2 ZINC000601979083 358763637 /nfs/dbraw/zinc/76/36/37/358763637.db2.gz DFBWTOKKECENMB-UHFFFAOYSA-N 0 2 302.359 1.892 20 30 DDEDLN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000336859003 249267167 /nfs/dbraw/zinc/26/71/67/249267167.db2.gz DJNRZSVMRCLFPU-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN COC(=O)C1(C)CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000425156614 533181987 /nfs/dbraw/zinc/18/19/87/533181987.db2.gz YMAIFHNBLLREPO-UHFFFAOYSA-N 0 2 321.358 1.016 20 30 DDEDLN Cc1csc(C(C#N)C(=O)CSc2nnnn2C2CC2)n1 ZINC000016375672 406882909 /nfs/dbraw/zinc/88/29/09/406882909.db2.gz VGBDKTVKHWIRKL-SECBINFHSA-N 0 2 320.403 1.742 20 30 DDEDLN Cc1csc([C@H](C#N)C(=O)CSc2nnnn2C2CC2)n1 ZINC000016375672 406882912 /nfs/dbraw/zinc/88/29/12/406882912.db2.gz VGBDKTVKHWIRKL-SECBINFHSA-N 0 2 320.403 1.742 20 30 DDEDLN Cc1csc(C(C#N)C(=O)CSc2nnnn2C2CC2)n1 ZINC000016375670 406882928 /nfs/dbraw/zinc/88/29/28/406882928.db2.gz VGBDKTVKHWIRKL-VIFPVBQESA-N 0 2 320.403 1.742 20 30 DDEDLN Cc1csc([C@@H](C#N)C(=O)CSc2nnnn2C2CC2)n1 ZINC000016375670 406882929 /nfs/dbraw/zinc/88/29/29/406882929.db2.gz VGBDKTVKHWIRKL-VIFPVBQESA-N 0 2 320.403 1.742 20 30 DDEDLN CCS(=O)(=O)C[C@H](C)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000113006401 407458685 /nfs/dbraw/zinc/45/86/85/407458685.db2.gz FUXMPNCHFHYPLZ-PBJWJZLWSA-N 0 2 300.336 1.543 20 30 DDEDLN N#CCCn1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000117741016 407852685 /nfs/dbraw/zinc/85/26/85/407852685.db2.gz OOPQUWKNBPFRGO-UHFFFAOYSA-N 0 2 321.318 1.506 20 30 DDEDLN CCc1nc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)no1 ZINC000180299978 407875265 /nfs/dbraw/zinc/87/52/65/407875265.db2.gz HDBCPPSRYAYJPC-UHFFFAOYSA-N 0 2 312.738 1.958 20 30 DDEDLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2cccc(C#N)c2)n1 ZINC000187961349 407908720 /nfs/dbraw/zinc/90/87/20/407908720.db2.gz MRRCJGTXCHDQNG-LLVKDONJSA-N 0 2 320.374 1.763 20 30 DDEDLN COc1cc(C#N)ccc1OCC(=O)Nc1ccc2nn[nH]c2c1 ZINC000175833229 408217827 /nfs/dbraw/zinc/21/78/27/408217827.db2.gz ZZIRPLALLPRSCU-UHFFFAOYSA-N 0 2 323.312 1.856 20 30 DDEDLN Cn1nc2c(c1NS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000270449978 408538946 /nfs/dbraw/zinc/53/89/46/408538946.db2.gz DYPGAVUZDQOODR-UHFFFAOYSA-N 0 2 302.359 1.581 20 30 DDEDLN CCOC(=O)N1CC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000184534122 408637530 /nfs/dbraw/zinc/63/75/30/408637530.db2.gz MQXNJBXHIGWEQM-OXFWXOROSA-N 0 2 307.306 1.950 20 30 DDEDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccccc1CC#N ZINC000193354936 408712713 /nfs/dbraw/zinc/71/27/13/408712713.db2.gz QIWJPLPYUIWTFT-UHFFFAOYSA-N 0 2 304.375 1.904 20 30 DDEDLN CCOc1cccc(S(=O)(=O)Nc2ccn(CCC#N)n2)c1 ZINC000282275680 409024774 /nfs/dbraw/zinc/02/47/74/409024774.db2.gz VJUWFYVFVVLNPN-UHFFFAOYSA-N 0 2 320.374 1.996 20 30 DDEDLN Cn1c(CC#N)nnc1SCC(=O)NOCc1ccccc1 ZINC000279973045 409254318 /nfs/dbraw/zinc/25/43/18/409254318.db2.gz PBFXOKFPBDSSAI-UHFFFAOYSA-N 0 2 317.374 1.221 20 30 DDEDLN Cc1[nH]ncc1CCCNS(=O)(=O)c1ccc(F)cc1C#N ZINC000296001204 409396441 /nfs/dbraw/zinc/39/64/41/409396441.db2.gz MBIZYQFIAMKAQH-UHFFFAOYSA-N 0 2 322.365 1.640 20 30 DDEDLN CO[C@@H]1CCC[C@H]1CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000342560744 409722190 /nfs/dbraw/zinc/72/21/90/409722190.db2.gz GBUNXUYCMAZRCU-JOYOIKCWSA-N 0 2 321.402 1.926 20 30 DDEDLN CC(C)(C)c1ncc(NS(=O)(=O)c2cncc(C#N)c2)cn1 ZINC000357104571 409877694 /nfs/dbraw/zinc/87/76/94/409877694.db2.gz MAWNLLITWDZGIX-UHFFFAOYSA-N 0 2 317.374 1.842 20 30 DDEDLN Cc1nc([C@H]2CCCO2)sc1C(=O)N=c1[nH][nH]c(C)c1C#N ZINC000357245871 409952650 /nfs/dbraw/zinc/95/26/50/409952650.db2.gz RGOJTYMTVGYPJX-SNVBAGLBSA-N 0 2 317.374 2.459 20 30 DDEDLN Cn1nc([N+](=O)[O-])cc1C(=O)C(C#N)c1nc2ccccc2n1C ZINC000357781666 410244346 /nfs/dbraw/zinc/24/43/46/410244346.db2.gz SNWBJWTXWLFVDG-SECBINFHSA-N 0 2 324.300 1.705 20 30 DDEDLN CCc1noc2ncc(C(=O)N=c3[nH][nH]c(C4CC4)c3C#N)cc12 ZINC000359728623 410838186 /nfs/dbraw/zinc/83/81/86/410838186.db2.gz YQRZRYOBVZSYFJ-UHFFFAOYSA-N 0 2 322.328 2.510 20 30 DDEDLN N#C[C@@H](C(=O)c1cn([C@@H]2CCOC2)nn1)c1nc2ccccc2[nH]1 ZINC000361193277 418602580 /nfs/dbraw/zinc/60/25/80/418602580.db2.gz BSEKJORZBURKHL-MNOVXSKESA-N 0 2 322.328 1.606 20 30 DDEDLN Cc1cc(C)cc(N2CCC(=C([O-])[NH+]=C3C[C@H](C)ON3)C2=O)c1 ZINC000378313102 418721289 /nfs/dbraw/zinc/72/12/89/418721289.db2.gz YJGWQRKLDKNZNN-JSGCOSHPSA-N 0 2 315.373 1.895 20 30 DDEDLN Cc1cn2ccnc(C(=O)[C@@H](C#N)c3cc(C)nc(C)n3)c2n1 ZINC000433106965 229152730 /nfs/dbraw/zinc/15/27/30/229152730.db2.gz WZWOREHVDGLSFB-LBPRGKRZSA-N 0 2 306.329 1.935 20 30 DDEDLN Cc1cn2ccnc(C(=O)C(C#N)c3cc(C)nc(C)n3)c2n1 ZINC000433106965 229152731 /nfs/dbraw/zinc/15/27/31/229152731.db2.gz WZWOREHVDGLSFB-LBPRGKRZSA-N 0 2 306.329 1.935 20 30 DDEDLN Cc1cc(C(C#N)=C([O-])c2cc3c(c[nH+]2)OCCO3)nc(C)n1 ZINC000425278192 420337825 /nfs/dbraw/zinc/33/78/25/420337825.db2.gz YYLDOJORUAUGCI-NSHDSACASA-N 0 2 310.313 1.750 20 30 DDEDLN CO[C@@H]1C[C@@H](NC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1(C)C ZINC000440136376 420556555 /nfs/dbraw/zinc/55/65/55/420556555.db2.gz MVGPBRKAOCBBBO-GHMZBOCLSA-N 0 2 321.402 1.924 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)cc1O ZINC000442675639 420700204 /nfs/dbraw/zinc/70/02/04/420700204.db2.gz ZQHXFTMCFAQNHU-UHFFFAOYSA-N 0 2 321.296 1.491 20 30 DDEDLN N#Cc1ccc(C=CC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1 ZINC000493110995 420759553 /nfs/dbraw/zinc/75/95/53/420759553.db2.gz AXWYQDYURQPFMZ-WAYWQWQTSA-N 0 2 323.356 1.801 20 30 DDEDLN C[C@@H]1[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)[C@H]1C1CC1 ZINC000529021352 421525955 /nfs/dbraw/zinc/52/59/55/421525955.db2.gz NEEKHOFAOHIHQF-CKLFPEKLSA-N 0 2 305.359 1.050 20 30 DDEDLN COCc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1C#N ZINC000530145403 421582673 /nfs/dbraw/zinc/58/26/73/421582673.db2.gz SDQKCBYRJVZWEC-UHFFFAOYSA-N 0 2 320.374 1.547 20 30 DDEDLN CC(C)c1csc(C(C#N)C(=O)c2cn(C)c(=O)[nH]c2=O)n1 ZINC000530853727 421616974 /nfs/dbraw/zinc/61/69/74/421616974.db2.gz XMYHAHBYZOJVCQ-QMMMGPOBSA-N 0 2 318.358 1.556 20 30 DDEDLN CC(C)c1csc([C@@H](C#N)C(=O)c2cn(C)c(=O)[nH]c2=O)n1 ZINC000530853727 421616978 /nfs/dbraw/zinc/61/69/78/421616978.db2.gz XMYHAHBYZOJVCQ-QMMMGPOBSA-N 0 2 318.358 1.556 20 30 DDEDLN N#Cc1cccc(CC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000581668558 422023214 /nfs/dbraw/zinc/02/32/14/422023214.db2.gz LWNUCOGRSPAOGY-ZDUSSCGKSA-N 0 2 311.345 1.331 20 30 DDEDLN C=CC[N@H+](Cc1ccccc1F)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662201681 424464955 /nfs/dbraw/zinc/46/49/55/424464955.db2.gz KGVVBHFFMLYXPV-AWEZNQCLSA-N 0 2 306.337 1.499 20 30 DDEDLN C=CC[N@@H+](Cc1ccccc1F)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000662201681 424464959 /nfs/dbraw/zinc/46/49/59/424464959.db2.gz KGVVBHFFMLYXPV-AWEZNQCLSA-N 0 2 306.337 1.499 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)s1 ZINC000576229906 308299154 /nfs/dbraw/zinc/29/91/54/308299154.db2.gz HDDZECVOARZENW-MRVPVSSYSA-N 0 2 303.347 1.463 20 30 DDEDLN C=CCCO[C@@H](C)C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000170747516 332875011 /nfs/dbraw/zinc/87/50/11/332875011.db2.gz BXNIEPSAIVLXJL-JTQLQIEISA-N 0 2 303.318 1.950 20 30 DDEDLN C=C[C@@H](C)NS(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F ZINC000451304122 527415619 /nfs/dbraw/zinc/41/56/19/527415619.db2.gz HVUKNJPCNLCWOF-HTQZYQBOSA-N 0 2 303.302 1.364 20 30 DDEDLN CCN(C[C@H](C)C#N)C(=O)CN1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000331286951 528692069 /nfs/dbraw/zinc/69/20/69/528692069.db2.gz AFIMQZVNEWPYEO-VXGBXAGGSA-N 0 2 320.397 1.045 20 30 DDEDLN C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001120845932 782181459 /nfs/dbraw/zinc/18/14/59/782181459.db2.gz SYCBSPFARDAULP-OIBJUYFYSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001120845932 782181465 /nfs/dbraw/zinc/18/14/65/782181465.db2.gz SYCBSPFARDAULP-OIBJUYFYSA-N 0 2 319.262 1.507 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+](C)C[C@H](C)C#N ZINC000737863068 599754184 /nfs/dbraw/zinc/75/41/84/599754184.db2.gz BBFPWOLZJRMTDM-DGCLKSJQSA-N 0 2 322.361 1.225 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@@H+](C)C[C@H](C)C#N ZINC000737863068 599754185 /nfs/dbraw/zinc/75/41/85/599754185.db2.gz BBFPWOLZJRMTDM-DGCLKSJQSA-N 0 2 322.361 1.225 20 30 DDEDLN CCC[N@H+](CC(=O)[O-])Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000829475790 600819018 /nfs/dbraw/zinc/81/90/18/600819018.db2.gz CTTJMAVQGCJWMT-UHFFFAOYSA-N 0 2 300.318 1.905 20 30 DDEDLN CCC[N@@H+](CC(=O)[O-])Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000829475790 600819021 /nfs/dbraw/zinc/81/90/21/600819021.db2.gz CTTJMAVQGCJWMT-UHFFFAOYSA-N 0 2 300.318 1.905 20 30 DDEDLN N#Cc1ccsc1NC(=O)C[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000740322622 601962622 /nfs/dbraw/zinc/96/26/22/601962622.db2.gz WXVDVZFBOLUIFO-VIFPVBQESA-N 0 2 308.363 1.148 20 30 DDEDLN N#Cc1ccsc1NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000740322622 601962623 /nfs/dbraw/zinc/96/26/23/601962623.db2.gz WXVDVZFBOLUIFO-VIFPVBQESA-N 0 2 308.363 1.148 20 30 DDEDLN N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000831152313 603574814 /nfs/dbraw/zinc/57/48/14/603574814.db2.gz CLRGTLIOUBQXQR-CYBMUJFWSA-N 0 2 302.334 1.229 20 30 DDEDLN N#Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2CNC(=O)[O-])c1 ZINC000831152313 603574815 /nfs/dbraw/zinc/57/48/15/603574815.db2.gz CLRGTLIOUBQXQR-CYBMUJFWSA-N 0 2 302.334 1.229 20 30 DDEDLN CCS(=O)(=O)CC[N@H+](C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833665824 604785096 /nfs/dbraw/zinc/78/50/96/604785096.db2.gz NGCHKCMDQMUYJQ-CYBMUJFWSA-N 0 2 310.375 1.050 20 30 DDEDLN CCS(=O)(=O)CC[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000833665824 604785099 /nfs/dbraw/zinc/78/50/99/604785099.db2.gz NGCHKCMDQMUYJQ-CYBMUJFWSA-N 0 2 310.375 1.050 20 30 DDEDLN Cc1csc(C(C#N)C(=O)Cc2ccc(-n3cnnn3)cc2)n1 ZINC000041515811 696141217 /nfs/dbraw/zinc/14/12/17/696141217.db2.gz IVPAWNNRMPEHRF-CYBMUJFWSA-N 0 2 324.369 1.846 20 30 DDEDLN Cc1csc([C@H](C#N)C(=O)Cc2ccc(-n3cnnn3)cc2)n1 ZINC000041515811 696141221 /nfs/dbraw/zinc/14/12/21/696141221.db2.gz IVPAWNNRMPEHRF-CYBMUJFWSA-N 0 2 324.369 1.846 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N/Cc2nnc3n2CCCC3)c1 ZINC000044011820 696158085 /nfs/dbraw/zinc/15/80/85/696158085.db2.gz ULELYUUFHXFMIH-OVCLIPMQSA-N 0 2 301.306 1.847 20 30 DDEDLN O=[N+]([O-])c1cnn(CC/N=C/c2cc([N+](=O)[O-])ccc2O)c1 ZINC000127678621 696773335 /nfs/dbraw/zinc/77/33/35/696773335.db2.gz LZPRTCFEWYDOFM-AWNIVKPZSA-N 0 2 305.250 1.524 20 30 DDEDLN C[C@@H](OC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccc(C#N)cc1 ZINC000748677116 700131085 /nfs/dbraw/zinc/13/10/85/700131085.db2.gz JKHXTLRGDWEIJV-SNVBAGLBSA-N 0 2 323.312 1.247 20 30 DDEDLN CC(C)CC/N=C1/NC(=O)C(CC(=O)Nc2cnccn2)S1 ZINC000730816228 699516553 /nfs/dbraw/zinc/51/65/53/699516553.db2.gz POFZLLFXXQXMCC-SNVBAGLBSA-N 0 2 321.406 1.439 20 30 DDEDLN CC(C)N1CC[C@@H]([NH2+][C@H](C(=O)[O-])c2ccc(C#N)cc2)C1=O ZINC000736473410 699726327 /nfs/dbraw/zinc/72/63/27/699726327.db2.gz DXQOMTQLRJRLRF-KGLIPLIRSA-N 0 2 301.346 1.283 20 30 DDEDLN CN(C)c1ccc2c(c1)NC(=O)C2=NNc1ncncc1F ZINC000793214519 699741308 /nfs/dbraw/zinc/74/13/08/699741308.db2.gz NGFMJXGSGWBVRE-UHFFFAOYSA-N 0 2 300.297 1.450 20 30 DDEDLN Cc1cc(=O)nc(NN=C2CC[C@@H](C)C[C@@H]2n2cncn2)[nH]1 ZINC000794448661 699810336 /nfs/dbraw/zinc/81/03/36/699810336.db2.gz RFJMQCCORZSHOY-SKDRFNHKSA-N 0 2 301.354 1.911 20 30 DDEDLN Cc1cc(=O)[nH]c(N=NC2CC[C@@H](C)C[C@@H]2n2cncn2)n1 ZINC000794448661 699810338 /nfs/dbraw/zinc/81/03/38/699810338.db2.gz RFJMQCCORZSHOY-SKDRFNHKSA-N 0 2 301.354 1.911 20 30 DDEDLN C#C[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)c1ccc(F)cc1 ZINC000794897289 699834361 /nfs/dbraw/zinc/83/43/61/699834361.db2.gz WRPFOQPAYBOXRL-QWRGUYRKSA-N 0 2 305.334 1.173 20 30 DDEDLN N#CC(C(=O)Cn1cc(Cl)cn1)c1nnc2n1CCCCC2 ZINC000808978610 701633509 /nfs/dbraw/zinc/63/35/09/701633509.db2.gz MORYOOYQYHYXJS-LLVKDONJSA-N 0 2 318.768 1.731 20 30 DDEDLN N#C[C@H](C(=O)Cn1cc(Cl)cn1)c1nnc2n1CCCCC2 ZINC000808978610 701633511 /nfs/dbraw/zinc/63/35/11/701633511.db2.gz MORYOOYQYHYXJS-LLVKDONJSA-N 0 2 318.768 1.731 20 30 DDEDLN CC(N=Nc1ccc(C(N)=O)nn1)c1cc([N+](=O)[O-])ccc1O ZINC000758116499 700684498 /nfs/dbraw/zinc/68/44/98/700684498.db2.gz GLPMBIBIUXCZNN-UHFFFAOYSA-N 0 2 316.277 1.025 20 30 DDEDLN CC(C)(C)c1[nH]n(CC(=O)N2CCOCC2)c(=O)c1CCC#N ZINC000758423478 700704873 /nfs/dbraw/zinc/70/48/73/700704873.db2.gz KBMOZQNRFRJBQT-UHFFFAOYSA-N 0 2 320.393 1.201 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@H](C)CC(=O)OC)n1 ZINC000758514962 700709655 /nfs/dbraw/zinc/70/96/55/700709655.db2.gz DILHRUWDTLMWHQ-BDAKNGLRSA-N 0 2 324.358 1.695 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@H](C)CC(=O)OC)n1 ZINC000758514962 700709658 /nfs/dbraw/zinc/70/96/58/700709658.db2.gz DILHRUWDTLMWHQ-BDAKNGLRSA-N 0 2 324.358 1.695 20 30 DDEDLN COc1nccnc1NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21 ZINC000763427094 700937707 /nfs/dbraw/zinc/93/77/07/700937707.db2.gz WNQYMGPYHXVWRX-UHFFFAOYSA-N 0 2 314.261 1.162 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccnc(CO)c2)cc1C#N ZINC000765307997 701006724 /nfs/dbraw/zinc/00/67/24/701006724.db2.gz BRMYILROGUEABA-UHFFFAOYSA-N 0 2 316.342 1.520 20 30 DDEDLN C#Cc1cccc(NS(=O)(=O)c2c(C)nn(COC)c2C)c1 ZINC000765990179 701033948 /nfs/dbraw/zinc/03/39/48/701033948.db2.gz RJTKXQALQWWMLA-UHFFFAOYSA-N 0 2 319.386 1.886 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1N[NH+]=Cc1c(Cl)nc(N)n1C ZINC000814886732 701764749 /nfs/dbraw/zinc/76/47/49/701764749.db2.gz IGYHHSADVWMUCN-UHFFFAOYSA-N 0 2 323.740 1.809 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCc2ccccc2O1 ZINC000842322636 702703408 /nfs/dbraw/zinc/70/34/08/702703408.db2.gz BHZMVSNWMYAJAT-JSGCOSHPSA-N 0 2 309.325 1.705 20 30 DDEDLN C=C[C@@H](OC(=O)C(C)(C)NC(=O)C(F)(F)F)C(=O)OCC ZINC000842980607 702799482 /nfs/dbraw/zinc/79/94/82/702799482.db2.gz OBYCRUNVQRXVAF-SSDOTTSWSA-N 0 2 311.256 1.104 20 30 DDEDLN COCCN(C[C@@H](O)C(F)(F)F)C(=O)C(F)C(F)(F)F ZINC000848261632 703533288 /nfs/dbraw/zinc/53/32/88/703533288.db2.gz NPSRDCCSVKPHGO-PHDIDXHHSA-N 0 2 315.185 1.285 20 30 DDEDLN COCCN(C[C@@H](O)C(F)(F)F)C(=O)[C@@H](F)C(F)(F)F ZINC000848261632 703533289 /nfs/dbraw/zinc/53/32/89/703533289.db2.gz NPSRDCCSVKPHGO-PHDIDXHHSA-N 0 2 315.185 1.285 20 30 DDEDLN O=C([O-])COc1ccc(C=NNCCCn2cc[nH+]c2)cc1 ZINC000848418388 703548216 /nfs/dbraw/zinc/54/82/16/703548216.db2.gz JRPSWEJYGDDSLZ-UHFFFAOYSA-N 0 2 302.334 1.360 20 30 DDEDLN CS(=O)(=O)CCCC/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000818992728 704045899 /nfs/dbraw/zinc/04/58/99/704045899.db2.gz TUWSJBVTLSORJV-UKTHLTGXSA-N 0 2 300.336 1.544 20 30 DDEDLN C#CC[C@@H](COC)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000863801146 706016793 /nfs/dbraw/zinc/01/67/93/706016793.db2.gz VYMOSGFGDIQQRZ-LBPRGKRZSA-N 0 2 317.320 1.485 20 30 DDEDLN O=C1[C@H](/N=C/c2cc([N+](=O)[O-])ccc2O)CCN1C1CCC1 ZINC000864347621 706143729 /nfs/dbraw/zinc/14/37/29/706143729.db2.gz UZBLSGFRIWTXFD-BPKVKKHESA-N 0 2 303.318 1.873 20 30 DDEDLN COC(=O)CCS(=O)(=O)Nc1ccc(C#N)cc1C(C)=O ZINC000830177433 706470340 /nfs/dbraw/zinc/47/03/40/706470340.db2.gz YDQXKQWHZWNFPJ-UHFFFAOYSA-N 0 2 310.331 1.066 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@H]1CCC2(CCC2)O1 ZINC000892862802 710514928 /nfs/dbraw/zinc/51/49/28/710514928.db2.gz DTRIBSHEBVOSFR-VXGBXAGGSA-N 0 2 301.346 1.803 20 30 DDEDLN C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001024395619 735801965 /nfs/dbraw/zinc/80/19/65/735801965.db2.gz CMXXWMRGBCNOMF-NSHDSACASA-N 0 2 312.801 1.761 20 30 DDEDLN C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)c1[nH]nc(C)c1[O-] ZINC001024395619 735801970 /nfs/dbraw/zinc/80/19/70/735801970.db2.gz CMXXWMRGBCNOMF-NSHDSACASA-N 0 2 312.801 1.761 20 30 DDEDLN C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001038718634 738194841 /nfs/dbraw/zinc/19/48/41/738194841.db2.gz YNEIWGALFYLKEL-RBSFLKMASA-N 0 2 302.422 1.680 20 30 DDEDLN N#Cc1cccnc1N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001059097443 739932717 /nfs/dbraw/zinc/93/27/17/739932717.db2.gz BOGQIMHDYZAWNW-VHSXEESVSA-N 0 2 316.258 1.866 20 30 DDEDLN N#Cc1cccnc1N[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001059097443 739932719 /nfs/dbraw/zinc/93/27/19/739932719.db2.gz BOGQIMHDYZAWNW-VHSXEESVSA-N 0 2 316.258 1.866 20 30 DDEDLN C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001076242540 742622019 /nfs/dbraw/zinc/62/20/19/742622019.db2.gz IWCDBWJIZMJEMG-VHDGCEQUSA-N 0 2 311.857 1.613 20 30 DDEDLN NC(=O)c1ccc(C(N)=NC(=O)c2ccc(O)c(F)c2)cc1 ZINC001186234597 744361461 /nfs/dbraw/zinc/36/14/61/744361461.db2.gz VKESEFSZFPLWPA-UHFFFAOYSA-N 0 2 301.277 1.176 20 30 DDEDLN CCOCCS(=O)(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC001187246842 744525764 /nfs/dbraw/zinc/52/57/64/744525764.db2.gz XGHOCADHJDTCMC-UHFFFAOYSA-N 0 2 320.374 1.522 20 30 DDEDLN C=CCn1cnc2c1ncnc2NS(=O)(=O)CC1CCCC1 ZINC001191488576 745520223 /nfs/dbraw/zinc/52/02/23/745520223.db2.gz JUAFNKASOXSDIC-UHFFFAOYSA-N 0 2 321.406 1.944 20 30 DDEDLN C=C[C@H]1C[C@]1(NC(=O)c1cc(F)c(O)cc1F)C(=O)OCC ZINC001192877131 745910927 /nfs/dbraw/zinc/91/09/27/745910927.db2.gz QBFFODFMGGUIJS-VXJOIVPMSA-N 0 2 311.284 1.908 20 30 DDEDLN N#Cc1cnn(-c2ccccn2)c1NS(=O)(=O)CC1CCC1 ZINC001193471396 746113483 /nfs/dbraw/zinc/11/34/83/746113483.db2.gz PHNJUTQMFHSKSQ-UHFFFAOYSA-N 0 2 317.374 1.681 20 30 DDEDLN Cn1c(NC(=O)c2cccc(C#N)c2O)nnc1C(F)(F)F ZINC001193635450 746156553 /nfs/dbraw/zinc/15/65/53/746156553.db2.gz UYSSUINBRDLOCN-UHFFFAOYSA-N 0 2 311.223 1.663 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2ccc(C(C)(C)C#N)nc2)n1C ZINC001198355943 747475238 /nfs/dbraw/zinc/47/52/38/747475238.db2.gz JZRWNAIWOLVVDZ-UHFFFAOYSA-N 0 2 319.390 1.726 20 30 DDEDLN C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1 ZINC001110989765 750284876 /nfs/dbraw/zinc/28/48/76/750284876.db2.gz VLZRZZGZEYAUHO-YMEQNVIZSA-N 0 2 319.409 1.334 20 30 DDEDLN C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001000865444 762280210 /nfs/dbraw/zinc/28/02/10/762280210.db2.gz BLSCNMYPGRVWCX-HNNXBMFYSA-N 0 2 312.417 1.205 20 30 DDEDLN C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)CC1 ZINC001000865444 762280216 /nfs/dbraw/zinc/28/02/16/762280216.db2.gz BLSCNMYPGRVWCX-HNNXBMFYSA-N 0 2 312.417 1.205 20 30 DDEDLN N#Cc1ccc(N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cn1 ZINC001056804071 761443974 /nfs/dbraw/zinc/44/39/74/761443974.db2.gz NEWPTMGIBWUERW-GHMZBOCLSA-N 0 2 316.258 1.866 20 30 DDEDLN N#Cc1ccc(N[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)cn1 ZINC001056804071 761443978 /nfs/dbraw/zinc/44/39/78/761443978.db2.gz NEWPTMGIBWUERW-GHMZBOCLSA-N 0 2 316.258 1.866 20 30 DDEDLN C[C@@H](CN(C)c1nccnc1C#N)NC(=O)C(F)C(F)(F)F ZINC001109275650 763536851 /nfs/dbraw/zinc/53/68/51/763536851.db2.gz SWZXMURXVNIEMO-CBAPKCEASA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CN(C)c1nccnc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001109275650 763536857 /nfs/dbraw/zinc/53/68/57/763536857.db2.gz SWZXMURXVNIEMO-CBAPKCEASA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)C(F)C(F)(F)F ZINC001109275249 763537015 /nfs/dbraw/zinc/53/70/15/763537015.db2.gz OHVFKTQMJDNURG-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H](F)C(F)(F)F ZINC001109275249 763537019 /nfs/dbraw/zinc/53/70/19/763537019.db2.gz OHVFKTQMJDNURG-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN N#Cc1cccnc1N1CC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001096490358 770458015 /nfs/dbraw/zinc/45/80/15/770458015.db2.gz APVWFKADKOOMCB-ZJUUUORDSA-N 0 2 316.258 1.549 20 30 DDEDLN N#Cc1cccnc1N1CC[C@@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001096490358 770458017 /nfs/dbraw/zinc/45/80/17/770458017.db2.gz APVWFKADKOOMCB-ZJUUUORDSA-N 0 2 316.258 1.549 20 30 DDEDLN C=CCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)CO2 ZINC001327403246 862144502 /nfs/dbraw/zinc/14/45/02/862144502.db2.gz BRPUOSPTPKXAOJ-HOTGVXAUSA-N 0 2 321.465 1.396 20 30 DDEDLN N#Cc1cccc(OCCCNS(=O)(=O)CC(F)(F)F)c1 ZINC001253235490 851741178 /nfs/dbraw/zinc/74/11/78/851741178.db2.gz SDRNFPLOJBQWDV-UHFFFAOYSA-N 0 2 322.308 1.809 20 30 DDEDLN C=CCCCC(=O)N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001352934575 877022308 /nfs/dbraw/zinc/02/23/08/877022308.db2.gz OTZZARNXUBIQKE-KOLCDFICSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCCC(=O)N[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001352934575 877022343 /nfs/dbraw/zinc/02/23/43/877022343.db2.gz OTZZARNXUBIQKE-KOLCDFICSA-N 0 2 310.291 1.960 20 30 DDEDLN C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001073079796 858074957 /nfs/dbraw/zinc/07/49/57/858074957.db2.gz RZVNMKCOMNUYPX-BDAKNGLRSA-N 0 2 323.290 1.544 20 30 DDEDLN C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001073079796 858074961 /nfs/dbraw/zinc/07/49/61/858074961.db2.gz RZVNMKCOMNUYPX-BDAKNGLRSA-N 0 2 323.290 1.544 20 30 DDEDLN CCn1c(C(O)=C(C#N)C(=O)NCCOC)cc2ccccc21 ZINC001122706391 858943681 /nfs/dbraw/zinc/94/36/81/858943681.db2.gz IPEIQPWFMMRRIQ-CYBMUJFWSA-N 0 2 313.357 1.746 20 30 DDEDLN C#CCCCC(=O)NC[C@H](C)N(C)C(=O)C(F)C(F)(F)F ZINC001334239956 867415403 /nfs/dbraw/zinc/41/54/03/867415403.db2.gz XWNZMBQVJUOYFE-GXSJLCMTSA-N 0 2 310.291 1.653 20 30 DDEDLN C#CCCCC(=O)NC[C@H](C)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001334239956 867415412 /nfs/dbraw/zinc/41/54/12/867415412.db2.gz XWNZMBQVJUOYFE-GXSJLCMTSA-N 0 2 310.291 1.653 20 30 DDEDLN N#C[C@H](NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)C1CC1 ZINC001334976567 867964289 /nfs/dbraw/zinc/96/42/89/867964289.db2.gz WUMYXFWJQMQQIM-VIFPVBQESA-N 0 2 315.251 1.490 20 30 DDEDLN CCOC(=O)[C@@H]1CC[C@@H](Oc2[nH]c(=O)cc(C)c2C#N)CO1 ZINC001226222046 882288997 /nfs/dbraw/zinc/28/89/97/882288997.db2.gz TYUSOQMDWBIKJY-PWSUYJOCSA-N 0 2 306.318 1.457 20 30 DDEDLN Cc1cc(=O)[nH]c(OCCOCCOCCOC(C)C)c1C#N ZINC001226224050 882292328 /nfs/dbraw/zinc/29/23/28/882292328.db2.gz ZFZXUOCMBJDLRI-UHFFFAOYSA-N 0 2 324.377 1.804 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001339209509 870403560 /nfs/dbraw/zinc/40/35/60/870403560.db2.gz AXOARKAIAJGGLJ-DTORHVGOSA-N 0 2 307.789 1.995 20 30 DDEDLN N#CCn1cc(NC(=O)c2ncc(Br)cc2O)cn1 ZINC001361973972 882740632 /nfs/dbraw/zinc/74/06/32/882740632.db2.gz JZARKFYNDWTGBW-UHFFFAOYSA-N 0 2 322.122 1.522 20 30 DDEDLN C=C1O[C@H](CC)C(=O)C1Oc1[nH]c(=O)ncc1Br ZINC001227138683 882867779 /nfs/dbraw/zinc/86/77/79/882867779.db2.gz SYIOQKJHHOWCDR-SSDOTTSWSA-N 0 2 315.123 1.933 20 30 DDEDLN C=CC[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C(=O)[O-] ZINC001350760306 875874657 /nfs/dbraw/zinc/87/46/57/875874657.db2.gz XBNCRWOFGKGKSV-LBPRGKRZSA-N 0 2 306.366 1.090 20 30 DDEDLN N#C[C@@H](C(=O)Cn1ncc2ccccc2c1=O)c1cccc(F)n1 ZINC001357580630 880066534 /nfs/dbraw/zinc/06/65/34/880066534.db2.gz QPXKPCBAKORRFN-CYBMUJFWSA-N 0 2 322.299 1.807 20 30 DDEDLN C=C[C@@H](Oc1ccc(C[C@H]2SC(=O)NC2=O)cc1)C(=O)OC ZINC001229623936 884081828 /nfs/dbraw/zinc/08/18/28/884081828.db2.gz LULONKDURIJTCK-VXGBXAGGSA-N 0 2 321.354 1.687 20 30 DDEDLN N#CCc1ccccc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC001363050678 885332298 /nfs/dbraw/zinc/33/22/98/885332298.db2.gz CEUQBOPPSQQVNL-LBPRGKRZSA-N 0 2 311.345 1.596 20 30 DDEDLN Cn1c(=O)[nH]c(N[C@H](c2ccccn2)C2CCC2)c(C#N)c1=O ZINC001363153225 885593259 /nfs/dbraw/zinc/59/32/59/885593259.db2.gz JQHNPPBORQXQJD-ZDUSSCGKSA-N 0 2 311.345 1.294 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccccc1Cl ZINC001363156389 885600789 /nfs/dbraw/zinc/60/07/89/885600789.db2.gz LVISTCUBQZSNGY-MRVPVSSYSA-N 0 2 304.737 1.772 20 30 DDEDLN N#C[C@@H](CCc1ccccc1)C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001363156065 885600810 /nfs/dbraw/zinc/60/08/10/885600810.db2.gz ZYYXKZZTVRTSRC-GFCCVEGCSA-N 0 2 312.329 1.277 20 30 DDEDLN COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(C#N)ccc1[O-] ZINC001232676755 886529850 /nfs/dbraw/zinc/52/98/50/886529850.db2.gz RGZOHIYSRYNSBK-UHFFFAOYSA-N 0 2 319.405 1.581 20 30 DDEDLN COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(C#N)ccc1[O-] ZINC001232676755 886529860 /nfs/dbraw/zinc/52/98/60/886529860.db2.gz RGZOHIYSRYNSBK-UHFFFAOYSA-N 0 2 319.405 1.581 20 30 DDEDLN C=CCC(CC=C)C(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[nH]1 ZINC001234516550 888043484 /nfs/dbraw/zinc/04/34/84/888043484.db2.gz FNHHNWQVBCQTLK-CYBMUJFWSA-N 0 2 319.409 1.311 20 30 DDEDLN Cn1c(=O)[nH]c(NCc2ccc(F)c(Cl)c2)c(C#N)c1=O ZINC001364539818 888884953 /nfs/dbraw/zinc/88/49/53/888884953.db2.gz ZMQJQCPEVRZABT-UHFFFAOYSA-N 0 2 308.700 1.350 20 30 DDEDLN C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC001278509948 893752990 /nfs/dbraw/zinc/75/29/90/893752990.db2.gz HQJJXNBLAYBQJO-NWDGAFQWSA-N 0 2 307.398 1.336 20 30 DDEDLN C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2n[nH]c(=O)[n-]2)[C@H]1C ZINC001278509948 893753000 /nfs/dbraw/zinc/75/30/00/893753000.db2.gz HQJJXNBLAYBQJO-NWDGAFQWSA-N 0 2 307.398 1.336 20 30 DDEDLN CCn1cc(S(=O)(=O)Nc2cc(F)c(C#N)c(F)c2)cn1 ZINC001259839778 898855253 /nfs/dbraw/zinc/85/52/53/898855253.db2.gz PZRDOSMSAUXGMW-UHFFFAOYSA-N 0 2 312.301 1.854 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cnc(C#N)nc2)cc1Cl ZINC001260968228 899309298 /nfs/dbraw/zinc/30/92/98/899309298.db2.gz TXXGHPHSOCDSSI-UHFFFAOYSA-N 0 2 324.749 1.811 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CCC1=O ZINC001260981124 899312002 /nfs/dbraw/zinc/31/20/02/899312002.db2.gz KADMHGVUFQHJTM-CQSZACIVSA-N 0 2 318.398 1.669 20 30 DDEDLN Cc1ccc2c(n1)[nH]cc(C(=O)NC[C@@H]1COCCO1)c2=O ZINC000328906498 539299677 /nfs/dbraw/zinc/29/96/77/539299677.db2.gz KUFDHGYDKJEEJQ-SNVBAGLBSA-N 0 2 303.318 1.364 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2)n(CCC#N)n1 ZINC000066247974 352986211 /nfs/dbraw/zinc/98/62/11/352986211.db2.gz SHIIOLBYDMPZEW-UHFFFAOYSA-N 0 2 315.358 1.778 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)NCc2n[nH]c([C@@H]3CCCO3)n2)c1 ZINC000594387901 356192838 /nfs/dbraw/zinc/19/28/38/356192838.db2.gz ZEUPSCYCKXKTFN-LBPRGKRZSA-N 0 2 313.317 1.163 20 30 DDEDLN CCn1ncc(C)c1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000594730520 356299985 /nfs/dbraw/zinc/29/99/85/356299985.db2.gz LZCDZZAFEVHOGF-UHFFFAOYSA-N 0 2 305.363 1.587 20 30 DDEDLN N#CC1(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)CCOCC1 ZINC000597440722 357177190 /nfs/dbraw/zinc/17/71/90/357177190.db2.gz COKVAXSRAGJLJX-UHFFFAOYSA-N 0 2 305.290 1.949 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](CO)C2CCC2)cc1C#N ZINC000597923644 357383260 /nfs/dbraw/zinc/38/32/60/357383260.db2.gz VZNWLQSOBNJIOU-LLVKDONJSA-N 0 2 307.375 1.272 20 30 DDEDLN Cc1cc(C(=O)N2CC[C@](C)(C#N)C2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000598408553 357569260 /nfs/dbraw/zinc/56/92/60/357569260.db2.gz LIZJARQNQWZBMV-OAHLLOKOSA-N 0 2 313.317 1.120 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2OC)nc1 ZINC000613343958 361386873 /nfs/dbraw/zinc/38/68/73/361386873.db2.gz DEUZSTVWJKMWPV-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN CCc1cnc(NS(=O)(=O)c2ccc(C#N)cc2OC)o1 ZINC000613344473 361387050 /nfs/dbraw/zinc/38/70/50/361387050.db2.gz ZIDJUVPNPHGYFA-UHFFFAOYSA-N 0 2 307.331 1.918 20 30 DDEDLN CC(C)Oc1ccc(C#N)cc1NS(=O)(=O)c1cnn(C)c1 ZINC000057122584 184027291 /nfs/dbraw/zinc/02/72/91/184027291.db2.gz WWXVXKLWKQMVGB-UHFFFAOYSA-N 0 2 320.374 1.880 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCC[C@H]2O)cc1C#N ZINC000330719564 533078092 /nfs/dbraw/zinc/07/80/92/533078092.db2.gz DWWNJZMQNRGSNC-GZMMTYOYSA-N 0 2 307.375 1.272 20 30 DDEDLN O=C(CC1S/C(=N\C2CC2)NC1=O)Nc1ccccc1F ZINC000007126330 406749732 /nfs/dbraw/zinc/74/97/32/406749732.db2.gz MTXDPADCPQUSSL-NSHDSACASA-N 0 2 307.350 1.904 20 30 DDEDLN O=C(C[C@@H]1S/C(=N\C2CC2)NC1=O)Nc1ccccc1F ZINC000007126330 406749741 /nfs/dbraw/zinc/74/97/41/406749741.db2.gz MTXDPADCPQUSSL-NSHDSACASA-N 0 2 307.350 1.904 20 30 DDEDLN Cc1[nH]nc2ncc(NS(=O)(=O)c3ccc(C#N)nc3)cc12 ZINC000089267841 407128364 /nfs/dbraw/zinc/12/83/64/407128364.db2.gz MLWXMUQGKGBITG-UHFFFAOYSA-N 0 2 314.330 1.334 20 30 DDEDLN CC(=O)c1cccc(S(=O)(=O)Nc2ccc(C#N)cn2)c1 ZINC000051953593 407144837 /nfs/dbraw/zinc/14/48/37/407144837.db2.gz MXGDGMWOXKFKSI-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN C=CCN(CC=C)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000151613451 407464114 /nfs/dbraw/zinc/46/41/14/407464114.db2.gz GBBSJLHCMMSOQA-UHFFFAOYSA-N 0 2 300.318 1.146 20 30 DDEDLN CC[C@@H](C#N)NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000181003643 407943231 /nfs/dbraw/zinc/94/32/31/407943231.db2.gz QLUWEDOSRSJVMW-JTQLQIEISA-N 0 2 300.318 1.618 20 30 DDEDLN N#Cc1nc(NC(=O)c2cnc(-c3ccncc3)s2)[nH]c1C#N ZINC000175294656 408099368 /nfs/dbraw/zinc/09/93/68/408099368.db2.gz CBHIOMGVPWHSDB-UHFFFAOYSA-N 0 2 321.325 1.924 20 30 DDEDLN C[C@@]1(C(=O)NS(=O)(=O)c2cncc(C#N)c2)CC=CCC1 ZINC000408490326 164347699 /nfs/dbraw/zinc/34/76/99/164347699.db2.gz AFOXCFUDONPOCT-CQSZACIVSA-N 0 2 305.359 1.505 20 30 DDEDLN C=C[C@H](CO)NC(=O)C1=NN(c2ccccc2CC)CC1=O ZINC000356877320 409681722 /nfs/dbraw/zinc/68/17/22/409681722.db2.gz URYVIRWWNDXKLL-GFCCVEGCSA-N 0 2 301.346 1.417 20 30 DDEDLN COC1(CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)CCC1 ZINC000356955750 409746674 /nfs/dbraw/zinc/74/66/74/409746674.db2.gz HAJHXFMIRWATHX-UHFFFAOYSA-N 0 2 307.375 1.680 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cnn(CCC(C)C)c2C)c1C#N ZINC000357151511 409906506 /nfs/dbraw/zinc/90/65/06/409906506.db2.gz CVTMXVVKFUUUHQ-UHFFFAOYSA-N 0 2 300.366 2.393 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cnn(-c3ccccc3)c2C)c1C#N ZINC000357247490 409953283 /nfs/dbraw/zinc/95/32/83/409953283.db2.gz BGZGAJXGIBODIK-UHFFFAOYSA-N 0 2 306.329 2.336 20 30 DDEDLN COCCOc1ccc(C#N)cc1NS(=O)(=O)c1ccoc1 ZINC000350871402 410006582 /nfs/dbraw/zinc/00/65/82/410006582.db2.gz QRGKCPVSRLOLLM-UHFFFAOYSA-N 0 2 322.342 1.977 20 30 DDEDLN Cn1nc([N+](=O)[O-])cc1C(=O)C(C#N)c1nc2ccccc2[nH]1 ZINC000357777929 410244389 /nfs/dbraw/zinc/24/43/89/410244389.db2.gz GNDSADDWOACXCR-QMMMGPOBSA-N 0 2 310.273 1.695 20 30 DDEDLN Cn1nc([N+](=O)[O-])cc1C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000357777929 410244395 /nfs/dbraw/zinc/24/43/95/410244395.db2.gz GNDSADDWOACXCR-QMMMGPOBSA-N 0 2 310.273 1.695 20 30 DDEDLN Cn1c[nH+]cc1CNC(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000329545533 410355100 /nfs/dbraw/zinc/35/51/00/410355100.db2.gz GRTCMERGKAULFS-GFCCVEGCSA-N 0 2 324.450 1.869 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CCSC2)cc1C#N ZINC000339735551 410426929 /nfs/dbraw/zinc/42/69/29/410426929.db2.gz GYLMRRPKFXRXHQ-VIFPVBQESA-N 0 2 309.416 1.958 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)[C@H](CO)CC(C)C)cc1C#N ZINC000358785773 410532616 /nfs/dbraw/zinc/53/26/16/410532616.db2.gz NKVODTJMZQUCIV-NSHDSACASA-N 0 2 323.418 1.860 20 30 DDEDLN Cc1cc(C(=O)N=c2cccn[nH]2)nn1-c1cccc(C#N)c1 ZINC000355501784 410550390 /nfs/dbraw/zinc/55/03/90/410550390.db2.gz BCSOAQCDTQQRMZ-UHFFFAOYSA-N 0 2 304.313 2.095 20 30 DDEDLN CCOC(=O)C[C@H](C)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000352568904 410665063 /nfs/dbraw/zinc/66/50/63/410665063.db2.gz HRQAPNQCMPIHPL-QMMMGPOBSA-N 0 2 323.374 1.452 20 30 DDEDLN COC(=O)c1cccc(S(=O)(=O)Nc2cc(C#N)ccn2)c1 ZINC000352857895 410680423 /nfs/dbraw/zinc/68/04/23/410680423.db2.gz LJEZFIXMGPHINK-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN CC(C)(C(=O)N=c1[nH][nH]c(C2CC2)c1C#N)C1CCOCC1 ZINC000359719597 410836645 /nfs/dbraw/zinc/83/66/45/410836645.db2.gz SQNXFTMRAJCRPK-UHFFFAOYSA-N 0 2 302.378 2.550 20 30 DDEDLN CC(C)c1ccc(NC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)cc1 ZINC000580326146 422919276 /nfs/dbraw/zinc/91/92/76/422919276.db2.gz JWCDNJOJSAFMHN-UHFFFAOYSA-N 0 2 312.329 1.170 20 30 DDEDLN C=CCN(CCOC)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000191969447 222113862 /nfs/dbraw/zinc/11/38/62/222113862.db2.gz RCOLGKXRMDEHKB-UHFFFAOYSA-N 0 2 319.336 1.992 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cc1 ZINC000375646307 418668205 /nfs/dbraw/zinc/66/82/05/418668205.db2.gz CPBUORWBXDDKDF-UHFFFAOYSA-N 0 2 302.359 1.892 20 30 DDEDLN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1ccn(CCC#N)n1 ZINC000421162678 419510813 /nfs/dbraw/zinc/51/08/13/419510813.db2.gz ZSVAKXCPUVDPFK-LBPRGKRZSA-N 0 2 314.411 1.600 20 30 DDEDLN CCOc1ncccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427105312 419596829 /nfs/dbraw/zinc/59/68/29/419596829.db2.gz XKOIKCFGTLPBFJ-UHFFFAOYSA-N 0 2 318.358 1.856 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2nnc(C3CC3)o2)cc1C#N ZINC000427781564 419735753 /nfs/dbraw/zinc/73/57/53/419735753.db2.gz POYKWRGLDIKKAX-UHFFFAOYSA-N 0 2 305.319 1.323 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2ccc3c(c2)COC3)nc1 ZINC000437401229 420405777 /nfs/dbraw/zinc/40/57/77/420405777.db2.gz VZMNVVWDYHNVKT-UHFFFAOYSA-N 0 2 301.327 1.784 20 30 DDEDLN Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000438999639 420476015 /nfs/dbraw/zinc/47/60/15/420476015.db2.gz VSBPTBJGCVTIEV-UHFFFAOYSA-N 0 2 322.288 1.102 20 30 DDEDLN COc1ccc(OC)c(/C=C/C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000492894968 420702444 /nfs/dbraw/zinc/70/24/44/420702444.db2.gz JKQBFEXQNWBUEC-ZZXKWVIFSA-N 0 2 323.312 1.822 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2c[nH]nc2C)cc1C#N ZINC000353337975 269816908 /nfs/dbraw/zinc/81/69/08/269816908.db2.gz QUUIARVOMQIHCO-UHFFFAOYSA-N 0 2 303.347 1.342 20 30 DDEDLN N#CCc1cccc(S(=O)(=O)Nc2ncc(C#N)s2)c1 ZINC000589586794 422318524 /nfs/dbraw/zinc/31/85/24/422318524.db2.gz BUUPWVQROPINGX-UHFFFAOYSA-N 0 2 304.356 1.882 20 30 DDEDLN N#Cc1ncn(CCNc2nc(C3CCCCC3)ns2)n1 ZINC000578874480 422663949 /nfs/dbraw/zinc/66/39/49/422663949.db2.gz TXTGLMYOFLREER-UHFFFAOYSA-N 0 2 303.395 1.583 20 30 DDEDLN C[C@H](C1CC1)n1cc(NS(=O)(=O)c2cncc(C#N)c2)cn1 ZINC000357103817 267144197 /nfs/dbraw/zinc/14/41/97/267144197.db2.gz LDFYEPQMBOSZJM-SNVBAGLBSA-N 0 2 317.374 1.922 20 30 DDEDLN N#Cc1ccsc1C(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000365054586 268302825 /nfs/dbraw/zinc/30/28/25/268302825.db2.gz UCGITURBMURASW-UHFFFAOYSA-N 0 2 318.358 1.519 20 30 DDEDLN N#Cc1nc(NC(=O)Cn2ccc(=O)c3ccccc32)[nH]c1C#N ZINC000343588562 268323897 /nfs/dbraw/zinc/32/38/97/268323897.db2.gz TXUQBHKRJCQSPX-UHFFFAOYSA-N 0 2 318.296 1.107 20 30 DDEDLN CC(C)C[C@@H]1C[C@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC(=O)N1 ZINC000350006197 279056382 /nfs/dbraw/zinc/05/63/82/279056382.db2.gz IJNWAKFSLXQPHL-VHSXEESVSA-N 0 2 314.349 1.032 20 30 DDEDLN COc1ccc2c(c1)OC[C@@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)C2 ZINC000120131447 295268263 /nfs/dbraw/zinc/26/82/63/295268263.db2.gz AMFYGLYRLZZSBE-JTQLQIEISA-N 0 2 323.312 1.351 20 30 DDEDLN C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)NCC(F)(F)F ZINC000425232328 534081346 /nfs/dbraw/zinc/08/13/46/534081346.db2.gz WUIZRPZKAFXVER-VIFPVBQESA-N 0 2 321.324 1.948 20 30 DDEDLN CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738766694 601977881 /nfs/dbraw/zinc/97/78/81/601977881.db2.gz ROWVKSJIWPWPKH-WFASDCNBSA-N 0 2 310.398 1.115 20 30 DDEDLN CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](N(C)C(=O)[O-])C1 ZINC000738766694 601977880 /nfs/dbraw/zinc/97/78/80/601977880.db2.gz ROWVKSJIWPWPKH-WFASDCNBSA-N 0 2 310.398 1.115 20 30 DDEDLN C=CCc1cc(C[N@@H+]2CCO[C@H](CC(=O)[O-])C2)cc(OC)c1O ZINC000833380210 604652464 /nfs/dbraw/zinc/65/24/64/604652464.db2.gz YNNYHPDXBIKIIL-CQSZACIVSA-N 0 2 321.373 1.805 20 30 DDEDLN C=CCc1cc(C[N@H+]2CCO[C@H](CC(=O)[O-])C2)cc(OC)c1O ZINC000833380210 604652466 /nfs/dbraw/zinc/65/24/66/604652466.db2.gz YNNYHPDXBIKIIL-CQSZACIVSA-N 0 2 321.373 1.805 20 30 DDEDLN Cc1cc(C)c(C=Nn2c(C)cc(C)c(-c3nn[nH]n3)c2=O)[nH]1 ZINC000822194189 607147132 /nfs/dbraw/zinc/14/71/32/607147132.db2.gz MHTOTPXHFBXGBG-UHFFFAOYSA-N 0 2 311.349 1.472 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)C#N)cc2[nH]c1=S ZINC000104332481 696620051 /nfs/dbraw/zinc/62/00/51/696620051.db2.gz YPBRDLUKWLRBIS-VIFPVBQESA-N 0 2 314.370 1.513 20 30 DDEDLN CC(C)[C@@H](C#N)OC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000176031367 697400254 /nfs/dbraw/zinc/40/02/54/697400254.db2.gz NXMYDEXEFIHGFS-GFCCVEGCSA-N 0 2 317.370 1.927 20 30 DDEDLN C#CCOc1cccc(NS(=O)(=O)c2cnc3n2CCC3)c1 ZINC000783528082 698847430 /nfs/dbraw/zinc/84/74/30/698847430.db2.gz KUMOZEJIIYIJKV-UHFFFAOYSA-N 0 2 317.370 1.642 20 30 DDEDLN Cc1cc(=O)nc(NN=C2CC[C@H](C)C[C@@H]2n2cncn2)[nH]1 ZINC000794448656 699810384 /nfs/dbraw/zinc/81/03/84/699810384.db2.gz RFJMQCCORZSHOY-CABZTGNLSA-N 0 2 301.354 1.911 20 30 DDEDLN Cc1cc(=O)[nH]c(N=NC2CC[C@H](C)C[C@@H]2n2cncn2)n1 ZINC000794448656 699810387 /nfs/dbraw/zinc/81/03/87/699810387.db2.gz RFJMQCCORZSHOY-CABZTGNLSA-N 0 2 301.354 1.911 20 30 DDEDLN CNC(=O)C[C@@H]1SC(=Nc2cnc3ccccc3c2)NC1=O ZINC000743278070 699905773 /nfs/dbraw/zinc/90/57/73/699905773.db2.gz ZFILEOCFDMTCAL-LBPRGKRZSA-N 0 2 314.370 1.590 20 30 DDEDLN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)C(F)C(F)(F)F ZINC000764416811 700969873 /nfs/dbraw/zinc/96/98/73/700969873.db2.gz ILCBRXICIXGJGH-NKWVEPMBSA-N 0 2 310.213 1.887 20 30 DDEDLN O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)[C@@H](F)C(F)(F)F ZINC000764416811 700969875 /nfs/dbraw/zinc/96/98/75/700969875.db2.gz ILCBRXICIXGJGH-NKWVEPMBSA-N 0 2 310.213 1.887 20 30 DDEDLN C[C@H](NC(=O)C1CCCC1)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770866576 701298360 /nfs/dbraw/zinc/29/83/60/701298360.db2.gz UUCUJZDDICYKPB-CMPLNLGQSA-N 0 2 316.361 1.007 20 30 DDEDLN CCOc1cc(O)ccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000811701073 702027733 /nfs/dbraw/zinc/02/77/33/702027733.db2.gz SCUSYLOUXMEOPC-UHFFFAOYSA-N 0 2 319.342 1.858 20 30 DDEDLN COCCN(C[C@@H](O)C(F)(F)F)C(=O)[C@H](F)C(F)(F)F ZINC000848261633 703533308 /nfs/dbraw/zinc/53/33/08/703533308.db2.gz NPSRDCCSVKPHGO-RITPCOANSA-N 0 2 315.185 1.285 20 30 DDEDLN COCCN(C[C@@H](O)C(F)(F)F)C(=O)C(F)C(F)(F)F ZINC000848261633 703533306 /nfs/dbraw/zinc/53/33/06/703533306.db2.gz NPSRDCCSVKPHGO-RITPCOANSA-N 0 2 315.185 1.285 20 30 DDEDLN N#CC(C(=O)Cn1cc(C2CC2)cn1)c1nnc2n1CCCCC2 ZINC000850781704 703752530 /nfs/dbraw/zinc/75/25/30/703752530.db2.gz CHHPXUJEMVWRLV-AWEZNQCLSA-N 0 2 324.388 1.955 20 30 DDEDLN N#C[C@@H](C(=O)Cn1cc(C2CC2)cn1)c1nnc2n1CCCCC2 ZINC000850781704 703752531 /nfs/dbraw/zinc/75/25/31/703752531.db2.gz CHHPXUJEMVWRLV-AWEZNQCLSA-N 0 2 324.388 1.955 20 30 DDEDLN C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000819736701 704166485 /nfs/dbraw/zinc/16/64/85/704166485.db2.gz NLAAACXBUJPGOF-CABZTGNLSA-N 0 2 316.386 1.634 20 30 DDEDLN CC(C)CCNC(=O)C[C@@H]1S/C(=N/CCC2CC2)NC1=O ZINC000864345133 706143416 /nfs/dbraw/zinc/14/34/16/706143416.db2.gz PCOBJYVDOCMMKR-LBPRGKRZSA-N 0 2 311.451 1.927 20 30 DDEDLN O=C1C[C@@H](/N=C\c2cc([N+](=O)[O-])ccc2O)CN1CC1CC1 ZINC000887271064 709003208 /nfs/dbraw/zinc/00/32/08/709003208.db2.gz ZDQPFQAKBIMENW-YNUIFBACSA-N 0 2 303.318 1.730 20 30 DDEDLN C=C(Cl)C[C@@H]([NH3+])C(=O)[N-]S(=O)(=O)CC1CCCCC1 ZINC000901017820 709882792 /nfs/dbraw/zinc/88/27/92/709882792.db2.gz GBEDWNXEQNPQHZ-LLVKDONJSA-N 0 2 308.831 1.483 20 30 DDEDLN CCCNC(=S)N[NH+]=Cc1cc(C(=O)[O-])ccc1N(C)C ZINC000901153976 709949363 /nfs/dbraw/zinc/94/93/63/709949363.db2.gz NBLRJAAQLJSHJU-UHFFFAOYSA-N 0 2 308.407 1.659 20 30 DDEDLN Cc1[nH][nH]c(=O)c1Sc1nc(C(F)(F)F)ccc1C#N ZINC000917512231 713501596 /nfs/dbraw/zinc/50/15/96/713501596.db2.gz BXQONDROFMDIAA-QMMMGPOBSA-N 0 2 300.265 1.938 20 30 DDEDLN C#CCC[NH+]1CC([C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC000969672828 720244444 /nfs/dbraw/zinc/24/44/44/720244444.db2.gz FUXYTMWAMAHOJJ-AWEZNQCLSA-N 0 2 310.401 1.716 20 30 DDEDLN N#Cc1ccc(N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)nc1 ZINC001059097560 739932421 /nfs/dbraw/zinc/93/24/21/739932421.db2.gz HILFJQLTDPAAMZ-ONGXEEELSA-N 0 2 316.258 1.866 20 30 DDEDLN N#Cc1ccc(N[C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)nc1 ZINC001059097560 739932429 /nfs/dbraw/zinc/93/24/29/739932429.db2.gz HILFJQLTDPAAMZ-ONGXEEELSA-N 0 2 316.258 1.866 20 30 DDEDLN C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001088674851 742070619 /nfs/dbraw/zinc/07/06/19/742070619.db2.gz ZWPXZBHHZIQGNN-YCPHGPKFSA-N 0 2 302.422 1.601 20 30 DDEDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc([N+](=O)[O-])cc1 ZINC001187586540 744579852 /nfs/dbraw/zinc/57/98/52/744579852.db2.gz PLMJTCAMOSJOPA-QMMMGPOBSA-N 0 2 315.289 1.027 20 30 DDEDLN C[C@@H](C#N)S(=O)(=O)Nc1cnc(C#N)c(C(F)(F)F)c1 ZINC001193107438 745980986 /nfs/dbraw/zinc/98/09/86/745980986.db2.gz VRAQHVDCRWXVRB-LURJTMIESA-N 0 2 304.253 1.626 20 30 DDEDLN COc1ncccc1S(=O)(=O)Nc1cccc(CC#N)c1 ZINC001194717434 746448682 /nfs/dbraw/zinc/44/86/82/746448682.db2.gz DODQIGBVXPEIDN-UHFFFAOYSA-N 0 2 303.343 1.957 20 30 DDEDLN COc1cccc(CS(=O)(=O)Nc2cccnc2C#N)c1 ZINC001197347512 747133704 /nfs/dbraw/zinc/13/37/04/747133704.db2.gz YTGYDLZOCSFEGV-UHFFFAOYSA-N 0 2 303.343 1.904 20 30 DDEDLN Cc1cc(C#N)nc(NC[C@H](C)NC(=O)C(F)C(F)(F)F)n1 ZINC001108739906 762897316 /nfs/dbraw/zinc/89/73/16/762897316.db2.gz SAZZBLQWNZSWPS-CBAPKCEASA-N 0 2 319.262 1.474 20 30 DDEDLN Cc1cc(C#N)nc(NC[C@H](C)NC(=O)[C@H](F)C(F)(F)F)n1 ZINC001108739906 762897326 /nfs/dbraw/zinc/89/73/26/762897326.db2.gz SAZZBLQWNZSWPS-CBAPKCEASA-N 0 2 319.262 1.474 20 30 DDEDLN N#CCOc1ccccc1NS(=O)(=O)c1cncc(N)c1 ZINC001212599435 764837419 /nfs/dbraw/zinc/83/74/19/764837419.db2.gz UKDFZMNKVHOQNE-UHFFFAOYSA-N 0 2 304.331 1.367 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)cn1 ZINC001097106455 771625694 /nfs/dbraw/zinc/62/56/94/771625694.db2.gz RDTWMCRVNFUFRU-DCAQKATOSA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@H](NC(=O)[C@H](F)C(F)(F)F)C2)cn1 ZINC001097106455 771625697 /nfs/dbraw/zinc/62/56/97/771625697.db2.gz RDTWMCRVNFUFRU-DCAQKATOSA-N 0 2 316.258 1.913 20 30 DDEDLN C#CCCCCC(=O)N(C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001286010358 843623827 /nfs/dbraw/zinc/62/38/27/843623827.db2.gz ZAYGLIDCQWGGLM-LBPRGKRZSA-N 0 2 322.302 1.750 20 30 DDEDLN C#CCCCCC(=O)N(C)C1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001286010358 843623834 /nfs/dbraw/zinc/62/38/34/843623834.db2.gz ZAYGLIDCQWGGLM-LBPRGKRZSA-N 0 2 322.302 1.750 20 30 DDEDLN C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)c(O)c(F)c1 ZINC001272782442 847421595 /nfs/dbraw/zinc/42/15/95/847421595.db2.gz NIGIPJJWIYICIC-HUUCEWRRSA-N 0 2 320.339 1.869 20 30 DDEDLN C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)c(O)c(F)c1 ZINC001272782442 847421611 /nfs/dbraw/zinc/42/16/11/847421611.db2.gz NIGIPJJWIYICIC-HUUCEWRRSA-N 0 2 320.339 1.869 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCCCC[C@@H]1CNC(=O)c1[nH]ncc1F ZINC001005516099 848038510 /nfs/dbraw/zinc/03/85/10/848038510.db2.gz APGROCUVXBXCJY-WDEREUQCSA-N 0 2 321.356 1.209 20 30 DDEDLN Cc1[nH]nc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)c1C#N ZINC001413274796 856601150 /nfs/dbraw/zinc/60/11/50/856601150.db2.gz YHKOZNLGMRCPCH-UHFFFAOYSA-N 0 2 316.321 1.521 20 30 DDEDLN Cc1[nH]nc(NC(=O)c2cc(C(=O)OC(C)(C)C)[nH]n2)c1C#N ZINC001413274796 856601152 /nfs/dbraw/zinc/60/11/52/856601152.db2.gz YHKOZNLGMRCPCH-UHFFFAOYSA-N 0 2 316.321 1.521 20 30 DDEDLN CC(=O)NCCCCCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC001122632013 858921115 /nfs/dbraw/zinc/92/11/15/858921115.db2.gz NMBARKXBZLCYBZ-GFCCVEGCSA-N 0 2 304.350 1.008 20 30 DDEDLN Cc1ccc2ncc(O)c(C(=O)n3nc(N)c(C#N)c3N)c2c1 ZINC001154527941 861177100 /nfs/dbraw/zinc/17/71/00/861177100.db2.gz JOGZUHDXPJWPMT-UHFFFAOYSA-N 0 2 308.301 1.170 20 30 DDEDLN C=CCOC[C@@H]([NH2+]Cc1nc(-c2ccccc2)c[nH]1)C(=O)[O-] ZINC001331962191 865463378 /nfs/dbraw/zinc/46/33/78/865463378.db2.gz CKNRKTUIMVIJJB-CQSZACIVSA-N 0 2 301.346 1.822 20 30 DDEDLN CC(C)C#CC(=O)NCC1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001333713826 866957707 /nfs/dbraw/zinc/95/77/07/866957707.db2.gz FOCSIGAQPNXMQT-RTYFJBAXSA-N 0 2 322.302 1.557 20 30 DDEDLN CC(C)C#CC(=O)NCC1CC(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001333713826 866957713 /nfs/dbraw/zinc/95/77/13/866957713.db2.gz FOCSIGAQPNXMQT-RTYFJBAXSA-N 0 2 322.302 1.557 20 30 DDEDLN C=CCC1(O)CCN(c2nnc(-c3n[nH]c(Cl)n3)n2C)CC1 ZINC001339428710 870495195 /nfs/dbraw/zinc/49/51/95/870495195.db2.gz VRCDMLBDYVEVHA-UHFFFAOYSA-N 0 2 323.788 1.161 20 30 DDEDLN C=C(C)C(=O)OC[C@H](C)Oc1[nH]c(=O)nnc1Br ZINC001227064455 882805434 /nfs/dbraw/zinc/80/54/34/882805434.db2.gz QBXRMIGMQBIXOD-LURJTMIESA-N 0 2 318.127 1.226 20 30 DDEDLN C#CCCCCC(=O)N[C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001358503107 880453409 /nfs/dbraw/zinc/45/34/09/880453409.db2.gz ZGQZSRDZQJVWJN-ONGXEEELSA-N 0 2 310.291 1.701 20 30 DDEDLN C#CCCCCC(=O)N[C@@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001358503107 880453421 /nfs/dbraw/zinc/45/34/21/880453421.db2.gz ZGQZSRDZQJVWJN-ONGXEEELSA-N 0 2 310.291 1.701 20 30 DDEDLN CC[C@H](C#CC(=O)OC)O/C(=N\O)c1cc(OC)ccc1OC ZINC001223891154 881135491 /nfs/dbraw/zinc/13/54/91/881135491.db2.gz FFFGMLWPQSTRQZ-RRGFCBMYSA-N 0 2 321.329 1.811 20 30 DDEDLN C=C[C@H](CC)CC(=O)NC1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001228810665 883681661 /nfs/dbraw/zinc/68/16/61/883681661.db2.gz ZRVDWHIPKUFSIT-LLVKDONJSA-N 0 2 307.398 1.193 20 30 DDEDLN O=C1C=C[C@@H](Oc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)C1 ZINC001229624796 884083654 /nfs/dbraw/zinc/08/36/54/884083654.db2.gz OJPJXWSSZFQSHP-OLZOCXBDSA-N 0 2 303.339 1.857 20 30 DDEDLN C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1Cc1n[nH]c(=O)[nH]1 ZINC001234538446 888070124 /nfs/dbraw/zinc/07/01/24/888070124.db2.gz YODNJCYVHCSHGQ-LLVKDONJSA-N 0 2 307.398 1.145 20 30 DDEDLN C=CCN1C(=O)CC[C@]12CCCN(Cc1nc[nH]n1)[C@H]2CC ZINC001237600229 889736916 /nfs/dbraw/zinc/73/69/16/889736916.db2.gz PMUGWODWOVGNFG-BBRMVZONSA-N 0 2 303.410 1.726 20 30 DDEDLN C=CCN1C(=O)CC[C@]12CCCN(Cc1nnc[nH]1)[C@H]2CC ZINC001237600229 889736923 /nfs/dbraw/zinc/73/69/23/889736923.db2.gz PMUGWODWOVGNFG-BBRMVZONSA-N 0 2 303.410 1.726 20 30 DDEDLN C#Cc1cccnc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC001251808043 894817199 /nfs/dbraw/zinc/81/71/99/894817199.db2.gz DUEWHHTZWZDQFQ-UHFFFAOYSA-N 0 2 315.354 1.822 20 30 DDEDLN C=CCCCCCC[C@@H](O)C[NH2+][C@@H](CCC(=O)[O-])C(=O)OC ZINC001253248802 895747596 /nfs/dbraw/zinc/74/75/96/895747596.db2.gz CEBWBXGTMOQPJE-KGLIPLIRSA-N 0 2 315.410 1.870 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC001254992352 896686952 /nfs/dbraw/zinc/68/69/52/896686952.db2.gz YWZVCMCMQQPOCA-JTQLQIEISA-N 0 2 320.729 1.213 20 30 DDEDLN C=CCS(=O)(=O)Nc1c2nccnc2oc1C(=O)OCC ZINC001259922650 898936068 /nfs/dbraw/zinc/93/60/68/898936068.db2.gz POQJPFABWBWOEJ-UHFFFAOYSA-N 0 2 311.319 1.327 20 30 DDEDLN N#Cc1ncc(NS(=O)(=O)c2cccc3nsnc32)cn1 ZINC001260383366 899130959 /nfs/dbraw/zinc/13/09/59/899130959.db2.gz OPJQSMTUKXMSSV-UHFFFAOYSA-N 0 2 318.343 1.154 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cn(C)nc2C#N)cc1C ZINC001260633627 899191036 /nfs/dbraw/zinc/19/10/36/899191036.db2.gz OTMZRSZASXPDFH-UHFFFAOYSA-N 0 2 306.347 1.410 20 30 DDEDLN CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)c2[nH]nc(C)c2[O-])C1 ZINC001265387199 901954148 /nfs/dbraw/zinc/95/41/48/901954148.db2.gz VDWMJAPKMQSLSO-CYBMUJFWSA-N 0 2 304.394 1.231 20 30 DDEDLN CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)c2[nH]nc(C)c2[O-])C1 ZINC001265387199 901954156 /nfs/dbraw/zinc/95/41/56/901954156.db2.gz VDWMJAPKMQSLSO-CYBMUJFWSA-N 0 2 304.394 1.231 20 30 DDEDLN COc1ccc(/C=C\C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1OC ZINC000255030512 282226803 /nfs/dbraw/zinc/22/68/03/282226803.db2.gz LJMOLCRABAFCFF-XQRVVYSFSA-N 0 2 323.312 1.822 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)s1 ZINC000331839032 234181572 /nfs/dbraw/zinc/18/15/72/234181572.db2.gz OYYQHKSFRUFFMU-MRVPVSSYSA-N 0 2 304.331 1.728 20 30 DDEDLN Cc1nn2cccnc2c1C(=O)[C@H](C#N)c1cc(C)nc(C)n1 ZINC000070032556 353178944 /nfs/dbraw/zinc/17/89/44/353178944.db2.gz WDWKYPXUMRHNKQ-GFCCVEGCSA-N 0 2 306.329 1.935 20 30 DDEDLN Cc1nn2cccnc2c1C(=O)[C@@H](C#N)c1cc(C)nc(C)n1 ZINC000070032558 353178993 /nfs/dbraw/zinc/17/89/93/353178993.db2.gz WDWKYPXUMRHNKQ-LBPRGKRZSA-N 0 2 306.329 1.935 20 30 DDEDLN O=C(CNC(=O)C1CC1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000076687345 353432699 /nfs/dbraw/zinc/43/26/99/353432699.db2.gz ROMYUIJYFKGMNG-UHFFFAOYSA-N 0 2 303.297 1.725 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2cnc3c(c2)COCC3)c1 ZINC000589588673 355002802 /nfs/dbraw/zinc/00/28/02/355002802.db2.gz CCASRPUQBWQEHO-UHFFFAOYSA-N 0 2 316.342 1.222 20 30 DDEDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC2(C#N)CC2)=N1 ZINC000081761207 192321108 /nfs/dbraw/zinc/32/11/08/192321108.db2.gz QLJILJOTDBLPGZ-UHFFFAOYSA-N 0 2 300.293 1.811 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC[C@@H]2CCCOC2)cc1C#N ZINC000600172677 358145684 /nfs/dbraw/zinc/14/56/84/358145684.db2.gz LXPLNSLIKFDPNL-JTQLQIEISA-N 0 2 321.402 1.927 20 30 DDEDLN Cc1cc(N2CCC(n3cc(C(=O)[O-])nn3)CC2)c(C#N)c[nH+]1 ZINC000600676519 358279662 /nfs/dbraw/zinc/27/96/62/358279662.db2.gz YXJFTMPUCFLHBL-UHFFFAOYSA-N 0 2 312.333 1.393 20 30 DDEDLN C=C(C)COCCNC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000612435933 361013853 /nfs/dbraw/zinc/01/38/53/361013853.db2.gz KAICHZVVJKVRGW-UHFFFAOYSA-N 0 2 303.318 1.352 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1nnc(C2CC2)o1 ZINC000194729203 201278173 /nfs/dbraw/zinc/27/81/73/201278173.db2.gz GZFYNNXIJGLMLE-UHFFFAOYSA-N 0 2 304.331 1.928 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCSC2)cc1C#N ZINC000330964742 533079147 /nfs/dbraw/zinc/07/91/47/533079147.db2.gz MIPZEJTZHXPRCB-MRVPVSSYSA-N 0 2 309.416 1.864 20 30 DDEDLN CN(Cc1ccc(C#N)cc1)C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000181766398 408038089 /nfs/dbraw/zinc/03/80/89/408038089.db2.gz NLXDVAZJXFBLLJ-UHFFFAOYSA-N 0 2 321.340 1.818 20 30 DDEDLN N#Cc1nc(NC(=O)c2cccc([C@@H]3CCOC3)c2)[nH]c1C#N ZINC000270568306 408584136 /nfs/dbraw/zinc/58/41/36/408584136.db2.gz NXHTXHNQAAVGOA-GFCCVEGCSA-N 0 2 307.313 1.909 20 30 DDEDLN N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000289387576 409259554 /nfs/dbraw/zinc/25/95/54/409259554.db2.gz JSVIHSPCAUXZLT-NSHDSACASA-N 0 2 301.325 1.488 20 30 DDEDLN N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC000289387576 409259560 /nfs/dbraw/zinc/25/95/60/409259560.db2.gz JSVIHSPCAUXZLT-NSHDSACASA-N 0 2 301.325 1.488 20 30 DDEDLN N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC000289387576 409259562 /nfs/dbraw/zinc/25/95/62/409259562.db2.gz JSVIHSPCAUXZLT-NSHDSACASA-N 0 2 301.325 1.488 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2[C@@H](C)COC[C@@H]2C)cc1C#N ZINC000408136277 164238615 /nfs/dbraw/zinc/23/86/15/164238615.db2.gz CLUDZANVKJFLGT-IUCAKERBSA-N 0 2 307.375 1.630 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@@H](O)C(C)(C)C2)cc1C#N ZINC000408265227 164280095 /nfs/dbraw/zinc/28/00/95/164280095.db2.gz JIGKDUMWOPMBMU-SNVBAGLBSA-N 0 2 307.375 1.224 20 30 DDEDLN CC[C@H]1CC[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000408489175 164347901 /nfs/dbraw/zinc/34/79/01/164347901.db2.gz QGRDBLZPBZWCNK-AULYBMBSSA-N 0 2 321.402 1.975 20 30 DDEDLN C=CCSCCNC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000357304877 409967164 /nfs/dbraw/zinc/96/71/64/409967164.db2.gz KEUQZJDMBGKTBF-UHFFFAOYSA-N 0 2 320.374 1.393 20 30 DDEDLN N#Cc1ccsc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000329059968 410080766 /nfs/dbraw/zinc/08/07/66/410080766.db2.gz JFPLLNADHWGAJQ-SECBINFHSA-N 0 2 303.347 1.463 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2C[C@@H](O)C2(C)C)cc1C#N ZINC000332415845 410139741 /nfs/dbraw/zinc/13/97/41/410139741.db2.gz BTTMWSHKANULEP-VHSXEESVSA-N 0 2 307.375 1.270 20 30 DDEDLN Cc1[nH]ncc1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000358485486 410477464 /nfs/dbraw/zinc/47/74/64/410477464.db2.gz BNONAMRMYFAMTC-UHFFFAOYSA-N 0 2 310.766 1.722 20 30 DDEDLN N#CCc1ccccc1S(=O)(=O)Nc1ccc2[nH]nnc2c1 ZINC000355834261 410694755 /nfs/dbraw/zinc/69/47/55/410694755.db2.gz PQJOTEFZKBJICO-UHFFFAOYSA-N 0 2 313.342 1.825 20 30 DDEDLN N#CCc1ccccc1S(=O)(=O)Nc1ccc2n[nH]nc2c1 ZINC000355834261 410694756 /nfs/dbraw/zinc/69/47/56/410694756.db2.gz PQJOTEFZKBJICO-UHFFFAOYSA-N 0 2 313.342 1.825 20 30 DDEDLN N#CCc1ccccc1S(=O)(=O)Nc1ccc2nn[nH]c2c1 ZINC000355834261 410694757 /nfs/dbraw/zinc/69/47/57/410694757.db2.gz PQJOTEFZKBJICO-UHFFFAOYSA-N 0 2 313.342 1.825 20 30 DDEDLN CN(CC(C)(C)C#N)C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000353295462 410905502 /nfs/dbraw/zinc/90/55/02/410905502.db2.gz NIHFSXPPRBWNGD-UHFFFAOYSA-N 0 2 301.306 1.058 20 30 DDEDLN CC(=O)Nc1ccc(C(=O)[C@@H](C#N)c2cc(C)nc(C)n2)nc1 ZINC000360327483 411127347 /nfs/dbraw/zinc/12/73/47/411127347.db2.gz WTKDLCFUPOUDSU-ZDUSSCGKSA-N 0 2 309.329 1.937 20 30 DDEDLN COc1cc(NS(=O)(=O)c2cccc(CC#N)c2)nn1C ZINC000619463797 417249869 /nfs/dbraw/zinc/24/98/69/417249869.db2.gz GNIXPWUPFNPJHB-UHFFFAOYSA-N 0 2 306.347 1.296 20 30 DDEDLN Cc1c(C#N)cccc1NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000178768655 221876530 /nfs/dbraw/zinc/87/65/30/221876530.db2.gz XBYLDADWUCLFON-UHFFFAOYSA-N 0 2 321.296 1.044 20 30 DDEDLN COc1cccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1O ZINC000427325801 419638538 /nfs/dbraw/zinc/63/85/38/419638538.db2.gz ZCQBGWAUDNAONX-UHFFFAOYSA-N 0 2 319.342 1.777 20 30 DDEDLN O=C(NCC#CCO)c1cc(Cl)cc(Br)c1O ZINC000436696925 420354758 /nfs/dbraw/zinc/35/47/58/420354758.db2.gz INCLQZIHVMYKOL-UHFFFAOYSA-N 0 2 318.554 1.534 20 30 DDEDLN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000567181350 421610879 /nfs/dbraw/zinc/61/08/79/421610879.db2.gz RGTZPQVILNCXEW-ABAIWWIYSA-N 0 2 315.377 1.521 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]([C@H](C)O)C2)cc1C#N ZINC000533016163 421667691 /nfs/dbraw/zinc/66/76/91/421667691.db2.gz NQKPHLIATSHWDW-UWVGGRQHSA-N 0 2 321.402 1.614 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2cccc3c2OCCO3)s1 ZINC000610725209 422471863 /nfs/dbraw/zinc/47/18/63/422471863.db2.gz NFRCRYWMWHWDDO-UHFFFAOYSA-N 0 2 323.355 1.587 20 30 DDEDLN N#Cc1ccnc(N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1Cl ZINC000343159378 268291811 /nfs/dbraw/zinc/29/18/11/268291811.db2.gz PTIWIRKSSZUVMG-VIFPVBQESA-N 0 2 304.741 1.814 20 30 DDEDLN COCC1(C#N)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000357083277 336573040 /nfs/dbraw/zinc/57/30/40/336573040.db2.gz BHINEPASEMYIRK-UHFFFAOYSA-N 0 2 319.317 1.693 20 30 DDEDLN Cc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n(CCC#N)n1 ZINC000543537515 341048732 /nfs/dbraw/zinc/04/87/32/341048732.db2.gz ACQIGYCSPVETKV-UHFFFAOYSA-N 0 2 315.289 1.971 20 30 DDEDLN C=CCCn1cc(C[N@@H+](C)[C@H](Cc2ccccc2)C(=O)[O-])nn1 ZINC000656190618 484006671 /nfs/dbraw/zinc/00/66/71/484006671.db2.gz KTJVJKHVWDFHKN-MRXNPFEDSA-N 0 2 314.389 1.982 20 30 DDEDLN C=CCCn1cc(C[N@H+](C)[C@H](Cc2ccccc2)C(=O)[O-])nn1 ZINC000656190618 484006678 /nfs/dbraw/zinc/00/66/78/484006678.db2.gz KTJVJKHVWDFHKN-MRXNPFEDSA-N 0 2 314.389 1.982 20 30 DDEDLN C[C@@H]1C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1NC(=O)[O-] ZINC000739175311 603411851 /nfs/dbraw/zinc/41/18/51/603411851.db2.gz KIPHQOFETNTJGV-LERXQTSPSA-N 0 2 316.361 1.063 20 30 DDEDLN C[C@@H]1C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[C@H]1NC(=O)[O-] ZINC000739175311 603411852 /nfs/dbraw/zinc/41/18/52/603411852.db2.gz KIPHQOFETNTJGV-LERXQTSPSA-N 0 2 316.361 1.063 20 30 DDEDLN C=CCOc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])cc1 ZINC000320642963 604894593 /nfs/dbraw/zinc/89/45/93/604894593.db2.gz IJIXTCAVPUBMAD-AWEZNQCLSA-N 0 2 315.329 1.400 20 30 DDEDLN C=CCOc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC000320642963 604894596 /nfs/dbraw/zinc/89/45/96/604894596.db2.gz IJIXTCAVPUBMAD-AWEZNQCLSA-N 0 2 315.329 1.400 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2NCC1(NC(=O)[O-])CCC1 ZINC000833965512 605361865 /nfs/dbraw/zinc/36/18/65/605361865.db2.gz MSPOKVMYJNNIFA-UHFFFAOYSA-N 0 2 315.337 1.342 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000833967052 605688002 /nfs/dbraw/zinc/68/80/02/605688002.db2.gz PFCGSTLZZYVNEF-UKRRQHHQSA-N 0 2 311.345 1.464 20 30 DDEDLN Cc1nn(C)c(C(=O)Nc2cc(C#N)ccc2O)c1[N+](=O)[O-] ZINC000179731420 697441007 /nfs/dbraw/zinc/44/10/07/697441007.db2.gz QEQIQJQCLWUCKM-UHFFFAOYSA-N 0 2 301.262 1.466 20 30 DDEDLN COC(=O)[C@@H]1CCC[C@H](C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)C1 ZINC000245903705 698340135 /nfs/dbraw/zinc/34/01/35/698340135.db2.gz AKHJROQOEAZMHV-TUAOUCFPSA-N 0 2 317.345 1.291 20 30 DDEDLN CC[C@@H]1C[C@@H](CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CCO1 ZINC000781826152 698652260 /nfs/dbraw/zinc/65/22/60/698652260.db2.gz WTUNOTAOBPKHGG-XQQFMLRXSA-N 0 2 303.362 1.907 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)Cn3ccccc3=O)nc21 ZINC000750731886 700243680 /nfs/dbraw/zinc/24/36/80/700243680.db2.gz ZHKJAFJBICABFY-LLVKDONJSA-N 0 2 307.313 1.305 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@H]2CO[C@H](C)C2)n1 ZINC000784497206 698942892 /nfs/dbraw/zinc/94/28/92/698942892.db2.gz DKSGPJBZMQYJIK-OPRDCNLKSA-N 0 2 308.359 1.921 20 30 DDEDLN N#CC(C(=O)COCCNC(=O)c1ccccc1)c1ccccn1 ZINC000784834807 699041717 /nfs/dbraw/zinc/04/17/17/699041717.db2.gz TYRFILUBCYOLCY-OAHLLOKOSA-N 0 2 323.352 1.704 20 30 DDEDLN N#C[C@@H](C(=O)COCCNC(=O)c1ccccc1)c1ccccn1 ZINC000784834807 699041720 /nfs/dbraw/zinc/04/17/20/699041720.db2.gz TYRFILUBCYOLCY-OAHLLOKOSA-N 0 2 323.352 1.704 20 30 DDEDLN Cn1ncc2c1[nH]c(NN=C1[C@@H]3CCCO[C@@H]3C1(C)C)nc2=O ZINC000769815936 701257690 /nfs/dbraw/zinc/25/76/90/701257690.db2.gz ANUANPKILMMDAI-KWQFWETISA-N 0 2 316.365 1.672 20 30 DDEDLN Cn1ncc2c1nc(N=NC1[C@@H]3CCCO[C@@H]3C1(C)C)[nH]c2=O ZINC000769815936 701257691 /nfs/dbraw/zinc/25/76/91/701257691.db2.gz ANUANPKILMMDAI-KWQFWETISA-N 0 2 316.365 1.672 20 30 DDEDLN C#C[C@H](CO)NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000854772853 704450349 /nfs/dbraw/zinc/45/03/49/704450349.db2.gz BLDABNPLOYWBTA-CYBMUJFWSA-N 0 2 313.357 1.425 20 30 DDEDLN O=C(NCC[S@@](=O)CC(F)(F)F)C(F)C(F)(F)F ZINC000855267683 704476149 /nfs/dbraw/zinc/47/61/49/704476149.db2.gz DPCKKKLXHWHVDQ-CJIKFEGJSA-N 0 2 303.199 1.314 20 30 DDEDLN O=C(NCC[S@@](=O)CC(F)(F)F)[C@@H](F)C(F)(F)F ZINC000855267683 704476150 /nfs/dbraw/zinc/47/61/50/704476150.db2.gz DPCKKKLXHWHVDQ-CJIKFEGJSA-N 0 2 303.199 1.314 20 30 DDEDLN CCOC(=O)C[C@@H](NC(=O)C(F)C(F)(F)F)C(F)(F)F ZINC000855516766 704490153 /nfs/dbraw/zinc/49/01/53/704490153.db2.gz CWEGJJNOECYQTA-INEUFUBQSA-N 0 2 313.169 1.887 20 30 DDEDLN N#C[C@H](C(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1nc2ccccc2o1 ZINC000826379519 705796499 /nfs/dbraw/zinc/79/64/99/705796499.db2.gz UJBXLYQUTKTPQT-SECBINFHSA-N 0 2 319.284 1.826 20 30 DDEDLN N#CC(C(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1nc2ccccc2o1 ZINC000826379519 705796502 /nfs/dbraw/zinc/79/65/02/705796502.db2.gz UJBXLYQUTKTPQT-SECBINFHSA-N 0 2 319.284 1.826 20 30 DDEDLN C#CCOCCNC(=O)c1cc(Br)c(F)cc1O ZINC000828329081 706161481 /nfs/dbraw/zinc/16/14/81/706161481.db2.gz YVIUWFYVYGMXHV-UHFFFAOYSA-N 0 2 316.126 1.673 20 30 DDEDLN C#CCSCC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000897419020 708321222 /nfs/dbraw/zinc/32/12/22/708321222.db2.gz TYTQCSRRDPOBFC-UHFFFAOYSA-N 0 2 316.386 1.366 20 30 DDEDLN Cc1cc(O)c(C(=O)C=Cc2cccc3c2CCOC3)c(=O)o1 ZINC000901417641 710033229 /nfs/dbraw/zinc/03/32/29/710033229.db2.gz RHNCHMGRFBJXJV-RTRPANQVSA-N 0 2 312.321 1.988 20 30 DDEDLN C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC000969165672 719984828 /nfs/dbraw/zinc/98/48/28/719984828.db2.gz ALJHWXOLWRKHFV-DOLQZWNJSA-N 0 2 321.274 1.248 20 30 DDEDLN C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(F)(F)F ZINC000969165672 719984830 /nfs/dbraw/zinc/98/48/30/719984830.db2.gz ALJHWXOLWRKHFV-DOLQZWNJSA-N 0 2 321.274 1.248 20 30 DDEDLN C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2n[nH]c(=O)[n-]2)CC1 ZINC001028116179 739055314 /nfs/dbraw/zinc/05/53/14/739055314.db2.gz DCVZEYPXTSYAHH-ZDUSSCGKSA-N 0 2 319.409 1.337 20 30 DDEDLN C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2n[nH]c(=O)[n-]2)CC1 ZINC001028116179 739055317 /nfs/dbraw/zinc/05/53/17/739055317.db2.gz DCVZEYPXTSYAHH-ZDUSSCGKSA-N 0 2 319.409 1.337 20 30 DDEDLN C#Cc1cc(=NS(=O)(=O)c2cccc(C(C)=O)c2)cc[nH]1 ZINC001189192080 744840593 /nfs/dbraw/zinc/84/05/93/744840593.db2.gz YBENRAXNJDGWEX-UHFFFAOYSA-N 0 2 300.339 1.488 20 30 DDEDLN Cn1cnc(NS(=O)(=O)Cc2ccc(F)cc2F)c1C#N ZINC001189789220 744982671 /nfs/dbraw/zinc/98/26/71/744982671.db2.gz HSNFFRDEMMDOCV-UHFFFAOYSA-N 0 2 312.301 1.512 20 30 DDEDLN CCOC(=O)c1ccc(NS(=O)(=O)[C@H](C)C#N)c(F)c1 ZINC001193097925 745976518 /nfs/dbraw/zinc/97/65/18/745976518.db2.gz VDRWMRQYDXMFLD-MRVPVSSYSA-N 0 2 300.311 1.656 20 30 DDEDLN CCc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)[C@H](C)C#N ZINC001193157995 746001479 /nfs/dbraw/zinc/00/14/79/746001479.db2.gz KJROUKQLGRFLCH-SECBINFHSA-N 0 2 316.404 1.306 20 30 DDEDLN Cc1cc(O)cc(O)c1C(=O)N=C(N)c1ccc(C(N)=O)cc1 ZINC001193946301 746248600 /nfs/dbraw/zinc/24/86/00/746248600.db2.gz SDXNDDXFFOCWSI-UHFFFAOYSA-N 0 2 313.313 1.051 20 30 DDEDLN N#Cc1ccc(NC/C=C\CNC(=O)C(F)C(F)(F)F)nc1 ZINC001107561291 750139486 /nfs/dbraw/zinc/13/94/86/750139486.db2.gz KASHZSLEGOYTSM-BVBSBALXSA-N 0 2 316.258 1.938 20 30 DDEDLN N#Cc1ccc(NC/C=C\CNC(=O)[C@H](F)C(F)(F)F)nc1 ZINC001107561291 750139487 /nfs/dbraw/zinc/13/94/87/750139487.db2.gz KASHZSLEGOYTSM-BVBSBALXSA-N 0 2 316.258 1.938 20 30 DDEDLN CC#CC[N@H+]1CCC[C@H](NC(=O)c2occc2C[NH+](C)C)C1 ZINC001008343982 752682479 /nfs/dbraw/zinc/68/24/79/752682479.db2.gz PKNWPJJPALGGDL-HNNXBMFYSA-N 0 2 303.406 1.559 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C(F)C(F)(F)F)C2 ZINC001019365349 759857178 /nfs/dbraw/zinc/85/71/78/759857178.db2.gz ZEOSMFDHWKNVND-IUCAKERBSA-N 0 2 321.274 1.107 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001019365349 759857185 /nfs/dbraw/zinc/85/71/85/759857185.db2.gz ZEOSMFDHWKNVND-IUCAKERBSA-N 0 2 321.274 1.107 20 30 DDEDLN N#Cc1cnc(N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cn1 ZINC001056804098 761444155 /nfs/dbraw/zinc/44/41/55/761444155.db2.gz OUMVBLJWXWLOBR-XCBNKYQSSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)cn1 ZINC001056804098 761444158 /nfs/dbraw/zinc/44/41/58/761444158.db2.gz OUMVBLJWXWLOBR-XCBNKYQSSA-N 0 2 317.246 1.261 20 30 DDEDLN Cc1cc(NC[C@H](C)NC(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001108739484 762897623 /nfs/dbraw/zinc/89/76/23/762897623.db2.gz FJDDIIKCASALKE-KWQFWETISA-N 0 2 318.274 1.501 20 30 DDEDLN Cc1cc(NC[C@H](C)NC(=O)[C@H](F)C(F)(F)F)c(C#N)cn1 ZINC001108739484 762897626 /nfs/dbraw/zinc/89/76/26/762897626.db2.gz FJDDIIKCASALKE-KWQFWETISA-N 0 2 318.274 1.501 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001098327426 763526868 /nfs/dbraw/zinc/52/68/68/763526868.db2.gz JEPNSYMHKJLBRG-RCOVLWMOSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1cnc(C#N)cn1 ZINC001098327426 763526874 /nfs/dbraw/zinc/52/68/74/763526874.db2.gz JEPNSYMHKJLBRG-RCOVLWMOSA-N 0 2 305.235 1.165 20 30 DDEDLN C=CCCC(=O)N[C@@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001070840581 768751159 /nfs/dbraw/zinc/75/11/59/768751159.db2.gz FRGRYWFDVCGURR-KOLCDFICSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001070840581 768751162 /nfs/dbraw/zinc/75/11/62/768751162.db2.gz FRGRYWFDVCGURR-KOLCDFICSA-N 0 2 310.291 1.960 20 30 DDEDLN Cc1ncc(CO)c(C(=O)Nc2cc(C#N)c(C#N)cc2N)c1O ZINC001147840490 773264232 /nfs/dbraw/zinc/26/42/32/773264232.db2.gz KFLGHQDKMSLHRE-UHFFFAOYSA-N 0 2 323.312 1.166 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCOCC)C1 ZINC001267943059 839233073 /nfs/dbraw/zinc/23/30/73/839233073.db2.gz YAWQQTOCOUTUIN-SJORKVTESA-N 0 2 321.465 1.091 20 30 DDEDLN C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001158806668 864914851 /nfs/dbraw/zinc/91/48/51/864914851.db2.gz NYRCFBVOZAFNIP-MRXNPFEDSA-N 0 2 304.438 1.852 20 30 DDEDLN C=C[C@H](COC)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC001320448069 866743681 /nfs/dbraw/zinc/74/36/81/866743681.db2.gz QDTZXMYXOHFXMJ-LLVKDONJSA-N 0 2 305.309 1.648 20 30 DDEDLN C#CCCCC(=O)NC[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001297743784 870166400 /nfs/dbraw/zinc/16/64/00/870166400.db2.gz DPZOUTBGLIZBCI-GXSJLCMTSA-N 0 2 310.291 1.559 20 30 DDEDLN C#CCCCC(=O)NC[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001297743784 870166410 /nfs/dbraw/zinc/16/64/10/870166410.db2.gz DPZOUTBGLIZBCI-GXSJLCMTSA-N 0 2 310.291 1.559 20 30 DDEDLN Cn1cnnc1COCC(=O)[C@H](C#N)c1nc2ccccc2o1 ZINC001346088412 873610136 /nfs/dbraw/zinc/61/01/36/873610136.db2.gz XCWDADMCNOUDQE-JTQLQIEISA-N 0 2 311.301 1.349 20 30 DDEDLN C=CCCC(=O)NC[C@@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC001356279184 878959100 /nfs/dbraw/zinc/95/91/00/878959100.db2.gz YJBPKMWSRHWPES-ONGXEEELSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCC(=O)NC[C@@H]1CCCN1C(=O)[C@H](F)C(F)(F)F ZINC001356279184 878959119 /nfs/dbraw/zinc/95/91/19/878959119.db2.gz YJBPKMWSRHWPES-ONGXEEELSA-N 0 2 310.291 1.960 20 30 DDEDLN Cc1ccc(CC[C@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)o1 ZINC001413881568 880576699 /nfs/dbraw/zinc/57/66/99/880576699.db2.gz PNCDYVSKYWTPTJ-VIFPVBQESA-N 0 2 302.334 1.280 20 30 DDEDLN CC[NH+](CC)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC#N)CC1 ZINC001230611500 884651700 /nfs/dbraw/zinc/65/17/00/884651700.db2.gz SWNACUSXGSYROK-MRXNPFEDSA-N 0 2 306.454 1.555 20 30 DDEDLN Cn1c(=O)[nH]c(N2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c(C#N)c1=O ZINC001364223395 888170454 /nfs/dbraw/zinc/17/04/54/888170454.db2.gz IRWWCXNMAMGSFD-NFAWXSAZSA-N 0 2 322.368 1.185 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1cc(Cl)ccc1F ZINC001364558063 888923411 /nfs/dbraw/zinc/92/34/11/888923411.db2.gz SNVWVVSWPRGQNV-SSDOTTSWSA-N 0 2 322.727 1.911 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1cccc(Cl)c1 ZINC001256840574 897596376 /nfs/dbraw/zinc/59/63/76/897596376.db2.gz NLZUXGNQZSSWCG-SNVBAGLBSA-N 0 2 302.739 1.074 20 30 DDEDLN O=C(CC(F)(F)F)N1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001389735714 897891322 /nfs/dbraw/zinc/89/13/22/897891322.db2.gz IRXRWJMHFLXDJO-SSDOTTSWSA-N 0 2 324.196 1.414 20 30 DDEDLN O=C(CC(F)(F)F)N1CC(CNC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001389735714 897891330 /nfs/dbraw/zinc/89/13/30/897891330.db2.gz IRXRWJMHFLXDJO-SSDOTTSWSA-N 0 2 324.196 1.414 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2F)CCC1=O ZINC001259467986 898684402 /nfs/dbraw/zinc/68/44/02/898684402.db2.gz ZLJIGDXOAQMKAX-QMMMGPOBSA-N 0 2 316.741 1.582 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cnc(C#N)cn2)cc1C ZINC001260632350 899190765 /nfs/dbraw/zinc/19/07/65/899190765.db2.gz RZDCXXBRMBCBQC-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN O=C(C#CC1CC1)N[C@@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001294903853 915451996 /nfs/dbraw/zinc/45/19/96/915451996.db2.gz QRKWNIUUSHPPGT-JQWIXIFHSA-N 0 2 320.286 1.311 20 30 DDEDLN O=C(C#CC1CC1)N[C@@H](CNC(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001294903853 915452006 /nfs/dbraw/zinc/45/20/06/915452006.db2.gz QRKWNIUUSHPPGT-JQWIXIFHSA-N 0 2 320.286 1.311 20 30 DDEDLN CCCCc1ccc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)cc1 ZINC000564968102 304030988 /nfs/dbraw/zinc/03/09/88/304030988.db2.gz YGKHJPASBTUYQD-UHFFFAOYSA-N 0 2 311.341 1.634 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)N3CCC3)cc2[nH]c1=S ZINC000073053632 353234565 /nfs/dbraw/zinc/23/45/65/353234565.db2.gz IXPILASTMMANHD-UHFFFAOYSA-N 0 2 301.371 1.717 20 30 DDEDLN Cc1[nH]nc(NC(=O)C2=NN(c3ccccc3)CC2=O)c1C#N ZINC000588719602 354931615 /nfs/dbraw/zinc/93/16/15/354931615.db2.gz QOBPEFGPSMUGKE-UHFFFAOYSA-N 0 2 308.301 1.733 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2cnn3c2OCCC3)cc1 ZINC000590597730 355126318 /nfs/dbraw/zinc/12/63/18/355126318.db2.gz WXLHLQUDDYXFHP-UHFFFAOYSA-N 0 2 304.331 1.338 20 30 DDEDLN C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000594419853 356204493 /nfs/dbraw/zinc/20/44/93/356204493.db2.gz AYCBCUIAWQVYDC-LLVKDONJSA-N 0 2 313.361 1.310 20 30 DDEDLN CC1=NN(c2ncc(Br)cn2)C(=O)[C@@H]1CCC#N ZINC000601933654 358743634 /nfs/dbraw/zinc/74/36/34/358743634.db2.gz FCIPZGWVBAEQOU-SECBINFHSA-N 0 2 308.139 1.882 20 30 DDEDLN N#CCN1CCC(NC(=O)c2cc(F)c(O)c(Cl)c2)CC1 ZINC000618454396 363637995 /nfs/dbraw/zinc/63/79/95/363637995.db2.gz LJDRTWOVSPFUAT-UHFFFAOYSA-N 0 2 311.744 1.902 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1O ZINC000566282391 304137676 /nfs/dbraw/zinc/13/76/76/304137676.db2.gz FLUQSKWMMGGLCO-LLVKDONJSA-N 0 2 313.317 1.107 20 30 DDEDLN N#Cc1nc(NC(=O)CCCNC(=O)c2ccccc2)[nH]c1C#N ZINC000026272195 248181919 /nfs/dbraw/zinc/18/19/19/248181919.db2.gz YHXFNFABBFNGGN-UHFFFAOYSA-N 0 2 322.328 1.302 20 30 DDEDLN CCNc1ccc(C#N)cc1NS(=O)(=O)c1cn(C)nc1C ZINC000340983767 251317690 /nfs/dbraw/zinc/31/76/90/251317690.db2.gz ROMHLUDDGQAHQY-UHFFFAOYSA-N 0 2 319.390 1.833 20 30 DDEDLN CC(C)C(=O)Nc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000047475591 407074559 /nfs/dbraw/zinc/07/45/59/407074559.db2.gz BJKWCRVICXHCPB-UHFFFAOYSA-N 0 2 322.328 2.000 20 30 DDEDLN CCOCCN(CC)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000107774888 407379472 /nfs/dbraw/zinc/37/94/72/407379472.db2.gz XTWZDNFMXAKGMP-UHFFFAOYSA-N 0 2 309.391 1.467 20 30 DDEDLN Cc1oc(-c2ccco2)nc1CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000130053925 407649128 /nfs/dbraw/zinc/64/91/28/407649128.db2.gz QCTAMNUZXCGZCA-UHFFFAOYSA-N 0 2 322.284 1.891 20 30 DDEDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1c[nH]c(C#N)c1 ZINC000180191552 407863469 /nfs/dbraw/zinc/86/34/69/407863469.db2.gz FIARLXMMWUYXHR-UHFFFAOYSA-N 0 2 313.342 1.457 20 30 DDEDLN Cc1cc(O)c(C(=O)C=Cc2cn(C)nc2C(C)(C)C)c(=O)o1 ZINC000180308296 407876638 /nfs/dbraw/zinc/87/66/38/407876638.db2.gz IFCYKGDJZUCXED-PSKZRQQASA-N 0 2 316.357 1.946 20 30 DDEDLN N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c(F)c1 ZINC000269420734 408303176 /nfs/dbraw/zinc/30/31/76/408303176.db2.gz LRAQGJFWGYNANK-HNNXBMFYSA-N 0 2 304.369 1.127 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2cncc(C#N)c2)c(O)c1 ZINC000314860514 164017020 /nfs/dbraw/zinc/01/70/20/164017020.db2.gz DTQWIQJYEIWGNF-UHFFFAOYSA-N 0 2 305.315 1.468 20 30 DDEDLN C[C@@H]1CC[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C[C@@H]1C ZINC000408493579 164349026 /nfs/dbraw/zinc/34/90/26/164349026.db2.gz MCCUIEMGNATCGQ-MDZLAQPJSA-N 0 2 321.402 1.830 20 30 DDEDLN C[C@@H]1CC[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)C[C@@H]1C ZINC000408493581 164349084 /nfs/dbraw/zinc/34/90/84/164349084.db2.gz MCCUIEMGNATCGQ-NTZNESFSSA-N 0 2 321.402 1.830 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@H]2CCCOC2)cc1C#N ZINC000356978452 409765919 /nfs/dbraw/zinc/76/59/19/409765919.db2.gz KHMGCWLIAQVUHE-UWVGGRQHSA-N 0 2 321.402 1.926 20 30 DDEDLN CC[C@H](C)[C@@H](O)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000349783074 409910032 /nfs/dbraw/zinc/91/00/32/409910032.db2.gz JCCXQIXNGXFJCN-KWQFWETISA-N 0 2 309.391 1.518 20 30 DDEDLN CC(C)(C)n1cc(NS(=O)(=O)c2cncc(C#N)c2)cn1 ZINC000357102097 409874229 /nfs/dbraw/zinc/87/42/29/409874229.db2.gz IIOAOVHEMFNKNK-UHFFFAOYSA-N 0 2 305.363 1.706 20 30 DDEDLN N#C[C@@H](C(=O)c1csc(-c2cnccn2)n1)c1ccncn1 ZINC000354467183 409875861 /nfs/dbraw/zinc/87/58/61/409875861.db2.gz NZWJUCPBDSFWFI-SECBINFHSA-N 0 2 308.326 1.880 20 30 DDEDLN N#CC(C(=O)c1csc(-c2cnccn2)n1)c1ccncn1 ZINC000354467183 409875866 /nfs/dbraw/zinc/87/58/66/409875866.db2.gz NZWJUCPBDSFWFI-SECBINFHSA-N 0 2 308.326 1.880 20 30 DDEDLN Cc1nc(CC2CC2)sc1C(=O)N=c1[nH][nH]c(C)c1C#N ZINC000357223767 409948663 /nfs/dbraw/zinc/94/86/63/409948663.db2.gz AKRUFZHUPDPFQT-UHFFFAOYSA-N 0 2 301.375 2.560 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2nnc(C(F)F)s2)c1 ZINC000357367549 409997747 /nfs/dbraw/zinc/99/77/47/409997747.db2.gz GIRIZXNWLKAQCS-UHFFFAOYSA-N 0 2 317.302 1.543 20 30 DDEDLN COCCc1ccnc(NS(=O)(=O)c2cncc(C#N)c2)c1 ZINC000357374121 409999105 /nfs/dbraw/zinc/99/91/05/409999105.db2.gz SGQWKRMVMLRCOA-UHFFFAOYSA-N 0 2 318.358 1.338 20 30 DDEDLN CSc1[n-]c(=O)c(C(=O)N[C@@H](C)Cn2cc[nH+]c2)cc1C#N ZINC000352571248 410667507 /nfs/dbraw/zinc/66/75/07/410667507.db2.gz SHZCUFMQPKLOND-VIFPVBQESA-N 0 2 317.374 1.396 20 30 DDEDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C#N)ccn1 ZINC000352860880 410682579 /nfs/dbraw/zinc/68/25/79/410682579.db2.gz ZKTHCGPRCCSBSD-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN C#Cc1cccc(NC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000366712780 418507533 /nfs/dbraw/zinc/50/75/33/418507533.db2.gz INGGMRZXSSQDCM-UHFFFAOYSA-N 0 2 311.345 1.903 20 30 DDEDLN CC[C@@H](C)/N=C1/NC(=O)[C@@H](CC(=O)NCC(F)(F)F)S1 ZINC000195215698 222193735 /nfs/dbraw/zinc/19/37/35/222193735.db2.gz GTXNTJBOYGSCIC-RNFRBKRXSA-N 0 2 311.329 1.441 20 30 DDEDLN N#Cc1ccnc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000353152978 418645700 /nfs/dbraw/zinc/64/57/00/418645700.db2.gz OPZZHZWNYHXNEF-UHFFFAOYSA-N 0 2 308.276 2.130 20 30 DDEDLN N#Cc1cc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)ccn1 ZINC000361676432 418698044 /nfs/dbraw/zinc/69/80/44/418698044.db2.gz YCNJBGDHIQQVIA-ZDUSSCGKSA-N 0 2 306.329 1.761 20 30 DDEDLN N#Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000361676432 418698046 /nfs/dbraw/zinc/69/80/46/418698046.db2.gz YCNJBGDHIQQVIA-ZDUSSCGKSA-N 0 2 306.329 1.761 20 30 DDEDLN N#Cc1cc(Sc2n[nH]c(=O)[nH]2)nc2ccc([N+](=O)[O-])cc12 ZINC000429336193 420004771 /nfs/dbraw/zinc/00/47/71/420004771.db2.gz UUYRBDWVLQPQDN-UHFFFAOYSA-N 0 2 314.286 1.990 20 30 DDEDLN N#Cc1ncn(CCNC(=O)c2cc(F)c(O)c(Cl)c2)n1 ZINC000436660509 420351013 /nfs/dbraw/zinc/35/10/13/420351013.db2.gz VOLYGXWCMJFQNR-UHFFFAOYSA-N 0 2 309.688 1.078 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2cc(C)n(C)n2)cc1C#N ZINC000440297980 420567264 /nfs/dbraw/zinc/56/72/64/420567264.db2.gz ZYDWIFCILVVKQW-UHFFFAOYSA-N 0 2 303.347 1.675 20 30 DDEDLN COc1ccc(OCC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1C ZINC000486939236 420993441 /nfs/dbraw/zinc/99/34/41/420993441.db2.gz IUZWUWIPJDBROD-UHFFFAOYSA-N 0 2 311.301 1.488 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H](C)C[C@H](C)O)cc1C#N ZINC000349756992 269816253 /nfs/dbraw/zinc/81/62/53/269816253.db2.gz IYYVKFYTVUNYTA-IUCAKERBSA-N 0 2 309.391 1.518 20 30 DDEDLN COC(=O)c1csc(NS(=O)(=O)c2ccc(C#N)nc2)c1 ZINC000531600402 421639414 /nfs/dbraw/zinc/63/94/14/421639414.db2.gz OFUCBAOEQVAQNJ-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC[C@@H]2CCOC2)cc1C#N ZINC000541527222 421796114 /nfs/dbraw/zinc/79/61/14/421796114.db2.gz ROYVDTUCMAWUOU-SECBINFHSA-N 0 2 307.375 1.537 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cccnc2N(C)C)cc1C#N ZINC000395684845 267652309 /nfs/dbraw/zinc/65/23/09/267652309.db2.gz BZCVJXWOEPROGM-UHFFFAOYSA-N 0 2 317.374 1.524 20 30 DDEDLN Cc1nc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)ccc1C#N ZINC000329184961 279066002 /nfs/dbraw/zinc/06/60/02/279066002.db2.gz PIIBWUCONWYRHC-GFCCVEGCSA-N 0 2 312.333 1.453 20 30 DDEDLN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(O)c1 ZINC000134603985 281549777 /nfs/dbraw/zinc/54/97/77/281549777.db2.gz XYCXMMSKWFRTNM-UHFFFAOYSA-N 0 2 319.298 1.973 20 30 DDEDLN N#C[C@H]1CSCCN1C(=O)c1cc(F)c(F)c(O)c1F ZINC000273452507 303171359 /nfs/dbraw/zinc/17/13/59/303171359.db2.gz CPBBJRKRXVQMNU-LURJTMIESA-N 0 2 302.277 1.891 20 30 DDEDLN C#CCN(CC#C)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194242920 340590339 /nfs/dbraw/zinc/59/03/39/340590339.db2.gz GMLFPCNDOSUYQG-UHFFFAOYSA-N 0 2 313.744 1.940 20 30 DDEDLN Cc1cc(C(O)=C(C#N)C(=O)NC2CC2)c(C)n1[C@H]1CCOC1 ZINC000528921680 340739267 /nfs/dbraw/zinc/73/92/67/340739267.db2.gz VZOUXWNHEUXCPD-ZFWWWQNUSA-N 0 2 315.373 1.667 20 30 DDEDLN Cc1ccc2c(=O)c(C(=O)NC[C@@]3(O)CCSC3)c[nH]c2n1 ZINC000330059374 534396429 /nfs/dbraw/zinc/39/64/29/534396429.db2.gz KVTAHFXFAZAKGH-HNNXBMFYSA-N 0 2 319.386 1.816 20 30 DDEDLN Cc1ccc2c(=O)c(C(=O)NC[C@]3(O)CCSC3)c[nH]c2n1 ZINC000330059375 534397365 /nfs/dbraw/zinc/39/73/65/534397365.db2.gz KVTAHFXFAZAKGH-OAHLLOKOSA-N 0 2 319.386 1.816 20 30 DDEDLN Cc1nn(C)c2nc(C)cc(C(=O)[C@H](C#N)c3ccncn3)c12 ZINC000354463963 534828177 /nfs/dbraw/zinc/82/81/77/534828177.db2.gz JSUYOTMLIUYXQT-GFCCVEGCSA-N 0 2 306.329 1.865 20 30 DDEDLN C=CC[C@H](Cc1ccccc1)NC(=O)CSc1n[nH]c(=O)[nH]1 ZINC000412838216 527214581 /nfs/dbraw/zinc/21/45/81/527214581.db2.gz JNUKSPZJZZUDOL-GFCCVEGCSA-N 0 2 318.402 1.906 20 30 DDEDLN C#C[C@@H](NS(=O)(=O)NCC(F)(F)F)c1ccc(F)cc1 ZINC000491728935 527292510 /nfs/dbraw/zinc/29/25/10/527292510.db2.gz MTQYAWSBWUWJNW-SNVBAGLBSA-N 0 2 310.272 1.486 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(N(C)C)cc1 ZINC001120836550 782175337 /nfs/dbraw/zinc/17/53/37/782175337.db2.gz NYUQQPTYODFIHB-SNVBAGLBSA-N 0 2 313.361 1.184 20 30 DDEDLN C[C@@H](C(=O)[O-])[N@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000817772047 597492699 /nfs/dbraw/zinc/49/26/99/597492699.db2.gz GSNKTMKOSMVWPZ-NSHDSACASA-N 0 2 323.780 1.992 20 30 DDEDLN C[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000817772047 597492700 /nfs/dbraw/zinc/49/27/00/597492700.db2.gz GSNKTMKOSMVWPZ-NSHDSACASA-N 0 2 323.780 1.992 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000827882599 603847456 /nfs/dbraw/zinc/84/74/56/603847456.db2.gz PNUGYUIWLCPYEE-ZDUSSCGKSA-N 0 2 302.334 1.181 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000827882599 603847459 /nfs/dbraw/zinc/84/74/59/603847459.db2.gz PNUGYUIWLCPYEE-ZDUSSCGKSA-N 0 2 302.334 1.181 20 30 DDEDLN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738614911 604368432 /nfs/dbraw/zinc/36/84/32/604368432.db2.gz CTKPYVKSUONPQJ-NWDGAFQWSA-N 0 2 308.382 1.059 20 30 DDEDLN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](NC(=O)[O-])C1 ZINC000738614911 604368437 /nfs/dbraw/zinc/36/84/37/604368437.db2.gz CTKPYVKSUONPQJ-NWDGAFQWSA-N 0 2 308.382 1.059 20 30 DDEDLN C=CCOc1ccc(C[N@@H+]2CCO[C@H](CC(=O)[O-])C2)cc1OC ZINC000833377686 604652129 /nfs/dbraw/zinc/65/21/29/604652129.db2.gz IOSFZFOPXDYWJF-CQSZACIVSA-N 0 2 321.373 1.936 20 30 DDEDLN C=CCOc1ccc(C[N@H+]2CCO[C@H](CC(=O)[O-])C2)cc1OC ZINC000833377686 604652133 /nfs/dbraw/zinc/65/21/33/604652133.db2.gz IOSFZFOPXDYWJF-CQSZACIVSA-N 0 2 321.373 1.936 20 30 DDEDLN CCOc1ccc(NC(=O)CC2S/C(=N/C)N(C)C2=O)cc1 ZINC000101613925 696608125 /nfs/dbraw/zinc/60/81/25/696608125.db2.gz AXDOGRGAWDHGIT-VVLLMFOMSA-N 0 2 321.402 1.974 20 30 DDEDLN C#CCOc1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1 ZINC000108250162 696633201 /nfs/dbraw/zinc/63/32/01/696633201.db2.gz BFJYNQJDKAOLQJ-UHFFFAOYSA-N 0 2 305.359 1.839 20 30 DDEDLN CCn1c(=O)c2ccc(C(=O)NC3(C#N)CC3)cc2[nH]c1=S ZINC000160730993 697319759 /nfs/dbraw/zinc/31/97/59/697319759.db2.gz JNZGJDSILMIJID-UHFFFAOYSA-N 0 2 314.370 1.491 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1N[NH2+]C1=CC(=O)N2CCCC[C@H]12 ZINC000799482387 700144047 /nfs/dbraw/zinc/14/40/47/700144047.db2.gz LORNORUTDCVNFF-CYBMUJFWSA-N 0 2 317.345 1.946 20 30 DDEDLN CC(=O)c1ccccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000164967783 697338125 /nfs/dbraw/zinc/33/81/25/697338125.db2.gz KZNIIXUPXXEHMC-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN Cn1ncc2c1nc(N=NCCCc1ccc(C#N)cc1)[nH]c2=O ZINC000774384161 697874243 /nfs/dbraw/zinc/87/42/43/697874243.db2.gz CLOBDSCMJYTRPZ-UHFFFAOYSA-N 0 2 321.344 1.971 20 30 DDEDLN Nc1nc(Cl)cc(N=NCc2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000778546975 698346922 /nfs/dbraw/zinc/34/69/22/698346922.db2.gz SDWPXTYVIYVPQP-UHFFFAOYSA-N 0 2 308.685 1.772 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(C=NN[C@H](CO)c2ccccc2)c1 ZINC000788467626 699316135 /nfs/dbraw/zinc/31/61/35/699316135.db2.gz KFHWZMZPDUVQQJ-CQSZACIVSA-N 0 2 301.302 1.958 20 30 DDEDLN C#CCOc1cccc(NS(=O)(=O)c2cnn(C)c2C)c1 ZINC000793392259 699753551 /nfs/dbraw/zinc/75/35/51/699753551.db2.gz HLLPUBHREBYZEK-UHFFFAOYSA-N 0 2 305.359 1.541 20 30 DDEDLN N#CC(C(=O)C1=COCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000744026139 699933046 /nfs/dbraw/zinc/93/30/46/699933046.db2.gz JZVIINOQTGITSD-GFCCVEGCSA-N 0 2 322.328 1.678 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)CCn2ccnn2)n1 ZINC000802056382 700364736 /nfs/dbraw/zinc/36/47/36/700364736.db2.gz LXTMFHBLDRPHKA-VIFPVBQESA-N 0 2 319.346 1.178 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)CCn2ccnn2)n1 ZINC000802056382 700364740 /nfs/dbraw/zinc/36/47/40/700364740.db2.gz LXTMFHBLDRPHKA-VIFPVBQESA-N 0 2 319.346 1.178 20 30 DDEDLN C#CCOc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1 ZINC000808089523 701496906 /nfs/dbraw/zinc/49/69/06/701496906.db2.gz NVWQOUZCTZVNSY-UHFFFAOYSA-N 0 2 305.359 1.541 20 30 DDEDLN CC(=NNC1=[NH+]CCN1)c1cc(Br)cc(F)c1[O-] ZINC000841660808 702522611 /nfs/dbraw/zinc/52/26/11/702522611.db2.gz JMVJCRIDCJMQDX-UHFFFAOYSA-N 0 2 315.146 1.567 20 30 DDEDLN N#CC(C(=O)[C@@H]1CCCN(C(N)=O)C1)c1nc(C2CC2)cs1 ZINC000842938472 702792400 /nfs/dbraw/zinc/79/24/00/702792400.db2.gz JWMRGASAXFJPGJ-MNOVXSKESA-N 0 2 318.402 1.987 20 30 DDEDLN N#C[C@@H](C(=O)[C@@H]1CCCN(C(N)=O)C1)c1nc(C2CC2)cs1 ZINC000842938472 702792401 /nfs/dbraw/zinc/79/24/01/702792401.db2.gz JWMRGASAXFJPGJ-MNOVXSKESA-N 0 2 318.402 1.987 20 30 DDEDLN CC(=NNCCCn1cc[nH+]c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000848418956 703548377 /nfs/dbraw/zinc/54/83/77/703548377.db2.gz SWHUMRUAGSGGCK-UHFFFAOYSA-N 0 2 303.322 1.901 20 30 DDEDLN CCCCCCCS(=O)(=O)NCc1nnc(COC)[nH]1 ZINC000849437863 703648176 /nfs/dbraw/zinc/64/81/76/703648176.db2.gz LVCYQLOGBQWULM-UHFFFAOYSA-N 0 2 304.416 1.341 20 30 DDEDLN N#CC(C(=O)NCc1ccccc1)=C([O-])c1c[nH+]c2n1CCC2 ZINC000850757349 703750240 /nfs/dbraw/zinc/75/02/40/703750240.db2.gz JJRUGEWJFLZHMF-ZDUSSCGKSA-N 0 2 308.341 1.468 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@@H]1Cc2ccccc2O1 ZINC000870242396 703970939 /nfs/dbraw/zinc/97/09/39/703970939.db2.gz BTLYCWUBWSQFLF-QWHCGFSZSA-N 0 2 309.325 1.705 20 30 DDEDLN C=CCCONC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000856028388 704510083 /nfs/dbraw/zinc/51/00/83/704510083.db2.gz HGYOAKJUYGWJFI-JTQLQIEISA-N 0 2 313.379 1.667 20 30 DDEDLN C=CCCONC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000856030102 704510210 /nfs/dbraw/zinc/51/02/10/704510210.db2.gz PBFXCFCBHLBIPS-UHFFFAOYSA-N 0 2 319.386 1.943 20 30 DDEDLN CC[C@@](C)(C#N)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000858982327 704779795 /nfs/dbraw/zinc/77/97/95/704779795.db2.gz ZUCQXVLPJFFHSH-LBPRGKRZSA-N 0 2 317.267 1.880 20 30 DDEDLN Cn1cc(S(=O)(=O)Nc2ccc(C3CC3)c(C#N)c2)cn1 ZINC000882793252 707798571 /nfs/dbraw/zinc/79/85/71/707798571.db2.gz QEJPPEUJTSKBNA-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN C=CCCC[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(=O)[O-] ZINC000910916986 710118583 /nfs/dbraw/zinc/11/85/83/710118583.db2.gz KVHBLZQYHBCKJK-ZDUSSCGKSA-N 0 2 314.345 1.807 20 30 DDEDLN C#CCCCS(=O)(=O)Nc1nn(CC)cc1C(=O)OCC ZINC000903674296 711242624 /nfs/dbraw/zinc/24/26/24/711242624.db2.gz BFUAFSKHWJQIJW-UHFFFAOYSA-N 0 2 313.379 1.235 20 30 DDEDLN C=CCN(CC(=O)[O-])C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000908846464 712868025 /nfs/dbraw/zinc/86/80/25/712868025.db2.gz OQWCENVRMXBTLE-UHFFFAOYSA-N 0 2 306.366 1.044 20 30 DDEDLN C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)C(F)C(F)(F)F ZINC001067598997 735314160 /nfs/dbraw/zinc/31/41/60/735314160.db2.gz KUHVWOVFIUOYNA-IUCAKERBSA-N 0 2 311.279 1.353 20 30 DDEDLN C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001067598997 735314163 /nfs/dbraw/zinc/31/41/63/735314163.db2.gz KUHVWOVFIUOYNA-IUCAKERBSA-N 0 2 311.279 1.353 20 30 DDEDLN CSc1ncc(O)c(C(=O)Nc2cc(C#N)cnc2C)n1 ZINC001185165528 744168919 /nfs/dbraw/zinc/16/89/19/744168919.db2.gz AMGCECDPBAVKTA-UHFFFAOYSA-N 0 2 301.331 1.732 20 30 DDEDLN C[C@@H](C#N)S(=O)(=O)Nc1cccc2c1NC(=O)CC2(C)C ZINC001193162204 746003854 /nfs/dbraw/zinc/00/38/54/746003854.db2.gz WGPTXTNCHACGDS-VIFPVBQESA-N 0 2 307.375 1.960 20 30 DDEDLN N#Cc1nccnc1NC/C=C\CNC(=O)C(F)C(F)(F)F ZINC001107560927 750139729 /nfs/dbraw/zinc/13/97/29/750139729.db2.gz FRNOPDCRTUURLJ-JKERVTFKSA-N 0 2 317.246 1.333 20 30 DDEDLN N#Cc1nccnc1NC/C=C\CNC(=O)[C@@H](F)C(F)(F)F ZINC001107560927 750139732 /nfs/dbraw/zinc/13/97/32/750139732.db2.gz FRNOPDCRTUURLJ-JKERVTFKSA-N 0 2 317.246 1.333 20 30 DDEDLN Cc1cc(N[C@@H](C)CNC(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001098327147 762033459 /nfs/dbraw/zinc/03/34/59/762033459.db2.gz BWLOKDBALYJDHY-GZMMTYOYSA-N 0 2 318.274 1.501 20 30 DDEDLN Cc1cc(N[C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F)c(C#N)cn1 ZINC001098327147 762033467 /nfs/dbraw/zinc/03/34/67/762033467.db2.gz BWLOKDBALYJDHY-GZMMTYOYSA-N 0 2 318.274 1.501 20 30 DDEDLN C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc(C)c3[O-])CC[C@H]21 ZINC001036691438 753410738 /nfs/dbraw/zinc/41/07/38/753410738.db2.gz OYIAOUVNOPOYJN-VXGBXAGGSA-N 0 2 324.812 1.713 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc(C)c3[O-])CC[C@H]21 ZINC001036691438 753410743 /nfs/dbraw/zinc/41/07/43/753410743.db2.gz OYIAOUVNOPOYJN-VXGBXAGGSA-N 0 2 324.812 1.713 20 30 DDEDLN O=C(C#CC1CC1)NCC1(NC(=O)C(F)C(F)(F)F)CCC1 ZINC001062979185 753889797 /nfs/dbraw/zinc/88/97/97/753889797.db2.gz OBUACKKHSBBVBY-LLVKDONJSA-N 0 2 320.286 1.455 20 30 DDEDLN O=C(C#CC1CC1)NCC1(NC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001062979185 753889805 /nfs/dbraw/zinc/88/98/05/753889805.db2.gz OBUACKKHSBBVBY-LLVKDONJSA-N 0 2 320.286 1.455 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ncccc1C#N ZINC001113933806 766423276 /nfs/dbraw/zinc/42/32/76/766423276.db2.gz DDALGOFSIUWHRT-WPRPVWTQSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1ncccc1C#N ZINC001113933806 766423281 /nfs/dbraw/zinc/42/32/81/766423281.db2.gz DDALGOFSIUWHRT-WPRPVWTQSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccnc(C#N)n1 ZINC001113933766 766423416 /nfs/dbraw/zinc/42/34/16/766423416.db2.gz CIWQOZWJZCKEFL-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1ccnc(C#N)n1 ZINC001113933766 766423422 /nfs/dbraw/zinc/42/34/22/766423422.db2.gz CIWQOZWJZCKEFL-OIBJUYFYSA-N 0 2 319.262 1.190 20 30 DDEDLN O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001070707566 768685711 /nfs/dbraw/zinc/68/57/11/768685711.db2.gz ATJHDWCBFQYXPN-ZYHUDNBSSA-N 0 2 320.286 1.407 20 30 DDEDLN O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001070707566 768685718 /nfs/dbraw/zinc/68/57/18/768685718.db2.gz ATJHDWCBFQYXPN-ZYHUDNBSSA-N 0 2 320.286 1.407 20 30 DDEDLN C=C(Cl)C[N@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@@H]1C ZINC001071440055 769435127 /nfs/dbraw/zinc/43/51/27/769435127.db2.gz MTYXUKPYAHSDKM-GXSJLCMTSA-N 0 2 312.801 1.759 20 30 DDEDLN C=C(Cl)C[N@@H+]1C[C@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@@H]1C ZINC001071440055 769435130 /nfs/dbraw/zinc/43/51/30/769435130.db2.gz MTYXUKPYAHSDKM-GXSJLCMTSA-N 0 2 312.801 1.759 20 30 DDEDLN CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446069 770843911 /nfs/dbraw/zinc/84/39/11/770843911.db2.gz GRHVNUHMXOLCJB-LSDHHAIUSA-N 0 2 300.406 1.431 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1cccc(-n2cnnc2)c1 ZINC001177896948 778775676 /nfs/dbraw/zinc/77/56/76/778775676.db2.gz DAPXYIRMLRPROK-UHFFFAOYSA-N 0 2 320.312 1.800 20 30 DDEDLN C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001034401917 848469031 /nfs/dbraw/zinc/46/90/31/848469031.db2.gz WXNRZOYAJNYCKZ-UONOGXRCSA-N 0 2 302.422 1.986 20 30 DDEDLN Cc1cc(C(N)=O)ccc1NC(=O)c1[nH]c(=O)c(C#N)cc1C ZINC001411724974 853638381 /nfs/dbraw/zinc/63/83/81/853638381.db2.gz YCGKAFGVSIQGLX-UHFFFAOYSA-N 0 2 310.313 1.627 20 30 DDEDLN C[C@@H](Cc1cccs1)N(C)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001412869346 855742688 /nfs/dbraw/zinc/74/26/88/855742688.db2.gz GTGNCADKOBPYKA-VIFPVBQESA-N 0 2 304.375 1.074 20 30 DDEDLN N#Cc1cccc(NC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC001413505571 856901935 /nfs/dbraw/zinc/90/19/35/856901935.db2.gz JYXWEKZQXVXQAE-NSHDSACASA-N 0 2 312.333 1.793 20 30 DDEDLN N#Cc1cnc(NC(=O)c2cc(=O)c3cccc(O)c3[nH]2)cn1 ZINC001152668981 863483659 /nfs/dbraw/zinc/48/36/59/863483659.db2.gz DIVQSURVHNBPIR-UHFFFAOYSA-N 0 2 307.269 1.560 20 30 DDEDLN N#Cc1ccc(NC(=O)c2cnc3cccnc3c2O)c(C#N)c1 ZINC001153861000 864168257 /nfs/dbraw/zinc/16/82/57/864168257.db2.gz TXECMPHDHUWYTM-UHFFFAOYSA-N 0 2 315.292 1.919 20 30 DDEDLN N#Cc1cccc(C2(C(=O)NOCCN3CCCC3=O)CC2)c1 ZINC001331278516 864985014 /nfs/dbraw/zinc/98/50/14/864985014.db2.gz BHILKZJLDRNTME-UHFFFAOYSA-N 0 2 313.357 1.260 20 30 DDEDLN C=CCO[C@@H]1CCN(c2nnc(-c3n[nH]c(Cl)n3)n2C)C1 ZINC001338059496 869774111 /nfs/dbraw/zinc/77/41/11/869774111.db2.gz MACMLPGSQVGVTM-MRVPVSSYSA-N 0 2 309.761 1.035 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@@H](CF)C1 ZINC001340732163 871314955 /nfs/dbraw/zinc/31/49/55/871314955.db2.gz CGQZQVPLCQVEFN-QMMMGPOBSA-N 0 2 311.752 1.698 20 30 DDEDLN CCn1ccnc1[C@@H](C#N)C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001349703032 875314282 /nfs/dbraw/zinc/31/42/82/875314282.db2.gz UWTKQNQLEQTRNO-GUYCJALGSA-N 0 2 314.389 1.776 20 30 DDEDLN CC#CCCCC(=O)N(C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001358745174 880845652 /nfs/dbraw/zinc/84/56/52/880845652.db2.gz GZSAVGIMTKPQMR-GFCCVEGCSA-N 0 2 322.302 1.750 20 30 DDEDLN CC#CCCCC(=O)N(C)C1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001358745174 880845661 /nfs/dbraw/zinc/84/56/61/880845661.db2.gz GZSAVGIMTKPQMR-GFCCVEGCSA-N 0 2 322.302 1.750 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2cnn(C)c2C)cc1C#N ZINC001362468267 883881508 /nfs/dbraw/zinc/88/15/08/883881508.db2.gz XGVSQHWTGISUDI-UHFFFAOYSA-N 0 2 303.347 1.675 20 30 DDEDLN O=C1C=C[C@H](Oc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)C1 ZINC001229617326 884079961 /nfs/dbraw/zinc/07/99/61/884079961.db2.gz OJPJXWSSZFQSHP-STQMWFEESA-N 0 2 303.339 1.857 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)N1C[C@@H](CO)Cc2ccccc21 ZINC001362740232 884522707 /nfs/dbraw/zinc/52/27/07/884522707.db2.gz OQJCIBXGYJGBMY-LBPRGKRZSA-N 0 2 323.352 1.779 20 30 DDEDLN N#Cc1c[nH]c(=O)n(CC(=O)c2c(Cl)cccc2Cl)c1=O ZINC001363763420 887162406 /nfs/dbraw/zinc/16/24/06/887162406.db2.gz TZEORPXQDAOQJN-UHFFFAOYSA-N 0 2 324.123 1.598 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2ccc(F)cc2Br)c1=O ZINC001364614543 889037752 /nfs/dbraw/zinc/03/77/52/889037752.db2.gz DZZBBHDSYQPBOD-UHFFFAOYSA-N 0 2 324.109 1.358 20 30 DDEDLN CC(C)S(=O)(=O)Nc1cc(Br)cnc1C#N ZINC001252426872 895136779 /nfs/dbraw/zinc/13/67/79/895136779.db2.gz HAUHKLOGAWCKGL-UHFFFAOYSA-N 0 2 304.169 1.866 20 30 DDEDLN COc1cc(F)ncc1NS(=O)(=O)c1cccc(C#N)c1 ZINC001259118921 898475907 /nfs/dbraw/zinc/47/59/07/898475907.db2.gz WYOLGPCDLZBOEV-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN N#Cc1cnc2ccnn2c1NS(=O)(=O)CC1CCCCC1 ZINC001259614238 898745404 /nfs/dbraw/zinc/74/54/04/898745404.db2.gz UVDMSOIFGSHKPE-UHFFFAOYSA-N 0 2 319.390 1.923 20 30 DDEDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(O)c(C#N)c1 ZINC001260111997 899061894 /nfs/dbraw/zinc/06/18/94/899061894.db2.gz WGKBLAMNDFJNEI-UHFFFAOYSA-N 0 2 306.347 1.415 20 30 DDEDLN COCC#CC[NH2+][C@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC001265943580 902636457 /nfs/dbraw/zinc/63/64/57/902636457.db2.gz YCXXVOLBLJEQBX-ZDUSSCGKSA-N 0 2 312.373 1.017 20 30 DDEDLN CC#CCCCC(=O)N[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001284256881 908737797 /nfs/dbraw/zinc/73/77/97/908737797.db2.gz QOKUDQHAQJCHEK-KOLCDFICSA-N 0 2 310.291 1.701 20 30 DDEDLN CC#CCCCC(=O)N[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001284256881 908737811 /nfs/dbraw/zinc/73/78/11/908737811.db2.gz QOKUDQHAQJCHEK-KOLCDFICSA-N 0 2 310.291 1.701 20 30 DDEDLN C=C[C@H](CC)CC(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001284913877 909723667 /nfs/dbraw/zinc/72/36/67/909723667.db2.gz SLHZHYURUKSSDY-KCJUWKMLSA-N 0 2 310.291 1.816 20 30 DDEDLN C=C[C@H](CC)CC(=O)N1CC(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001284913877 909723682 /nfs/dbraw/zinc/72/36/82/909723682.db2.gz SLHZHYURUKSSDY-KCJUWKMLSA-N 0 2 310.291 1.816 20 30 DDEDLN N#Cc1cccnc1N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000278756981 214379531 /nfs/dbraw/zinc/37/95/31/214379531.db2.gz WBPTWKNQVRMCMI-SNVBAGLBSA-N 0 2 316.258 1.502 20 30 DDEDLN N#Cc1cccnc1N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000278756981 214379534 /nfs/dbraw/zinc/37/95/34/214379534.db2.gz WBPTWKNQVRMCMI-SNVBAGLBSA-N 0 2 316.258 1.502 20 30 DDEDLN Cc1cc(C(=O)NCC(C)(C)CC#N)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000457994094 232169671 /nfs/dbraw/zinc/16/96/71/232169671.db2.gz NVAOXKXAQAQGDX-UHFFFAOYSA-N 0 2 315.333 1.414 20 30 DDEDLN CC(C)C/N=C1\NC(=O)[C@H](CC(=O)NCc2ccccc2)S1 ZINC000021883894 352174679 /nfs/dbraw/zinc/17/46/79/352174679.db2.gz WLRZYNIODYFSJN-ZDUSSCGKSA-N 0 2 319.430 1.937 20 30 DDEDLN N#Cc1nc(NC(=O)CSc2nc3ccccc3[nH]2)[nH]c1C#N ZINC000153483578 354198793 /nfs/dbraw/zinc/19/87/93/354198793.db2.gz VXIGZYXZTIWZNT-UHFFFAOYSA-N 0 2 323.341 1.760 20 30 DDEDLN CC(C)C[C@H](CNc1[nH+]cnc2c1cnn2CCC#N)C(=O)[O-] ZINC000591687109 355362607 /nfs/dbraw/zinc/36/26/07/355362607.db2.gz BWQPVTYNXSTOFD-LLVKDONJSA-N 0 2 316.365 1.899 20 30 DDEDLN N#Cc1cc(O)cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1 ZINC000592797207 355695826 /nfs/dbraw/zinc/69/58/26/355695826.db2.gz XYBXDEBYYPVWBI-JTQLQIEISA-N 0 2 313.317 1.107 20 30 DDEDLN Cc1cccc2c1[nH]cc(C(=O)N1CC[C@](O)(CC#N)C1)c2=O ZINC000592950217 355749308 /nfs/dbraw/zinc/74/93/08/355749308.db2.gz QXRPVABUYWJMAB-QGZVFWFLSA-N 0 2 311.341 1.327 20 30 DDEDLN CC[C@H](C#N)C(=O)N[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 ZINC000593443832 355886637 /nfs/dbraw/zinc/88/66/37/355886637.db2.gz ISTKPKRIEOEIJT-PWSUYJOCSA-N 0 2 317.345 1.943 20 30 DDEDLN C[C@H](COCC(=O)Nc1nc(C#N)c(C#N)[nH]1)c1ccccc1 ZINC000593893927 356045481 /nfs/dbraw/zinc/04/54/81/356045481.db2.gz OWNAYEYGZWNBLX-LLVKDONJSA-N 0 2 309.329 1.912 20 30 DDEDLN CC(C)(C)OC(=O)CCCCC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000594420338 356204930 /nfs/dbraw/zinc/20/49/30/356204930.db2.gz JWXZVULUAGVCRO-UHFFFAOYSA-N 0 2 317.349 1.994 20 30 DDEDLN N#CCN1CCC[C@H](CNC(=O)c2c(O)cc(F)cc2F)C1 ZINC000610486136 360448103 /nfs/dbraw/zinc/44/81/03/360448103.db2.gz RENNIOVNKCEWDP-SNVBAGLBSA-N 0 2 309.316 1.636 20 30 DDEDLN Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)C2 ZINC000175292849 408097292 /nfs/dbraw/zinc/09/72/92/408097292.db2.gz XOQRPLXVXXDVLL-CQSZACIVSA-N 0 2 307.313 1.712 20 30 DDEDLN C=CCNC(=O)c1ccc(NS(=O)(=O)c2c[nH]nc2C)cc1 ZINC000119896676 408111937 /nfs/dbraw/zinc/11/19/37/408111937.db2.gz RVPIMGWDOZYVHE-UHFFFAOYSA-N 0 2 320.374 1.435 20 30 DDEDLN N#Cc1nc(NC(=O)C2CCN(CC(F)F)CC2)[nH]c1C#N ZINC000287621826 409066469 /nfs/dbraw/zinc/06/64/69/409066469.db2.gz PPWRPUZOXNZAEJ-UHFFFAOYSA-N 0 2 308.292 1.069 20 30 DDEDLN Cc1noc(C2CC2)c1NS(=O)(=O)c1cncc(C#N)c1 ZINC000357088473 409861436 /nfs/dbraw/zinc/86/14/36/409861436.db2.gz XFKBCOYMCZJQIQ-UHFFFAOYSA-N 0 2 304.331 1.928 20 30 DDEDLN COc1c2cnn(C)c2ncc1C(=O)[C@H](C#N)c1ccncn1 ZINC000354466000 409877357 /nfs/dbraw/zinc/87/73/57/409877357.db2.gz JTBQQMIWPFAIGF-SECBINFHSA-N 0 2 308.301 1.257 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1C#N ZINC000357246295 409953188 /nfs/dbraw/zinc/95/31/88/409953188.db2.gz SEJZJMXQZJFYIN-OAHLLOKOSA-N 0 2 317.349 1.790 20 30 DDEDLN C=CCCC1(C(=O)Nc2nnc(NS(C)(=O)=O)s2)CC1 ZINC000355039941 410258165 /nfs/dbraw/zinc/25/81/65/410258165.db2.gz PPQYNERZQSNTDJ-UHFFFAOYSA-N 0 2 316.408 1.595 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1C#N ZINC000359400890 410640968 /nfs/dbraw/zinc/64/09/68/410640968.db2.gz DOCAKDWUBAZUIV-MWLCHTKSSA-N 0 2 321.402 1.662 20 30 DDEDLN CC(C)(C#N)c1ccc(C(=O)NCCCc2n[nH]c(=O)[nH]2)cc1 ZINC000359638464 410786031 /nfs/dbraw/zinc/78/60/31/410786031.db2.gz JFDNXCJLAGEYIT-UHFFFAOYSA-N 0 2 313.361 1.674 20 30 DDEDLN C=CCNC(=O)[C@H](C)[N@@H+](C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367117210 418561292 /nfs/dbraw/zinc/56/12/92/418561292.db2.gz MJNUNDUBGUWLDK-HNNXBMFYSA-N 0 2 316.449 1.669 20 30 DDEDLN CN1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)Cc2ccccc21 ZINC000368162475 418698181 /nfs/dbraw/zinc/69/81/81/418698181.db2.gz QPMTZEBZMJFWET-NSHDSACASA-N 0 2 306.329 1.400 20 30 DDEDLN COc1cc(OC2CC2)ccc1C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000361737853 418704044 /nfs/dbraw/zinc/70/40/44/418704044.db2.gz PPIQGFPDNPBZAE-UHFFFAOYSA-N 0 2 323.312 1.955 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1nnc(CCC(=O)OC)s1 ZINC000427745484 419724880 /nfs/dbraw/zinc/72/48/80/419724880.db2.gz CXIWWJPMPOYBLF-UHFFFAOYSA-N 0 2 319.408 1.352 20 30 DDEDLN N#Cc1ccc(C(=O)N[C@@H](c2nnc[nH]2)c2ccccc2)cc1O ZINC000442827580 420722852 /nfs/dbraw/zinc/72/28/52/420722852.db2.gz ZLGDIKQGOWBIDW-OAHLLOKOSA-N 0 2 319.324 1.901 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1noc(C(C)C)n1 ZINC000547335424 421324059 /nfs/dbraw/zinc/32/40/59/421324059.db2.gz WQMLDDUUIPGBRL-UHFFFAOYSA-N 0 2 322.346 1.874 20 30 DDEDLN Cc1cc(S(=O)(=O)Nc2ncc(C#N)s2)ccc1C#N ZINC000618602861 422527169 /nfs/dbraw/zinc/52/71/69/422527169.db2.gz RDVTUJZABOZLTH-UHFFFAOYSA-N 0 2 304.356 1.996 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)[nH]c32)cn1 ZINC000357347329 268208274 /nfs/dbraw/zinc/20/82/74/268208274.db2.gz ZMOWJUOFLUXAIK-UHFFFAOYSA-N 0 2 315.314 1.336 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CCC[C@H]2O)cc1C#N ZINC000341790786 271214763 /nfs/dbraw/zinc/21/47/63/271214763.db2.gz PJIUMJDYBKLJEX-WDEREUQCSA-N 0 2 307.375 1.366 20 30 DDEDLN CC[C@@H](C[C@@H](C)CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000345063191 272164806 /nfs/dbraw/zinc/16/48/06/272164806.db2.gz ULKLEWZWRUNTDC-KOLCDFICSA-N 0 2 323.418 1.908 20 30 DDEDLN N#Cc1c(Cl)nsc1N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000370747597 301383478 /nfs/dbraw/zinc/38/34/78/301383478.db2.gz CUGVMBGCCISFOW-ZCFIWIBFSA-N 0 2 310.770 1.876 20 30 DDEDLN N#Cc1nc(NC(=O)c2cncc(Br)c2)[nH]c1C#N ZINC000026273442 303216981 /nfs/dbraw/zinc/21/69/81/303216981.db2.gz YISMIZAXBDEJTQ-UHFFFAOYSA-N 0 2 317.106 1.563 20 30 DDEDLN N#CCc1ccnc(NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)c1 ZINC000532179848 335911118 /nfs/dbraw/zinc/91/11/18/335911118.db2.gz JAGRVUGDEDAACN-UHFFFAOYSA-N 0 2 322.284 1.149 20 30 DDEDLN CO[C@@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000528968901 340741241 /nfs/dbraw/zinc/74/12/41/340741241.db2.gz PBDRMIPXXLPDHN-SWLSCSKDSA-N 0 2 315.304 1.838 20 30 DDEDLN CSC[C@H](C)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292929628 533774314 /nfs/dbraw/zinc/77/43/14/533774314.db2.gz IOBRIWVPPGIGGF-AAEUAGOBSA-N 0 2 320.418 1.867 20 30 DDEDLN C=C(C)COc1cccc(-n2c(O)c(C(=O)OCC)[nH]c2=O)c1 ZINC000445950769 526664513 /nfs/dbraw/zinc/66/45/13/526664513.db2.gz AQMZTNZGULACDG-ZDUSSCGKSA-N 0 2 318.329 1.629 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000818500363 597082745 /nfs/dbraw/zinc/08/27/45/597082745.db2.gz DUGIAEJMKHZRHA-CJNGLKHVSA-N 0 2 316.357 1.959 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC(=O)[O-])C1 ZINC000818500363 597082747 /nfs/dbraw/zinc/08/27/47/597082747.db2.gz DUGIAEJMKHZRHA-CJNGLKHVSA-N 0 2 316.357 1.959 20 30 DDEDLN CCC[N@H+](CC(=O)[O-])CC(=O)N(CCC#N)c1ccccc1 ZINC000737013250 599800420 /nfs/dbraw/zinc/80/04/20/599800420.db2.gz NVXGTUMBIPCNCS-UHFFFAOYSA-N 0 2 303.362 1.730 20 30 DDEDLN CCC[N@@H+](CC(=O)[O-])CC(=O)N(CCC#N)c1ccccc1 ZINC000737013250 599800422 /nfs/dbraw/zinc/80/04/22/599800422.db2.gz NVXGTUMBIPCNCS-UHFFFAOYSA-N 0 2 303.362 1.730 20 30 DDEDLN CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738766682 601977712 /nfs/dbraw/zinc/97/77/12/601977712.db2.gz ROWVKSJIWPWPKH-IUODEOHRSA-N 0 2 310.398 1.115 20 30 DDEDLN CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738766682 601977714 /nfs/dbraw/zinc/97/77/14/601977714.db2.gz ROWVKSJIWPWPKH-IUODEOHRSA-N 0 2 310.398 1.115 20 30 DDEDLN C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000823721846 603799418 /nfs/dbraw/zinc/79/94/18/603799418.db2.gz AHZAZNGUASLUNP-AAEUAGOBSA-N 0 2 316.361 1.569 20 30 DDEDLN C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000823721846 603799423 /nfs/dbraw/zinc/79/94/23/603799423.db2.gz AHZAZNGUASLUNP-AAEUAGOBSA-N 0 2 316.361 1.569 20 30 DDEDLN N#CCCCOc1cccc(C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000821320384 604629553 /nfs/dbraw/zinc/62/95/53/604629553.db2.gz NRGBKHPZWDZSCY-OAHLLOKOSA-N 0 2 304.346 1.655 20 30 DDEDLN N#CCCCOc1cccc(C[N@H+]2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000821320384 604629557 /nfs/dbraw/zinc/62/95/57/604629557.db2.gz NRGBKHPZWDZSCY-OAHLLOKOSA-N 0 2 304.346 1.655 20 30 DDEDLN Cc1csc(C=Nn2c(C)cc(C)c(-c3nn[nH]n3)c2=O)n1 ZINC000826321041 607885305 /nfs/dbraw/zinc/88/53/05/607885305.db2.gz OHMGITHUYTWBME-UHFFFAOYSA-N 0 2 315.362 1.292 20 30 DDEDLN COc1cccc(CCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c1 ZINC000122552564 696722853 /nfs/dbraw/zinc/72/28/53/696722853.db2.gz ZLRFXMOAHJMKCT-CQSZACIVSA-N 0 2 311.341 1.953 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCSc1ccccn1 ZINC000122626671 696723870 /nfs/dbraw/zinc/72/38/70/696723870.db2.gz HTYSDNOWVDKPLI-NSHDSACASA-N 0 2 314.370 1.889 20 30 DDEDLN C/N=C1\S[C@H](CC(=O)NCCc2ccccc2F)C(=O)N1C ZINC000055117233 696282038 /nfs/dbraw/zinc/28/20/38/696282038.db2.gz NXZBIJFPCXLZGG-UWENYHRYSA-N 0 2 323.393 1.434 20 30 DDEDLN COc1cc(C)nc(N=NCc2cc([N+](=O)[O-])ccc2O)n1 ZINC000747634181 700078954 /nfs/dbraw/zinc/07/89/54/700078954.db2.gz AAPRXVMLSILTFB-UHFFFAOYSA-N 0 2 303.278 1.853 20 30 DDEDLN O=[N+]([O-])c1ccc(C=NNC(=S)NCC(F)(F)F)cc1O ZINC000748133278 700101384 /nfs/dbraw/zinc/10/13/84/700101384.db2.gz KEMTXOXTFFWOPE-UHFFFAOYSA-N 0 2 322.268 1.661 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CC=C(C)C)CC1 ZINC000981365723 697076506 /nfs/dbraw/zinc/07/65/06/697076506.db2.gz WZVSNCCVJNUPQK-KRWDZBQOSA-N 0 2 303.450 1.585 20 30 DDEDLN C#CCC(C)(C)COC(=O)Cc1c(C)nc2cc[nH]n2c1=O ZINC000185352256 697517026 /nfs/dbraw/zinc/51/70/26/697517026.db2.gz SKEPVFDPBJFKPC-UHFFFAOYSA-N 0 2 301.346 1.466 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000789401035 699384237 /nfs/dbraw/zinc/38/42/37/699384237.db2.gz XDDQVWBLRQMSLO-OLZOCXBDSA-N 0 2 307.309 1.682 20 30 DDEDLN C[C@H](C#N)OCCOC(=O)c1nn(-c2ccccc2F)cc1O ZINC000801866938 700348402 /nfs/dbraw/zinc/34/84/02/700348402.db2.gz RYOLCDAAULDSQZ-SNVBAGLBSA-N 0 2 319.292 1.802 20 30 DDEDLN COC(=O)[C@H](CC(F)F)/N=C\c1cc([N+](=O)[O-])ccc1O ZINC000761179212 700848388 /nfs/dbraw/zinc/84/83/88/700848388.db2.gz BLJLDRWMIZKYNL-JEHWNMSRSA-N 0 2 302.233 1.916 20 30 DDEDLN CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(F)C(F)(F)F ZINC000815880996 701956422 /nfs/dbraw/zinc/95/64/22/701956422.db2.gz ZFYDWWFCCHHBOR-QMMMGPOBSA-N 0 2 307.251 1.155 20 30 DDEDLN CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H](F)C(F)(F)F ZINC000815880996 701956430 /nfs/dbraw/zinc/95/64/30/701956430.db2.gz ZFYDWWFCCHHBOR-QMMMGPOBSA-N 0 2 307.251 1.155 20 30 DDEDLN C[C@@H]1CCCc2[nH+]cc(C([O-])=C(C#N)C(=O)N3CCCC3)n21 ZINC000845438845 703156924 /nfs/dbraw/zinc/15/69/24/703156924.db2.gz CQISIKFVQHVTDN-VXGBXAGGSA-N 0 2 300.362 1.725 20 30 DDEDLN C=C[C@H](C)ONC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000845626079 703183896 /nfs/dbraw/zinc/18/38/96/703183896.db2.gz QSCPLOANHKZGHC-NSHDSACASA-N 0 2 317.349 1.689 20 30 DDEDLN C#CCSCCNS(=O)(=O)c1onc(C2CC2)c1Cl ZINC000866852578 706825513 /nfs/dbraw/zinc/82/55/13/706825513.db2.gz GUFZFPGECCLCAU-UHFFFAOYSA-N 0 2 320.823 1.850 20 30 DDEDLN C=C[C@H](C)ONC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000862132850 705660970 /nfs/dbraw/zinc/66/09/70/705660970.db2.gz NTRSIHFIQROIOK-ZETCQYMHSA-N 0 2 306.240 1.694 20 30 DDEDLN C=C(C)CONC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000862133301 705661043 /nfs/dbraw/zinc/66/10/43/705661043.db2.gz XFDQJHUKSBGKAD-UHFFFAOYSA-N 0 2 306.240 1.696 20 30 DDEDLN C=C(C)C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C(=O)[O-] ZINC000909041883 712924524 /nfs/dbraw/zinc/92/45/24/712924524.db2.gz VVFXZOGAHDPKFH-LBPRGKRZSA-N 0 2 302.334 1.553 20 30 DDEDLN CC[C@@H]1COCC[N@@H+]1CC/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000871596996 707133449 /nfs/dbraw/zinc/13/34/49/707133449.db2.gz IWDIVPLXYICPFY-YDRQLGOLSA-N 0 2 307.350 1.830 20 30 DDEDLN CC[C@@H]1COCC[N@H+]1CC/N=C\c1cc([N+](=O)[O-])ccc1[O-] ZINC000871596996 707133454 /nfs/dbraw/zinc/13/34/54/707133454.db2.gz IWDIVPLXYICPFY-YDRQLGOLSA-N 0 2 307.350 1.830 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)CNc1ccncc1C#N ZINC001104237293 732736437 /nfs/dbraw/zinc/73/64/37/732736437.db2.gz VSQZQXVWYAJWBK-KWQFWETISA-N 0 2 318.274 1.440 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)CNc1ccncc1C#N ZINC001104237293 732736438 /nfs/dbraw/zinc/73/64/38/732736438.db2.gz VSQZQXVWYAJWBK-KWQFWETISA-N 0 2 318.274 1.440 20 30 DDEDLN C#CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001039224357 733279966 /nfs/dbraw/zinc/27/99/66/733279966.db2.gz FAYBBMMELQYILS-IRXDYDNUSA-N 0 2 314.433 1.609 20 30 DDEDLN CN(CCNc1ccc(C#N)nn1)C(=O)C(F)C(F)(F)F ZINC001102002859 742209901 /nfs/dbraw/zinc/20/99/01/742209901.db2.gz DAPVCEMZXXFLBE-VIFPVBQESA-N 0 2 305.235 1.119 20 30 DDEDLN CN(CCNc1ccc(C#N)nn1)C(=O)[C@H](F)C(F)(F)F ZINC001102002859 742209904 /nfs/dbraw/zinc/20/99/04/742209904.db2.gz DAPVCEMZXXFLBE-VIFPVBQESA-N 0 2 305.235 1.119 20 30 DDEDLN C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001027979762 738901484 /nfs/dbraw/zinc/90/14/84/738901484.db2.gz ABXOOSRZXWZUSU-HUUCEWRRSA-N 0 2 302.422 1.602 20 30 DDEDLN COC(=O)C1(C#N)CCN(C(=O)Cc2ccc(S)cc2)CC1 ZINC001183187683 743792958 /nfs/dbraw/zinc/79/29/58/743792958.db2.gz BKGDCPGJXYJSNC-UHFFFAOYSA-N 0 2 318.398 1.823 20 30 DDEDLN C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(CCCCC)[nH]n3)[C@@H]2C1 ZINC001189406015 744889847 /nfs/dbraw/zinc/88/98/47/744889847.db2.gz GNOCYHBKWPEBPT-WMLDXEAASA-N 0 2 314.433 1.922 20 30 DDEDLN CCOc1cc(NS(=O)(=O)[C@H](C)C#N)cc(C(=O)OC)c1 ZINC001193149945 745998124 /nfs/dbraw/zinc/99/81/24/745998124.db2.gz UCKCBWVPIMTPJF-SECBINFHSA-N 0 2 312.347 1.526 20 30 DDEDLN Cn1ncc(NS(=O)(=O)Cc2noc3ccccc23)c1C#N ZINC001194059702 746268021 /nfs/dbraw/zinc/26/80/21/746268021.db2.gz YICZEGDMZJWWBY-UHFFFAOYSA-N 0 2 317.330 1.375 20 30 DDEDLN O=C(NCc1n[nH]c(=O)[nH]1)c1ccc(C#CBr)cc1 ZINC001194817839 746467600 /nfs/dbraw/zinc/46/76/00/746467600.db2.gz NKBPDRNCQPOWSS-UHFFFAOYSA-N 0 2 321.134 1.144 20 30 DDEDLN CCOC(=O)[C@H](C)NC(=S)Nc1cc(C#N)c(F)cc1O ZINC001199843361 748017063 /nfs/dbraw/zinc/01/70/63/748017063.db2.gz WENDHGAKPZHCBZ-ZETCQYMHSA-N 0 2 311.338 1.641 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(N)cc2)c(C#N)c1 ZINC001212784327 749364361 /nfs/dbraw/zinc/36/43/61/749364361.db2.gz LGNDRGRYIYNMJW-UHFFFAOYSA-N 0 2 303.343 1.950 20 30 DDEDLN CCN(C(=O)C(F)C(F)(F)F)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001079901839 755624685 /nfs/dbraw/zinc/62/46/85/755624685.db2.gz YIJTXWKDWKISEW-APPZFPTMSA-N 0 2 309.263 1.106 20 30 DDEDLN CCN(C(=O)[C@H](F)C(F)(F)F)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001079901839 755624691 /nfs/dbraw/zinc/62/46/91/755624691.db2.gz YIJTXWKDWKISEW-APPZFPTMSA-N 0 2 309.263 1.106 20 30 DDEDLN C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)C(F)C(F)(F)F ZINC001109275251 763537007 /nfs/dbraw/zinc/53/70/07/763537007.db2.gz OHVFKTQMJDNURG-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CN(C)c1ccc(C#N)nn1)NC(=O)[C@H](F)C(F)(F)F ZINC001109275251 763537010 /nfs/dbraw/zinc/53/70/10/763537010.db2.gz OHVFKTQMJDNURG-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001098327801 764309297 /nfs/dbraw/zinc/30/92/97/764309297.db2.gz PSLNLNXKHIVEDB-HZGVNTEJSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001098327801 764309303 /nfs/dbraw/zinc/30/93/03/764309303.db2.gz PSLNLNXKHIVEDB-HZGVNTEJSA-N 0 2 305.235 1.165 20 30 DDEDLN CCOC(=O)[C@H](C#N)Nc1nccc(Br)c1C#N ZINC001170369335 766268711 /nfs/dbraw/zinc/26/87/11/766268711.db2.gz NNOHBSWLYWSGRQ-VIFPVBQESA-N 0 2 309.123 1.583 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ncccc1C#N ZINC001113933803 766423632 /nfs/dbraw/zinc/42/36/32/766423632.db2.gz DDALGOFSIUWHRT-PSASIEDQSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1ncccc1C#N ZINC001113933803 766423633 /nfs/dbraw/zinc/42/36/33/766423633.db2.gz DDALGOFSIUWHRT-PSASIEDQSA-N 0 2 318.274 1.795 20 30 DDEDLN Cc1[nH+]c[nH]c1CC(=O)NC1CC(CNc2ncccc2C#N)C1 ZINC001067859924 766761015 /nfs/dbraw/zinc/76/10/15/766761015.db2.gz BHBATFMQIGHCSI-UHFFFAOYSA-N 0 2 324.388 1.534 20 30 DDEDLN C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001049736754 771121751 /nfs/dbraw/zinc/12/17/51/771121751.db2.gz MNDPPPRBWCAGOL-FPCVCCKLSA-N 0 2 314.433 1.775 20 30 DDEDLN CN(CCNc1cnc(C#N)cn1)C(=O)C(F)C(F)(F)F ZINC001102002855 777784858 /nfs/dbraw/zinc/78/48/58/777784858.db2.gz CYGAYQUQRFHIML-VIFPVBQESA-N 0 2 305.235 1.119 20 30 DDEDLN CN(CCNc1cnc(C#N)cn1)C(=O)[C@H](F)C(F)(F)F ZINC001102002855 777784862 /nfs/dbraw/zinc/78/48/62/777784862.db2.gz CYGAYQUQRFHIML-VIFPVBQESA-N 0 2 305.235 1.119 20 30 DDEDLN C[C@@H](C#N)C(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001179893638 779519988 /nfs/dbraw/zinc/51/99/88/779519988.db2.gz CWKMKASDQNECBL-ZETCQYMHSA-N 0 2 310.273 1.071 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001269269193 841446981 /nfs/dbraw/zinc/44/69/81/841446981.db2.gz VKLJVUXAIIXSFB-NWDGAFQWSA-N 0 2 307.398 1.145 20 30 DDEDLN C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001269269193 841446984 /nfs/dbraw/zinc/44/69/84/841446984.db2.gz VKLJVUXAIIXSFB-NWDGAFQWSA-N 0 2 307.398 1.145 20 30 DDEDLN CCOC(=O)C(C#N)Nc1nc(SC)nc(Cl)c1C#N ZINC001159324359 865224276 /nfs/dbraw/zinc/22/42/76/865224276.db2.gz WAEKZPPWNOTDCI-ZETCQYMHSA-N 0 2 311.754 1.013 20 30 DDEDLN CCOC(=O)[C@H](C#N)Nc1nc(SC)nc(Cl)c1C#N ZINC001159324359 865224293 /nfs/dbraw/zinc/22/42/93/865224293.db2.gz WAEKZPPWNOTDCI-ZETCQYMHSA-N 0 2 311.754 1.013 20 30 DDEDLN C=C(C)Cn1nnnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC001333673367 866922894 /nfs/dbraw/zinc/92/28/94/866922894.db2.gz GPYZWKGGAGVUNJ-UHFFFAOYSA-N 0 2 317.378 1.596 20 30 DDEDLN C=C[C@H](COC)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001335172728 868111071 /nfs/dbraw/zinc/11/10/71/868111071.db2.gz ZYDXPQWHXXKMMR-MRVPVSSYSA-N 0 2 320.267 1.389 20 30 DDEDLN CCCCC[C@@H]1CCCCN1c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001336678851 869088609 /nfs/dbraw/zinc/08/86/09/869088609.db2.gz FXCJQRKRICFOBL-GFCCVEGCSA-N 0 2 304.394 1.884 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001339209516 870404015 /nfs/dbraw/zinc/40/40/15/870404015.db2.gz AXOARKAIAJGGLJ-RKDXNWHRSA-N 0 2 307.789 1.995 20 30 DDEDLN CC(C)(C)C#CC(=O)NC[C@@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001299022084 870844273 /nfs/dbraw/zinc/84/42/73/870844273.db2.gz NDDDEUFALULGGM-ONGXEEELSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)(C)C#CC(=O)NC[C@@H]1CCN1C(=O)[C@H](F)C(F)(F)F ZINC001299022084 870844282 /nfs/dbraw/zinc/84/42/82/870844282.db2.gz NDDDEUFALULGGM-ONGXEEELSA-N 0 2 322.302 1.653 20 30 DDEDLN Nc1cnnc(N=NCc2ccc(O)c([N+](=O)[O-])c2)c1Cl ZINC001319196770 872493200 /nfs/dbraw/zinc/49/32/00/872493200.db2.gz RPCDPCSBHSRJGA-UHFFFAOYSA-N 0 2 308.685 1.772 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001362009996 882815044 /nfs/dbraw/zinc/81/50/44/882815044.db2.gz MFESFGXTNIWPSE-UHFFFAOYSA-N 0 2 323.356 1.325 20 30 DDEDLN CCC#C[C@@H](C)Oc1nc(I)cc(=O)[nH]1 ZINC001228946806 883743492 /nfs/dbraw/zinc/74/34/92/883743492.db2.gz OBSCYAGHIZOWRS-SSDOTTSWSA-N 0 2 318.114 1.968 20 30 DDEDLN CC[C@H](C)n1ncc(Nc2[nH]c(=O)n(C)c(=O)c2C#N)c1C ZINC001365227471 890394747 /nfs/dbraw/zinc/39/47/47/890394747.db2.gz NIEAPLDXJBRMBD-QMMMGPOBSA-N 0 2 302.338 1.165 20 30 DDEDLN O=C(C(F)C(F)(F)F)N1CCN(CCC(F)(F)F)CC1 ZINC001365633161 891214327 /nfs/dbraw/zinc/21/43/27/891214327.db2.gz MWSAHCGMPBJWCK-ZETCQYMHSA-N 0 2 310.213 1.983 20 30 DDEDLN Cc1nnc2cc(NS(=O)(=O)c3ccccc3C#N)ccn12 ZINC001258208800 898108673 /nfs/dbraw/zinc/10/86/73/898108673.db2.gz YETOTLRCGXODQN-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN C#Cc1cc(=NS(=O)(=O)c2ccc3ncsc3c2)cc[nH]1 ZINC001259390815 898649476 /nfs/dbraw/zinc/64/94/76/898649476.db2.gz ZTTZGNPPROJGDI-UHFFFAOYSA-N 0 2 315.379 1.895 20 30 DDEDLN CC(=O)Nc1cccc(S(=O)(=O)Nc2cc(C#N)ccn2)c1 ZINC001260801965 899268477 /nfs/dbraw/zinc/26/84/77/899268477.db2.gz SKPIEFQEFFRVGR-UHFFFAOYSA-N 0 2 316.342 1.712 20 30 DDEDLN CC(C)(C)C#CC(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001284913469 909723654 /nfs/dbraw/zinc/72/36/54/909723654.db2.gz LVQBTLKIQWMOHI-JTQLQIEISA-N 0 2 308.275 1.263 20 30 DDEDLN CC(C)(C)C#CC(=O)N1CC(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001284913469 909723658 /nfs/dbraw/zinc/72/36/58/909723658.db2.gz LVQBTLKIQWMOHI-JTQLQIEISA-N 0 2 308.275 1.263 20 30 DDEDLN C=C[C@@](C)(O)CC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000278729213 214359517 /nfs/dbraw/zinc/35/95/17/214359517.db2.gz UCAPADWCEDMWSM-CQSZACIVSA-N 0 2 307.375 1.682 20 30 DDEDLN CN1CCC[N@H+](CCCNC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000615427355 362284498 /nfs/dbraw/zinc/28/44/98/362284498.db2.gz KAVLUXHKLSQROH-UHFFFAOYSA-N 0 2 316.405 1.021 20 30 DDEDLN CN1CCC[N@@H+](CCCNC(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000615427355 362284505 /nfs/dbraw/zinc/28/45/05/362284505.db2.gz KAVLUXHKLSQROH-UHFFFAOYSA-N 0 2 316.405 1.021 20 30 DDEDLN CC(C)(C)n1cnc(NS(=O)(=O)c2cccc(CC#N)c2)n1 ZINC000589588153 355002707 /nfs/dbraw/zinc/00/27/07/355002707.db2.gz YNRHGOIURODUSE-UHFFFAOYSA-N 0 2 319.390 1.900 20 30 DDEDLN CN(C)c1cc(NS(=O)(=O)c2cccc(CC#N)c2)ncn1 ZINC000589592511 355002999 /nfs/dbraw/zinc/00/29/99/355002999.db2.gz NJEGBAHKTCBEDO-UHFFFAOYSA-N 0 2 317.374 1.409 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@@H]3COC[C@]3(C)C2)cc1C#N ZINC000598232285 357502214 /nfs/dbraw/zinc/50/22/14/357502214.db2.gz OZGDMIINIXZKND-BMIGLBTASA-N 0 2 319.386 1.489 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2c(C)nn(C)c2C)n(CCC#N)n1 ZINC000609849048 360356582 /nfs/dbraw/zinc/35/65/82/360356582.db2.gz YAQZKDMZDRMCOS-UHFFFAOYSA-N 0 2 322.394 1.256 20 30 DDEDLN C[C@@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000579789596 422830258 /nfs/dbraw/zinc/83/02/58/422830258.db2.gz VOTUDSNGBLBFPW-MRVPVSSYSA-N 0 2 310.273 1.803 20 30 DDEDLN C=CCNC(=O)c1ccccc1NS(=O)(=O)N1CCCCC1 ZINC000151918042 407526178 /nfs/dbraw/zinc/52/61/78/407526178.db2.gz BGJSVPFNQFCLNZ-UHFFFAOYSA-N 0 2 323.418 1.745 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(Br)cn2)[nH]c1C#N ZINC000171183503 407620093 /nfs/dbraw/zinc/62/00/93/407620093.db2.gz HQYKSIDSLNYHLE-UHFFFAOYSA-N 0 2 317.106 1.563 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(OCC(F)F)nc2)[nH]c1C#N ZINC000161080248 408556582 /nfs/dbraw/zinc/55/65/82/408556582.db2.gz ZHTPUMQOGMGIQN-UHFFFAOYSA-N 0 2 318.243 1.444 20 30 DDEDLN CC(C)(C)OCc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)no1 ZINC000184462881 408623183 /nfs/dbraw/zinc/62/31/83/408623183.db2.gz FQNAMOMYDZTKCR-UHFFFAOYSA-N 0 2 314.305 1.708 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1nc(CC(=O)OCC)cs1 ZINC000291918300 408945267 /nfs/dbraw/zinc/94/52/67/408945267.db2.gz UIQGYHCRNASOLN-UHFFFAOYSA-N 0 2 318.420 1.957 20 30 DDEDLN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000289034511 409210538 /nfs/dbraw/zinc/21/05/38/409210538.db2.gz LJCKHSDDLAHSDD-CHWSQXEVSA-N 0 2 314.345 1.685 20 30 DDEDLN COc1cc(C#N)ccc1OCCCC(=O)N=c1cccn[nH]1 ZINC000346055152 409742058 /nfs/dbraw/zinc/74/20/58/409742058.db2.gz LFTVKSOWPBQEDI-UHFFFAOYSA-N 0 2 312.329 2.155 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cc[nH]c(=O)c2Br)c1C#N ZINC000357245732 409952526 /nfs/dbraw/zinc/95/25/26/409952526.db2.gz QRTGZWZXOAHRBJ-UHFFFAOYSA-N 0 2 322.122 1.705 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cnc(-c3ccncc3)s2)c1C#N ZINC000357240946 409948180 /nfs/dbraw/zinc/94/81/80/409948180.db2.gz JBTZBMWLDVPJTK-UHFFFAOYSA-N 0 2 310.342 2.361 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2noc(-c3cccs3)n2)o1 ZINC000579883985 422851287 /nfs/dbraw/zinc/85/12/87/422851287.db2.gz HLGNOUVARBERQS-UHFFFAOYSA-N 0 2 322.327 2.064 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC(=O)[C@@H](C)C2)cc1C#N ZINC000329247890 410190035 /nfs/dbraw/zinc/19/00/35/410190035.db2.gz ADFAFFSXJQWJML-QMMMGPOBSA-N 0 2 305.359 1.432 20 30 DDEDLN Cc1oc2nc[nH]c(=O)c2c1C(=O)N=c1[nH][nH]c(C2CC2)c1C#N ZINC000359724108 410838601 /nfs/dbraw/zinc/83/86/01/410838601.db2.gz LPIDRGAESQWUJF-UHFFFAOYSA-N 0 2 324.300 1.961 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCC[C@@H]2CCO)cc1C#N ZINC000331149365 410980879 /nfs/dbraw/zinc/98/08/79/410980879.db2.gz BHGJUDKJMLPCAN-BXKDBHETSA-N 0 2 321.402 1.662 20 30 DDEDLN Cc1ccc(N2CCC(=C([O-])[NH+]=C3C[C@H](C)ON3)C2=O)cc1C ZINC000371274373 418772833 /nfs/dbraw/zinc/77/28/33/418772833.db2.gz DYEMGEUGLWJZIV-JSGCOSHPSA-N 0 2 315.373 1.895 20 30 DDEDLN C=C[C@H]1CCCCN1C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000427683084 419715241 /nfs/dbraw/zinc/71/52/41/419715241.db2.gz QZMCFPGIYABFGO-JTQLQIEISA-N 0 2 322.434 1.763 20 30 DDEDLN COC(C)(C)CN(C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000532343430 421657949 /nfs/dbraw/zinc/65/79/49/421657949.db2.gz LFSZLUSLJWKJMJ-UHFFFAOYSA-N 0 2 309.391 1.878 20 30 DDEDLN CCC[C@H](CCO)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000359546192 266077788 /nfs/dbraw/zinc/07/77/88/266077788.db2.gz TZFUOONLGHHBGB-SNVBAGLBSA-N 0 2 323.418 1.909 20 30 DDEDLN CCOCC(C)(C)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000355144332 266271709 /nfs/dbraw/zinc/27/17/09/266271709.db2.gz SRFRZQRRTDUHTK-UHFFFAOYSA-N 0 2 309.391 1.926 20 30 DDEDLN N#Cc1cccc(NC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000373831569 268267561 /nfs/dbraw/zinc/26/75/61/268267561.db2.gz NDOUCCOXHBQISA-UHFFFAOYSA-N 0 2 312.333 1.793 20 30 DDEDLN N#Cc1nc(NC(=O)C2CCC(OC(F)F)CC2)[nH]c1C#N ZINC000351306931 268324197 /nfs/dbraw/zinc/32/41/97/268324197.db2.gz TVIIUHKJCMIRTJ-UHFFFAOYSA-N 0 2 309.276 1.890 20 30 DDEDLN Cc1c2cc(C#N)ccc2sc1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000341799424 271215966 /nfs/dbraw/zinc/21/59/66/271215966.db2.gz NXBXJLYWCYUKNO-UHFFFAOYSA-N 0 2 313.342 1.835 20 30 DDEDLN CC(C)C[C@@H]1C[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC(=O)N1 ZINC000350006193 279049759 /nfs/dbraw/zinc/04/97/59/279049759.db2.gz IJNWAKFSLXQPHL-NXEZZACHSA-N 0 2 314.349 1.032 20 30 DDEDLN Cc1cc(C(O)=C(C#N)C(=O)NC2CC2)c(C)n1[C@H]1CCOC1 ZINC000528921677 340739351 /nfs/dbraw/zinc/73/93/51/340739351.db2.gz VZOUXWNHEUXCPD-DZGCQCFKSA-N 0 2 315.373 1.667 20 30 DDEDLN C#C[C@@H]1COCCN1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000491741338 527298616 /nfs/dbraw/zinc/29/86/16/527298616.db2.gz ZDIVHPDQRPMDEP-GFCCVEGCSA-N 0 2 314.370 1.493 20 30 DDEDLN C=CCC[C@@H](CO)NC(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000412406311 527432370 /nfs/dbraw/zinc/43/23/70/527432370.db2.gz XXTQHBZEMOKCOO-LBPRGKRZSA-N 0 2 303.318 1.087 20 30 DDEDLN C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001120845280 782180889 /nfs/dbraw/zinc/18/08/89/782180889.db2.gz PFSLQCFTJDDDCZ-IONNQARKSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001120845280 782180896 /nfs/dbraw/zinc/18/08/96/782180896.db2.gz PFSLQCFTJDDDCZ-IONNQARKSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001120845983 782182436 /nfs/dbraw/zinc/18/24/36/782182436.db2.gz UBCKPXCJKRVWFJ-KCJUWKMLSA-N 0 2 318.274 1.534 20 30 DDEDLN C[C@H](CN(C)C(=O)[C@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001120845983 782182443 /nfs/dbraw/zinc/18/24/43/782182443.db2.gz UBCKPXCJKRVWFJ-KCJUWKMLSA-N 0 2 318.274 1.534 20 30 DDEDLN Cc1nn(CC#Cc2ccc(F)cc2)c(=O)c(-c2nn[nH]n2)c1C ZINC000822497215 607326981 /nfs/dbraw/zinc/32/69/81/607326981.db2.gz YOZCXLJSHOPSSQ-UHFFFAOYSA-N 0 2 324.319 1.231 20 30 DDEDLN C[C@H](CNC(=O)[O-])[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000738942696 602557378 /nfs/dbraw/zinc/55/73/78/602557378.db2.gz WWXDVRWCXIHLPU-SECBINFHSA-N 0 2 324.768 1.738 20 30 DDEDLN C[C@H](CNC(=O)[O-])[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000738942696 602557381 /nfs/dbraw/zinc/55/73/81/602557381.db2.gz WWXDVRWCXIHLPU-SECBINFHSA-N 0 2 324.768 1.738 20 30 DDEDLN C[C@@H]1C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739175314 603411854 /nfs/dbraw/zinc/41/18/54/603411854.db2.gz KIPHQOFETNTJGV-SWHYSGLUSA-N 0 2 316.361 1.063 20 30 DDEDLN C[C@@H]1C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC[C@@H]1NC(=O)[O-] ZINC000739175314 603411855 /nfs/dbraw/zinc/41/18/55/603411855.db2.gz KIPHQOFETNTJGV-SWHYSGLUSA-N 0 2 316.361 1.063 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)COCCc1ccccc1 ZINC000122768048 696725135 /nfs/dbraw/zinc/72/51/35/696725135.db2.gz AFKBOCKWQKKCHA-AWEZNQCLSA-N 0 2 311.341 1.571 20 30 DDEDLN Cc1cccc2[nH]c([C@@H](C#N)C(=O)[C@H](C)n3cnc(C#N)n3)nc21 ZINC000798831416 700099943 /nfs/dbraw/zinc/09/99/43/700099943.db2.gz IKXUCCPYTDWBLU-QWRGUYRKSA-N 0 2 319.328 1.772 20 30 DDEDLN Cc1cccc2nc([C@@H](C#N)C(=O)[C@H](C)n3cnc(C#N)n3)[nH]c21 ZINC000798831416 700099945 /nfs/dbraw/zinc/09/99/45/700099945.db2.gz IKXUCCPYTDWBLU-QWRGUYRKSA-N 0 2 319.328 1.772 20 30 DDEDLN C#CCOc1ccc(C(=O)NCCc2n[nH]c(=S)o2)cc1 ZINC000773101841 697713042 /nfs/dbraw/zinc/71/30/42/697713042.db2.gz QRYMNJVHNONIJJ-UHFFFAOYSA-N 0 2 303.343 1.343 20 30 DDEDLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NO)cc1 ZINC000782173071 698692808 /nfs/dbraw/zinc/69/28/08/698692808.db2.gz IXSGFRJARQLRMU-UHFFFAOYSA-N 0 2 312.372 1.976 20 30 DDEDLN Cc1nc(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c(C)s1 ZINC000786473173 699148563 /nfs/dbraw/zinc/14/85/63/699148563.db2.gz ZJMIZTFOJHABFN-JTQLQIEISA-N 0 2 302.359 1.628 20 30 DDEDLN N#CC(C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccncn1 ZINC000760342576 700803435 /nfs/dbraw/zinc/80/34/35/700803435.db2.gz YXTIARUBLMPSOE-KBPBESRZSA-N 0 2 324.315 1.845 20 30 DDEDLN N#CC(C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O)c1ccncn1 ZINC000760342739 700803549 /nfs/dbraw/zinc/80/35/49/700803549.db2.gz YXTIARUBLMPSOE-UONOGXRCSA-N 0 2 324.315 1.845 20 30 DDEDLN N#CC(C(=O)Cn1cc(C2CC2)cn1)c1nnc2n1CCCCC2 ZINC000850781705 703752558 /nfs/dbraw/zinc/75/25/58/703752558.db2.gz CHHPXUJEMVWRLV-CQSZACIVSA-N 0 2 324.388 1.955 20 30 DDEDLN N#C[C@H](C(=O)Cn1cc(C2CC2)cn1)c1nnc2n1CCCCC2 ZINC000850781705 703752559 /nfs/dbraw/zinc/75/25/59/703752559.db2.gz CHHPXUJEMVWRLV-CQSZACIVSA-N 0 2 324.388 1.955 20 30 DDEDLN CC[C@H](C(=O)[N-]Oc1cccc(C#N)c1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000870690004 704104660 /nfs/dbraw/zinc/10/46/60/704104660.db2.gz HCNSYFSVAIHIHD-GOEBONIOSA-N 0 2 317.389 1.858 20 30 DDEDLN CC[C@H](C(=O)[N-]Oc1cccc(C#N)c1)[N@H+]1CCO[C@@H](CC)C1 ZINC000870690004 704104662 /nfs/dbraw/zinc/10/46/62/704104662.db2.gz HCNSYFSVAIHIHD-GOEBONIOSA-N 0 2 317.389 1.858 20 30 DDEDLN C#CCONC(=O)C1(c2ccccc2)CCN(C(=O)C=C)CC1 ZINC000855606950 704493357 /nfs/dbraw/zinc/49/33/57/704493357.db2.gz SRYLPKMWXWFCRH-UHFFFAOYSA-N 0 2 312.369 1.414 20 30 DDEDLN C=CCO[N-]C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C1CCCCC1 ZINC000909283079 712981657 /nfs/dbraw/zinc/98/16/57/712981657.db2.gz QTBSXUQNGOHFLI-AWEZNQCLSA-N 0 2 320.393 1.251 20 30 DDEDLN C=CCO[N-]C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C1CCCCC1 ZINC000909283079 712981659 /nfs/dbraw/zinc/98/16/59/712981659.db2.gz QTBSXUQNGOHFLI-AWEZNQCLSA-N 0 2 320.393 1.251 20 30 DDEDLN CCC[C@H](C#N)NS(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000906059868 712233429 /nfs/dbraw/zinc/23/34/29/712233429.db2.gz BKJYAODAOHOJEF-WYRIXSBYSA-N 0 2 321.468 1.944 20 30 DDEDLN N#CCN1CC[C@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131339 732838316 /nfs/dbraw/zinc/83/83/16/732838316.db2.gz JVOQDDLYDKOKNZ-RYUDHWBXSA-N 0 2 321.318 1.971 20 30 DDEDLN N#CCS(=O)(=O)Nc1cnc(Br)c(Cl)c1 ZINC001192939599 745940394 /nfs/dbraw/zinc/94/03/94/745940394.db2.gz UMIJPJDZUMVMJH-UHFFFAOYSA-N 0 2 310.560 1.763 20 30 DDEDLN N#CCS(=O)(=O)Nc1cnn(-c2ccccc2)c(=O)c1Cl ZINC001192988124 745943190 /nfs/dbraw/zinc/94/31/90/745943190.db2.gz PQHAWVKBIUKECA-UHFFFAOYSA-N 0 2 324.749 1.151 20 30 DDEDLN Cc1ccc(S(=O)(=O)Nc2cc(C#N)c(F)cc2O)cn1 ZINC001198317400 747449423 /nfs/dbraw/zinc/44/94/23/747449423.db2.gz GTHHBNHCGBOUKQ-UHFFFAOYSA-N 0 2 307.306 1.907 20 30 DDEDLN COCCn1cnc(NS(=O)(=O)c2ccc(C)c(C#N)c2)c1 ZINC001201294737 748467582 /nfs/dbraw/zinc/46/75/82/748467582.db2.gz CTVIHXIAVUQLAE-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033874571 750007662 /nfs/dbraw/zinc/00/76/62/750007662.db2.gz BFNJQVAHYZQNLX-GJZGRUSLSA-N 0 2 302.422 1.554 20 30 DDEDLN C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001034018573 750258838 /nfs/dbraw/zinc/25/88/38/750258838.db2.gz FKBSIOUTRCCLLN-NSHDSACASA-N 0 2 314.345 1.098 20 30 DDEDLN C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001034018573 750258842 /nfs/dbraw/zinc/25/88/42/750258842.db2.gz FKBSIOUTRCCLLN-NSHDSACASA-N 0 2 314.345 1.098 20 30 DDEDLN CC(C)C#CC(=O)NCC1(NC(=O)C(F)C(F)(F)F)CCC1 ZINC001062965092 753875562 /nfs/dbraw/zinc/87/55/62/753875562.db2.gz ZNAALGRAWYHCGT-NSHDSACASA-N 0 2 322.302 1.701 20 30 DDEDLN CC(C)C#CC(=O)NCC1(NC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001062965092 753875567 /nfs/dbraw/zinc/87/55/67/753875567.db2.gz ZNAALGRAWYHCGT-NSHDSACASA-N 0 2 322.302 1.701 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC001063306313 754079569 /nfs/dbraw/zinc/07/95/69/754079569.db2.gz WHURFMPSLRLULQ-JGVFFNPUSA-N 0 2 309.263 1.202 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001063306313 754079572 /nfs/dbraw/zinc/07/95/72/754079572.db2.gz WHURFMPSLRLULQ-JGVFFNPUSA-N 0 2 309.263 1.202 20 30 DDEDLN CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001085855763 760392224 /nfs/dbraw/zinc/39/22/24/760392224.db2.gz INUIQZUDYVKMMM-IAGOWNOFSA-N 0 2 305.466 1.805 20 30 DDEDLN CN(CCCN(C)C(=O)C(F)C(F)(F)F)C(=O)C#CC1CC1 ZINC001067380881 763532134 /nfs/dbraw/zinc/53/21/34/763532134.db2.gz XHBMYNJTOUFZLR-GFCCVEGCSA-N 0 2 322.302 1.607 20 30 DDEDLN CN(CCCN(C)C(=O)[C@@H](F)C(F)(F)F)C(=O)C#CC1CC1 ZINC001067380881 763532137 /nfs/dbraw/zinc/53/21/37/763532137.db2.gz XHBMYNJTOUFZLR-GFCCVEGCSA-N 0 2 322.302 1.607 20 30 DDEDLN C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@H]1C ZINC001071440056 769435513 /nfs/dbraw/zinc/43/55/13/769435513.db2.gz MTYXUKPYAHSDKM-KOLCDFICSA-N 0 2 312.801 1.759 20 30 DDEDLN C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@H]1C ZINC001071440056 769435521 /nfs/dbraw/zinc/43/55/21/769435521.db2.gz MTYXUKPYAHSDKM-KOLCDFICSA-N 0 2 312.801 1.759 20 30 DDEDLN C=C(Cl)C[N@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@@H]1C ZINC001071440058 769435904 /nfs/dbraw/zinc/43/59/04/769435904.db2.gz MTYXUKPYAHSDKM-ONGXEEELSA-N 0 2 312.801 1.759 20 30 DDEDLN C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])CC[C@@H]1C ZINC001071440058 769435909 /nfs/dbraw/zinc/43/59/09/769435909.db2.gz MTYXUKPYAHSDKM-ONGXEEELSA-N 0 2 312.801 1.759 20 30 DDEDLN CC(C)(C)C#CC(=O)NC[C@H]1CCCCN1Cc1n[nH]c(=O)[nH]1 ZINC001266842625 836914716 /nfs/dbraw/zinc/91/47/16/836914716.db2.gz RIETYXDYJVJTMO-GFCCVEGCSA-N 0 2 319.409 1.031 20 30 DDEDLN C#CCCCCC(=O)N[C@H](C)CNC(=O)C(F)C(F)(F)F ZINC001285636009 843170870 /nfs/dbraw/zinc/17/08/70/843170870.db2.gz ZGQZSRDZQJVWJN-KOLCDFICSA-N 0 2 310.291 1.701 20 30 DDEDLN C#CCCCCC(=O)N[C@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001285636009 843170879 /nfs/dbraw/zinc/17/08/79/843170879.db2.gz ZGQZSRDZQJVWJN-KOLCDFICSA-N 0 2 310.291 1.701 20 30 DDEDLN CSc1nc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)n[nH]1 ZINC001411712862 853619054 /nfs/dbraw/zinc/61/90/54/853619054.db2.gz CTTNEGUWFJWWEE-UHFFFAOYSA-N 0 2 322.375 1.473 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@@H](C)C1CN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001330001341 864010655 /nfs/dbraw/zinc/01/06/55/864010655.db2.gz WEIYYHDCSNTUJE-JTQLQIEISA-N 0 2 307.398 1.049 20 30 DDEDLN CC1(C)CC(=O)C=C(NC(=O)c2c[nH]c3cccnc3c2=O)C1 ZINC001153861869 864170982 /nfs/dbraw/zinc/17/09/82/864170982.db2.gz MKWJPBKCDXVRHB-UHFFFAOYSA-N 0 2 311.341 1.926 20 30 DDEDLN C=C[C@H](CC)CC(=O)N[C@@]1(C)CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001324642361 867424043 /nfs/dbraw/zinc/42/40/43/867424043.db2.gz TYQUBSMCNUQOFZ-ABAIWWIYSA-N 0 2 307.398 1.193 20 30 DDEDLN C=C[C@H](CC)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001324642361 867424048 /nfs/dbraw/zinc/42/40/48/867424048.db2.gz TYQUBSMCNUQOFZ-ABAIWWIYSA-N 0 2 307.398 1.193 20 30 DDEDLN Cc1ccc(SCCNc2[nH]c(=O)n(C)c(=O)c2C#N)cc1 ZINC001336454049 868952872 /nfs/dbraw/zinc/95/28/72/868952872.db2.gz YGYFMZAJSPUVAU-UHFFFAOYSA-N 0 2 316.386 1.458 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2coc(-c3ccccc3F)n2)c1=O ZINC001166384195 869975786 /nfs/dbraw/zinc/97/57/86/869975786.db2.gz ROLXUNSJVJHOGJ-UHFFFAOYSA-N 0 2 312.260 1.251 20 30 DDEDLN C[C@@H](CNC(=O)C#CC(C)(C)C)NC(=O)C(F)C(F)(F)F ZINC001298795555 870732351 /nfs/dbraw/zinc/73/23/51/870732351.db2.gz MLRXDFDZTHWJCZ-WCBMZHEXSA-N 0 2 310.291 1.557 20 30 DDEDLN C[C@@H](CNC(=O)C#CC(C)(C)C)NC(=O)[C@@H](F)C(F)(F)F ZINC001298795555 870732358 /nfs/dbraw/zinc/73/23/58/870732358.db2.gz MLRXDFDZTHWJCZ-WCBMZHEXSA-N 0 2 310.291 1.557 20 30 DDEDLN C=CCCOCC(=O)N[C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001298806310 870736505 /nfs/dbraw/zinc/73/65/05/870736505.db2.gz ANUSOVSIDMVHJN-WCBMZHEXSA-N 0 2 314.279 1.100 20 30 DDEDLN C=CCCOCC(=O)N[C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001298806310 870736515 /nfs/dbraw/zinc/73/65/15/870736515.db2.gz ANUSOVSIDMVHJN-WCBMZHEXSA-N 0 2 314.279 1.100 20 30 DDEDLN N#Cc1cccc(ONC(=O)[C@H]2C[C@@]23C(=O)Nc2ccccc23)c1 ZINC001302374388 871065521 /nfs/dbraw/zinc/06/55/21/871065521.db2.gz XBUITWPIOMEGCN-KDOFPFPSSA-N 0 2 319.320 1.878 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)N1CCc2cc[nH+]c(N)c2C1 ZINC001363126627 885529775 /nfs/dbraw/zinc/52/97/75/885529775.db2.gz PEPUWYBJYHOOJM-UHFFFAOYSA-N 0 2 309.329 1.143 20 30 DDEDLN Cn1c(=O)[nH]c(NCCc2ccc(F)cc2Cl)c(C#N)c1=O ZINC001363729767 887089509 /nfs/dbraw/zinc/08/95/09/887089509.db2.gz KPDKDHKHIXEAFO-UHFFFAOYSA-N 0 2 322.727 1.392 20 30 DDEDLN C[C@@H](C#N)C(=O)NCCN(C(=O)C(F)C(F)(F)F)C1CC1 ZINC001388679121 895680455 /nfs/dbraw/zinc/68/04/55/895680455.db2.gz SJVQKOSUZDTAFQ-IONNQARKSA-N 0 2 309.263 1.154 20 30 DDEDLN C[C@@H](C#N)C(=O)NCCN(C(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001388679121 895680466 /nfs/dbraw/zinc/68/04/66/895680466.db2.gz SJVQKOSUZDTAFQ-IONNQARKSA-N 0 2 309.263 1.154 20 30 DDEDLN CCn1nccc1C(=O)[C@H](C#N)c1nc(N)c2ccccc2n1 ZINC001263292602 900559993 /nfs/dbraw/zinc/55/99/93/900559993.db2.gz MMNDWXHELYEWCO-NSHDSACASA-N 0 2 306.329 1.918 20 30 DDEDLN C#CCCCC(=O)N1CCC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001293863712 914740632 /nfs/dbraw/zinc/74/06/32/914740632.db2.gz CUEWBSHVJVYTER-JQWIXIFHSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCC(=O)N1CCC[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001293863712 914740642 /nfs/dbraw/zinc/74/06/42/914740642.db2.gz CUEWBSHVJVYTER-JQWIXIFHSA-N 0 2 322.302 1.798 20 30 DDEDLN C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001372553656 907551602 /nfs/dbraw/zinc/55/16/02/907551602.db2.gz KKMNEDRKYSFTHE-ZIAGYGMSSA-N 0 2 301.862 1.906 20 30 DDEDLN C=CCCC(=O)N1CC([C@@H](C)NC(=O)C(F)C(F)(F)F)C1 ZINC001286198367 911815976 /nfs/dbraw/zinc/81/59/76/911815976.db2.gz DMCKPAADZUVZFR-KCJUWKMLSA-N 0 2 310.291 1.816 20 30 DDEDLN C=CCCC(=O)N1CC([C@@H](C)NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001286198367 911815983 /nfs/dbraw/zinc/81/59/83/911815983.db2.gz DMCKPAADZUVZFR-KCJUWKMLSA-N 0 2 310.291 1.816 20 30 DDEDLN CC(C)(C)n1nccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000615565994 362342509 /nfs/dbraw/zinc/34/25/09/362342509.db2.gz WEGWXRIAMVTIKU-UHFFFAOYSA-N 0 2 305.363 1.706 20 30 DDEDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(CC#N)CC#N)=N1 ZINC000080477190 192160804 /nfs/dbraw/zinc/16/08/04/192160804.db2.gz LMCXQOGMSSATHF-UHFFFAOYSA-N 0 2 313.292 1.515 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2cnn(C)c2C)n1 ZINC000067895720 353073495 /nfs/dbraw/zinc/07/34/95/353073495.db2.gz KZQLMHKQRPMWLF-VIFPVBQESA-N 0 2 318.358 1.852 20 30 DDEDLN Cn1cc(CNC(=O)CSCc2ccc(C#N)cc2)nn1 ZINC000092110595 353844544 /nfs/dbraw/zinc/84/45/44/353844544.db2.gz ORCAHQUVXBBESL-UHFFFAOYSA-N 0 2 301.375 1.236 20 30 DDEDLN N#Cc1ccncc1C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000588910242 354948714 /nfs/dbraw/zinc/94/87/14/354948714.db2.gz GBDHQVAKNKDZDT-UHFFFAOYSA-N 0 2 307.269 1.549 20 30 DDEDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000589553318 355001396 /nfs/dbraw/zinc/00/13/96/355001396.db2.gz WVECEFZQSRQGEU-UHFFFAOYSA-N 0 2 320.330 1.177 20 30 DDEDLN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000589555330 355001457 /nfs/dbraw/zinc/00/14/57/355001457.db2.gz XYRSXRQVJUIXMF-UHFFFAOYSA-N 0 2 322.371 1.223 20 30 DDEDLN Cc1cc(C#N)cnc1C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000590209398 355058399 /nfs/dbraw/zinc/05/83/99/355058399.db2.gz QRWVGINEYOWUEA-UHFFFAOYSA-N 0 2 321.296 1.857 20 30 DDEDLN Cc1ccc(C#N)cc1NS(=O)(=O)c1cnn2c1OCCC2 ZINC000603416887 359627716 /nfs/dbraw/zinc/62/77/16/359627716.db2.gz VBWICFUGQLSRDO-UHFFFAOYSA-N 0 2 318.358 1.647 20 30 DDEDLN Cc1c(C(=O)NCc2n[nH]c(=O)[nH]2)nnn1CC1CCCC1 ZINC000329859379 223039444 /nfs/dbraw/zinc/03/94/44/223039444.db2.gz OTSZCBAADXJPKE-UHFFFAOYSA-N 0 2 305.342 1.105 20 30 DDEDLN CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(C#N)nc2)o1 ZINC000194794025 201288927 /nfs/dbraw/zinc/28/89/27/201288927.db2.gz QRRRQQBUJYQBQW-UHFFFAOYSA-N 0 2 307.335 1.435 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cn(C4CC4)nn3)nc21 ZINC000626349827 367497039 /nfs/dbraw/zinc/49/70/39/367497039.db2.gz UNHKZKRAMGOFPV-SNVBAGLBSA-N 0 2 307.317 1.683 20 30 DDEDLN Cn1cc(S(=O)(=O)Nc2cccc(OCCCC#N)c2)cn1 ZINC000055639934 221458617 /nfs/dbraw/zinc/45/86/17/221458617.db2.gz NDARYPKWNKJYEX-UHFFFAOYSA-N 0 2 320.374 1.903 20 30 DDEDLN C=CCCCN(C)C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000073845987 406895972 /nfs/dbraw/zinc/89/59/72/406895972.db2.gz NSJQOIYUMAVNHL-UHFFFAOYSA-N 0 2 302.334 1.370 20 30 DDEDLN C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000106260374 407358624 /nfs/dbraw/zinc/35/86/24/407358624.db2.gz BVNYFYXQVHNWDH-OAHLLOKOSA-N 0 2 324.469 1.047 20 30 DDEDLN COc1cccc([C@H]2C[C@H]2C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 ZINC000106905160 407365430 /nfs/dbraw/zinc/36/54/30/407365430.db2.gz KEHIZDHJSVMFJY-VXGBXAGGSA-N 0 2 307.313 1.904 20 30 DDEDLN COc1ccc(F)cc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000132709500 407802486 /nfs/dbraw/zinc/80/24/86/407802486.db2.gz KMTCNMHGFZVBEK-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN CN(C)c1cccc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000181098461 407955973 /nfs/dbraw/zinc/95/59/73/407955973.db2.gz XGQRRNZAJHPCSB-UHFFFAOYSA-N 0 2 302.359 1.820 20 30 DDEDLN CC[C@@]1(C)CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)CCO1 ZINC000135328395 408004901 /nfs/dbraw/zinc/00/49/01/408004901.db2.gz PZLZDBJBEFYZSA-HNNXBMFYSA-N 0 2 321.402 1.610 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1nn(C)cc1C(=O)OCC ZINC000291942283 408949792 /nfs/dbraw/zinc/94/97/92/408949792.db2.gz YJFIMFVMRDYVGP-UHFFFAOYSA-N 0 2 301.368 1.305 20 30 DDEDLN Cn1ncc2c1[nH]cc(C(=O)NCCc1cccc(C#N)c1)c2=O ZINC000341514032 164082263 /nfs/dbraw/zinc/08/22/63/164082263.db2.gz PLRIIKSCJMFQTN-UHFFFAOYSA-N 0 2 321.340 1.518 20 30 DDEDLN C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000290719065 409497592 /nfs/dbraw/zinc/49/75/92/409497592.db2.gz UVDLUNPYQHHTHX-JTQLQIEISA-N 0 2 317.374 1.922 20 30 DDEDLN C/C=C\C[C@@H](CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000354179657 409725197 /nfs/dbraw/zinc/72/51/97/409725197.db2.gz DQYROMMHYCWCBM-XOULXFPDSA-N 0 2 307.375 1.438 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)Nc2cc(C)nn2C)cc1C#N ZINC000349820219 409912086 /nfs/dbraw/zinc/91/20/86/409912086.db2.gz MQLFXWSMEQIQKU-UHFFFAOYSA-N 0 2 303.347 1.675 20 30 DDEDLN Cc1nn(C)c2nc(C)cc(C(=O)[C@@H](C#N)c3ccncn3)c12 ZINC000354463969 409876262 /nfs/dbraw/zinc/87/62/62/409876262.db2.gz JSUYOTMLIUYXQT-LBPRGKRZSA-N 0 2 306.329 1.865 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cccc(Nc3cnn(C)c3)c2)c1C#N ZINC000357235807 409949569 /nfs/dbraw/zinc/94/95/69/409949569.db2.gz XAPPLHFNSZFIJK-UHFFFAOYSA-N 0 2 321.344 2.319 20 30 DDEDLN CCn1ncc(C#N)c1NS(=O)(=O)c1ccc(N(C)C)nc1 ZINC000357375687 409999277 /nfs/dbraw/zinc/99/92/77/409999277.db2.gz VJKRFCBPUIBNDC-UHFFFAOYSA-N 0 2 320.378 1.036 20 30 DDEDLN Cc1cc(N=C([O-])C2([NH+]3CCOCC3)CCC2)cn(C)c1=O ZINC000329337116 410240446 /nfs/dbraw/zinc/24/04/46/410240446.db2.gz POPYXUNYIIOIJA-UHFFFAOYSA-N 0 2 305.378 1.537 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC(C)(C)CCCO)cc1C#N ZINC000357997151 410337245 /nfs/dbraw/zinc/33/72/45/410337245.db2.gz UYQRYPHBXCLSCN-UHFFFAOYSA-N 0 2 323.418 1.909 20 30 DDEDLN CCN=C1NC(=O)C(CC(=O)Nc2ccc(C(C)=O)cc2)S1 ZINC000298758408 410387154 /nfs/dbraw/zinc/38/71/54/410387154.db2.gz WGKPVVQYXDVBJF-GFCCVEGCSA-N 0 2 319.386 1.825 20 30 DDEDLN CCN=C1NC(=O)[C@@H](CC(=O)Nc2ccc(C(C)=O)cc2)S1 ZINC000298758408 410387163 /nfs/dbraw/zinc/38/71/63/410387163.db2.gz WGKPVVQYXDVBJF-GFCCVEGCSA-N 0 2 319.386 1.825 20 30 DDEDLN N#Cc1ccccc1-c1ccccc1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000358359755 410453962 /nfs/dbraw/zinc/45/39/62/410453962.db2.gz RUULOGWBHPGHCM-UHFFFAOYSA-N 0 2 319.324 1.979 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCCC2=O)cc1C#N ZINC000330044945 410526714 /nfs/dbraw/zinc/52/67/14/410526714.db2.gz DDGXTDJWPXBJCC-QMMMGPOBSA-N 0 2 305.359 1.480 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC[C@@H](O)C(C)C)cc1C#N ZINC000359457185 410672333 /nfs/dbraw/zinc/67/23/33/410672333.db2.gz HYJCEWFJFMPUEX-LLVKDONJSA-N 0 2 309.391 1.518 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@](C)(O)C2)cc1C#N ZINC000347616061 410633533 /nfs/dbraw/zinc/63/35/33/410633533.db2.gz FMHVCEMAHZVPEA-CQSZACIVSA-N 0 2 307.375 1.368 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccnc(N3CCCCC3)n2)[nH]c1C#N ZINC000352416050 410654151 /nfs/dbraw/zinc/65/41/51/410654151.db2.gz RGZVHUVTNKDDIL-UHFFFAOYSA-N 0 2 322.332 1.186 20 30 DDEDLN N#CC1(F)CCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000359475276 410682808 /nfs/dbraw/zinc/68/28/08/410682808.db2.gz RHYIIFVPKJJSTH-UHFFFAOYSA-N 0 2 316.292 1.498 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cccc2nccnc21 ZINC000359724674 410838158 /nfs/dbraw/zinc/83/81/58/410838158.db2.gz MQVIPFNWGFLYHW-UHFFFAOYSA-N 0 2 304.313 2.354 20 30 DDEDLN CN=c1[nH]nc(CC(=O)N[C@@H](C#N)c2ccccc2F)s1 ZINC000353691316 411110941 /nfs/dbraw/zinc/11/09/41/411110941.db2.gz NUEDINSELRCWJE-JTQLQIEISA-N 0 2 305.338 1.642 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3cnn(C)c3C#N)nc21 ZINC000361721310 418702852 /nfs/dbraw/zinc/70/28/52/418702852.db2.gz QPWUKQVFIMFKSA-VIFPVBQESA-N 0 2 305.301 1.362 20 30 DDEDLN COCc1cnc(NS(=O)(=O)c2cnc(C)c(C#N)c2)s1 ZINC000427791131 419734141 /nfs/dbraw/zinc/73/41/41/419734141.db2.gz WBMSFOYKHDORPE-UHFFFAOYSA-N 0 2 324.387 1.665 20 30 DDEDLN N#Cc1nccnc1NCc1nnc(COc2ccccc2)[nH]1 ZINC000302236598 230192966 /nfs/dbraw/zinc/19/29/66/230192966.db2.gz FZHLVUOINURIQH-UHFFFAOYSA-N 0 2 307.317 1.657 20 30 DDEDLN CO[C@H]1C[C@@H](NC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1(C)C ZINC000440136377 420556262 /nfs/dbraw/zinc/55/62/62/420556262.db2.gz MVGPBRKAOCBBBO-MNOVXSKESA-N 0 2 321.402 1.924 20 30 DDEDLN CC1(c2nc(=NC(=O)[C@H](O)c3ccc(C#N)cc3)s[nH]2)CC1 ZINC000529699525 421552410 /nfs/dbraw/zinc/55/24/10/421552410.db2.gz RRKOOVSINBWURN-LLVKDONJSA-N 0 2 314.370 1.555 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H](CO)C(C)C)cc1C#N ZINC000345903754 272362313 /nfs/dbraw/zinc/36/23/13/272362313.db2.gz ZNHQDWJHJCBZTJ-JTQLQIEISA-N 0 2 309.391 1.375 20 30 DDEDLN COCc1cccc(S(=O)(=O)Nc2ccc(C#N)cn2)c1 ZINC000171812489 298236084 /nfs/dbraw/zinc/23/60/84/298236084.db2.gz ADANUZPKSZWAPU-UHFFFAOYSA-N 0 2 303.343 1.900 20 30 DDEDLN C#C[C@@H](CCC)NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000491635903 527257711 /nfs/dbraw/zinc/25/77/11/527257711.db2.gz UDSTVYXSASSHGU-VIFPVBQESA-N 0 2 300.318 1.276 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)c2cnnn2CC)n1 ZINC000345074696 528365711 /nfs/dbraw/zinc/36/57/11/528365711.db2.gz YSGSJJOSQOVIMB-MRVPVSSYSA-N 0 2 319.346 1.421 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cnnn2CC)n1 ZINC000345074696 528365715 /nfs/dbraw/zinc/36/57/15/528365715.db2.gz YSGSJJOSQOVIMB-MRVPVSSYSA-N 0 2 319.346 1.421 20 30 DDEDLN CCN(C[C@@H](C)C#N)C(=O)CN1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000331286949 528619393 /nfs/dbraw/zinc/61/93/93/528619393.db2.gz AFIMQZVNEWPYEO-NWDGAFQWSA-N 0 2 320.397 1.045 20 30 DDEDLN CC(C)[C@H](CCO)NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000331238797 528982116 /nfs/dbraw/zinc/98/21/16/528982116.db2.gz IMXSVVGOWNFWNI-VIFPVBQESA-N 0 2 300.428 1.990 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1cc(F)c(OC)cc1OC ZINC000416963477 529270565 /nfs/dbraw/zinc/27/05/65/529270565.db2.gz UZROPONXRKGFRF-QMMMGPOBSA-N 0 2 302.327 1.887 20 30 DDEDLN COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000818500731 601308821 /nfs/dbraw/zinc/30/88/21/601308821.db2.gz ZHQLBOQXDSDVAL-AWEZNQCLSA-N 0 2 302.330 1.569 20 30 DDEDLN C[C@@H](CC(=O)[O-])C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000827263334 602072883 /nfs/dbraw/zinc/07/28/83/602072883.db2.gz PLYKXWWQKJTTRP-ZDUSSCGKSA-N 0 2 315.373 1.313 20 30 DDEDLN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000738620849 602823440 /nfs/dbraw/zinc/82/34/40/602823440.db2.gz ZEGZENWATRIAFE-WFASDCNBSA-N 0 2 310.398 1.115 20 30 DDEDLN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000738620849 602823441 /nfs/dbraw/zinc/82/34/41/602823441.db2.gz ZEGZENWATRIAFE-WFASDCNBSA-N 0 2 310.398 1.115 20 30 DDEDLN COc1cc(C#N)ccc1OCC[N@@H+]1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739853528 603363920 /nfs/dbraw/zinc/36/39/20/603363920.db2.gz USVWLEZWGRFFMC-GFCCVEGCSA-N 0 2 319.361 1.630 20 30 DDEDLN COc1cc(C#N)ccc1OCC[N@H+]1CCN(C(=O)[O-])[C@H](C)C1 ZINC000739853528 603363924 /nfs/dbraw/zinc/36/39/24/603363924.db2.gz USVWLEZWGRFFMC-GFCCVEGCSA-N 0 2 319.361 1.630 20 30 DDEDLN CC(C)[C@@H]1N(c2[nH]c(=O)n(C)c(=O)c2C#N)CC12CC=CC2 ZINC001120858002 782190560 /nfs/dbraw/zinc/19/05/60/782190560.db2.gz SORGJKVZTBPQFQ-LBPRGKRZSA-N 0 2 300.362 1.126 20 30 DDEDLN COC1CCC(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CC1 ZINC000134124842 696834138 /nfs/dbraw/zinc/83/41/38/696834138.db2.gz KJYQUHQLBBPHFV-WXRRBKDZSA-N 0 2 303.362 1.907 20 30 DDEDLN Cn1c(=O)c2ccc(C(=O)OC(C)(C)C#N)cc2[nH]c1=S ZINC000181836024 697465262 /nfs/dbraw/zinc/46/52/62/697465262.db2.gz RETVOIRNKWURMJ-UHFFFAOYSA-N 0 2 303.343 1.681 20 30 DDEDLN C=CCN(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000188823042 697565153 /nfs/dbraw/zinc/56/51/53/697565153.db2.gz GPIQGXJQLPRMMR-UHFFFAOYSA-N 0 2 303.387 1.963 20 30 DDEDLN Cc1cccc2[nH]c([C@H](C#N)C(=O)Cn3ccc([N+](=O)[O-])n3)nc21 ZINC000735793490 699702953 /nfs/dbraw/zinc/70/29/53/699702953.db2.gz UEZKCAUNACHLEF-SNVBAGLBSA-N 0 2 324.300 1.853 20 30 DDEDLN Cc1cccc2nc([C@H](C#N)C(=O)Cn3ccc([N+](=O)[O-])n3)[nH]c21 ZINC000735793490 699702955 /nfs/dbraw/zinc/70/29/55/699702955.db2.gz UEZKCAUNACHLEF-SNVBAGLBSA-N 0 2 324.300 1.853 20 30 DDEDLN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCCc1cnn[nH]1 ZINC000741748653 699850562 /nfs/dbraw/zinc/85/05/62/699850562.db2.gz MQNHNWPBGMDILO-UHFFFAOYSA-N 0 2 315.333 1.112 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H](C)CC(=O)OC)n1 ZINC000758514965 700709733 /nfs/dbraw/zinc/70/97/33/700709733.db2.gz DILHRUWDTLMWHQ-IUCAKERBSA-N 0 2 324.358 1.695 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)[C@@H](C)CC(=O)OC)n1 ZINC000758514965 700709734 /nfs/dbraw/zinc/70/97/34/700709734.db2.gz DILHRUWDTLMWHQ-IUCAKERBSA-N 0 2 324.358 1.695 20 30 DDEDLN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)C(F)C(F)(F)F ZINC000764510130 700974575 /nfs/dbraw/zinc/97/45/75/700974575.db2.gz VWBQMKXBJQRBCT-RFZPGFLSSA-N 0 2 310.169 1.166 20 30 DDEDLN O=C(N[C@@H]1CCN(CC(F)(F)F)C1=O)[C@@H](F)C(F)(F)F ZINC000764510130 700974577 /nfs/dbraw/zinc/97/45/77/700974577.db2.gz VWBQMKXBJQRBCT-RFZPGFLSSA-N 0 2 310.169 1.166 20 30 DDEDLN Cc1cnc(N)c(S(=O)(=O)Nc2cc(C#N)ccc2O)c1 ZINC000766895218 701069209 /nfs/dbraw/zinc/06/92/09/701069209.db2.gz AWULNYINVJBHNZ-UHFFFAOYSA-N 0 2 304.331 1.350 20 30 DDEDLN COCCCNC(=O)C(C#N)=C([O-])c1c[nH+]c2n1[C@@H](C)CCC2 ZINC000845440449 703157244 /nfs/dbraw/zinc/15/72/44/703157244.db2.gz RKSWHCSGEXWPRM-RYUDHWBXSA-N 0 2 318.377 1.256 20 30 DDEDLN CO[C@@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C1CCCCC1 ZINC000850899797 703763060 /nfs/dbraw/zinc/76/30/60/703763060.db2.gz WNMNTFHYRVYARW-IUODEOHRSA-N 0 2 303.362 1.907 20 30 DDEDLN C#CCCCOc1cccnc1NCCCc1n[nH]c(=O)[nH]1 ZINC000853397598 704238250 /nfs/dbraw/zinc/23/82/50/704238250.db2.gz RCSDZUUAUSRKMW-UHFFFAOYSA-N 0 2 301.350 1.742 20 30 DDEDLN C[C@H](CC#N)N(C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000859194096 704817510 /nfs/dbraw/zinc/81/75/10/704817510.db2.gz JDWBMBDWGPJJND-MRVPVSSYSA-N 0 2 317.267 1.832 20 30 DDEDLN Cc1nc(SCC(=O)NOC(C)(C)CO)c(C#N)c(C)c1C ZINC000836799221 707517208 /nfs/dbraw/zinc/51/72/08/707517208.db2.gz DOIWWNXWLWQYJU-UHFFFAOYSA-N 0 2 323.418 1.789 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000910196526 709807902 /nfs/dbraw/zinc/80/79/02/709807902.db2.gz ALGYLFVXSZMMGD-HNNXBMFYSA-N 0 2 311.341 1.902 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2c(C(=O)[O-])c[nH]c2c1 ZINC000910196526 709807906 /nfs/dbraw/zinc/80/79/06/709807906.db2.gz ALGYLFVXSZMMGD-HNNXBMFYSA-N 0 2 311.341 1.902 20 30 DDEDLN COC[C@H](C)NC(=S)NN=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000916280511 713449491 /nfs/dbraw/zinc/44/94/91/713449491.db2.gz ATJYPQKRLSOGRT-QMMMGPOBSA-N 0 2 312.351 1.133 20 30 DDEDLN O=C1NC(=O)C(=NNc2ccccc2Cc2ccccc2)C(=O)N1 ZINC000921205285 713721412 /nfs/dbraw/zinc/72/14/12/713721412.db2.gz GJWXEHFKJQQBJI-UHFFFAOYSA-N 0 2 322.324 1.411 20 30 DDEDLN C#CC[N@H+]1CCC[C@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000923559408 714402667 /nfs/dbraw/zinc/40/26/67/714402667.db2.gz MKLKELOWBUWGKL-AWEZNQCLSA-N 0 2 324.384 1.405 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H](NC(=O)c2nn(-c3ccccc3)cc2[O-])C1 ZINC000923559408 714402668 /nfs/dbraw/zinc/40/26/68/714402668.db2.gz MKLKELOWBUWGKL-AWEZNQCLSA-N 0 2 324.384 1.405 20 30 DDEDLN C=CCCC[N@@H+](CC)CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000934645856 714870012 /nfs/dbraw/zinc/87/00/12/714870012.db2.gz KBISFZOPMSTVAO-UHFFFAOYSA-N 0 2 311.470 1.502 20 30 DDEDLN C#CC[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC000947333478 719125487 /nfs/dbraw/zinc/12/54/87/719125487.db2.gz FNXFQBQELPAINS-GJZGRUSLSA-N 0 2 314.433 1.364 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC001023570299 735317342 /nfs/dbraw/zinc/31/73/42/735317342.db2.gz BAEAMNXKULSYIZ-NSHDSACASA-N 0 2 312.801 1.320 20 30 DDEDLN C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)C(F)C(F)(F)F ZINC001104847858 737277800 /nfs/dbraw/zinc/27/78/00/737277800.db2.gz OXMYVCFTFGCVMH-OIBJUYFYSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CNc1cncc(C#N)n1)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001104847858 737277803 /nfs/dbraw/zinc/27/78/03/737277803.db2.gz OXMYVCFTFGCVMH-OIBJUYFYSA-N 0 2 319.262 1.507 20 30 DDEDLN C#CC[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001028715302 739946215 /nfs/dbraw/zinc/94/62/15/739946215.db2.gz BITWLSSTBXBVIA-OAHLLOKOSA-N 0 2 308.385 1.557 20 30 DDEDLN CN(CCN(C)c1cnc(C#N)cn1)C(=O)C(F)C(F)(F)F ZINC001105589093 742133622 /nfs/dbraw/zinc/13/36/22/742133622.db2.gz ICKQBDSKQIDLCT-SNVBAGLBSA-N 0 2 319.262 1.143 20 30 DDEDLN CN(CCN(C)c1cnc(C#N)cn1)C(=O)[C@@H](F)C(F)(F)F ZINC001105589093 742133623 /nfs/dbraw/zinc/13/36/23/742133623.db2.gz ICKQBDSKQIDLCT-SNVBAGLBSA-N 0 2 319.262 1.143 20 30 DDEDLN Cc1cccc2[nH]cc(CCNc3[nH]c(=O)n(C)c(=O)c3C#N)c21 ZINC001185264335 744193033 /nfs/dbraw/zinc/19/30/33/744193033.db2.gz WUSQQZSEYOLCFL-UHFFFAOYSA-N 0 2 323.356 1.390 20 30 DDEDLN N#Cc1cnccc1NC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001110375232 744347530 /nfs/dbraw/zinc/34/75/30/744347530.db2.gz AWQIIPCRLMKHTM-JTQLQIEISA-N 0 2 316.258 1.336 20 30 DDEDLN N#Cc1cnccc1NC1(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001110375232 744347534 /nfs/dbraw/zinc/34/75/34/744347534.db2.gz AWQIIPCRLMKHTM-JTQLQIEISA-N 0 2 316.258 1.336 20 30 DDEDLN Cc1ccc(-c2nc(Cn3c(=O)[nH]cc(C#N)c3=O)cs2)o1 ZINC001189567883 744925817 /nfs/dbraw/zinc/92/58/17/744925817.db2.gz YTVOBJUEHDDJMI-UHFFFAOYSA-N 0 2 314.326 1.482 20 30 DDEDLN N#C[C@H]1CN(C(=O)Nc2cccc3nsnc32)CCC1=O ZINC001190292476 745179502 /nfs/dbraw/zinc/17/95/02/745179502.db2.gz APRHEQPTJDMTAF-QMMMGPOBSA-N 0 2 301.331 1.638 20 30 DDEDLN N#Cc1ccc(F)c(S(=O)(=O)Nc2ccnc(C#N)c2)c1 ZINC001190616414 745259516 /nfs/dbraw/zinc/25/95/16/745259516.db2.gz PPDAMFHDNGDPAJ-UHFFFAOYSA-N 0 2 302.290 1.187 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)C(Cl)(Cl)Cl)CCC1=O ZINC001192019482 745675600 /nfs/dbraw/zinc/67/56/00/745675600.db2.gz GSHSCTIOURSDHJ-YFKPBYRVSA-N 0 2 305.570 1.058 20 30 DDEDLN CC(C)C[C@H](NC(=O)c1c(F)ccc(F)c1O)C(=O)NO ZINC001192717955 745879234 /nfs/dbraw/zinc/87/92/34/745879234.db2.gz LXIFNDOSLRBKHI-VIFPVBQESA-N 0 2 302.277 1.320 20 30 DDEDLN COc1ncccc1S(=O)(=O)Nc1ccc(CC#N)cc1 ZINC001194705237 746432582 /nfs/dbraw/zinc/43/25/82/746432582.db2.gz GETOWEXAVLBUJD-UHFFFAOYSA-N 0 2 303.343 1.957 20 30 DDEDLN Cc1cc2n(n1)c(=O)cc(C)n2C(=O)c1ccc(C#N)cc1O ZINC001195741154 746696614 /nfs/dbraw/zinc/69/66/14/746696614.db2.gz IGIKBHRYUITMQS-UHFFFAOYSA-N 0 2 308.297 1.379 20 30 DDEDLN Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)C(F)C(F)(F)F)n1 ZINC001108170926 753346033 /nfs/dbraw/zinc/34/60/33/753346033.db2.gz SAZZBLQWNZSWPS-APPZFPTMSA-N 0 2 319.262 1.474 20 30 DDEDLN Cc1cc(C#N)nc(NC[C@@H](C)NC(=O)[C@H](F)C(F)(F)F)n1 ZINC001108170926 753346035 /nfs/dbraw/zinc/34/60/35/753346035.db2.gz SAZZBLQWNZSWPS-APPZFPTMSA-N 0 2 319.262 1.474 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)C(F)C(F)(F)F)C2)C1 ZINC001019090241 759577051 /nfs/dbraw/zinc/57/70/51/759577051.db2.gz FLIGSGBBAPRBFG-BDAKNGLRSA-N 0 2 321.274 1.107 20 30 DDEDLN C[C@H](C#N)C(=O)N1CCC2(CN(C(=O)[C@H](F)C(F)(F)F)C2)C1 ZINC001019090241 759577059 /nfs/dbraw/zinc/57/70/59/759577059.db2.gz FLIGSGBBAPRBFG-BDAKNGLRSA-N 0 2 321.274 1.107 20 30 DDEDLN C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)C(F)C(F)(F)F ZINC001067598995 766624050 /nfs/dbraw/zinc/62/40/50/766624050.db2.gz KUHVWOVFIUOYNA-BDAKNGLRSA-N 0 2 311.279 1.353 20 30 DDEDLN C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@H](F)C(F)(F)F ZINC001067598995 766624056 /nfs/dbraw/zinc/62/40/56/766624056.db2.gz KUHVWOVFIUOYNA-BDAKNGLRSA-N 0 2 311.279 1.353 20 30 DDEDLN C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cnc2[nH]ccc21 ZINC001171068459 772218474 /nfs/dbraw/zinc/21/84/74/772218474.db2.gz YMQMWWPSYADNRI-LBPRGKRZSA-N 0 2 303.366 1.548 20 30 DDEDLN N#CCCCCC(=O)N[C@H](Cc1ccccc1)c1n[nH]c(=O)[nH]1 ZINC001171151740 772445278 /nfs/dbraw/zinc/44/52/78/772445278.db2.gz JDPJCZWYZSAXFG-CYBMUJFWSA-N 0 2 313.361 1.994 20 30 DDEDLN N#CCNC[C@]12CCC[C@H]1CN(C(=O)C(F)C(F)(F)F)C2 ZINC001112360641 779736530 /nfs/dbraw/zinc/73/65/30/779736530.db2.gz CIWDGAXCHLHQJM-UMNHJUIQSA-N 0 2 307.291 1.629 20 30 DDEDLN N#CCNC[C@]12CCC[C@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001112360641 779736536 /nfs/dbraw/zinc/73/65/36/779736536.db2.gz CIWDGAXCHLHQJM-UMNHJUIQSA-N 0 2 307.291 1.629 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@H]1CCCN(Cc2n[nH]c(=O)[nH]2)C1 ZINC001268216541 839850902 /nfs/dbraw/zinc/85/09/02/839850902.db2.gz KHAQSMSBXYFXGI-NSHDSACASA-N 0 2 307.398 1.193 20 30 DDEDLN Cc1cc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)ccc1C(N)=O ZINC001412523782 854661093 /nfs/dbraw/zinc/66/10/93/854661093.db2.gz AHSDXANHPOQFIR-UHFFFAOYSA-N 0 2 310.313 1.627 20 30 DDEDLN CCn1ccnc1NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC001413082381 856383992 /nfs/dbraw/zinc/38/39/92/856383992.db2.gz GGNFVXCDMVIRCI-UHFFFAOYSA-N 0 2 303.347 1.849 20 30 DDEDLN COC(=O)C1(C#N)CCN(Cc2c(F)ccc(F)c2O)CC1 ZINC001139690349 860453249 /nfs/dbraw/zinc/45/32/49/860453249.db2.gz VLPKUQLWZWJFOJ-UHFFFAOYSA-N 0 2 310.300 1.949 20 30 DDEDLN COC(=O)C1(C#N)CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139690349 860453254 /nfs/dbraw/zinc/45/32/54/860453254.db2.gz VLPKUQLWZWJFOJ-UHFFFAOYSA-N 0 2 310.300 1.949 20 30 DDEDLN COC(=O)n1ncc(C#N)c1Nc1nc(OC)c(C#N)cc1F ZINC001158970972 865007940 /nfs/dbraw/zinc/00/79/40/865007940.db2.gz BBVONCQSNMVFAD-UHFFFAOYSA-N 0 2 316.252 1.527 20 30 DDEDLN Cn1cc(N2CC[C@H](/N=C\c3cc([N+](=O)[O-])ccc3O)C2)cn1 ZINC001322956222 866214985 /nfs/dbraw/zinc/21/49/85/866214985.db2.gz ZLENISFSHYOYDY-VQZCYCSMSA-N 0 2 315.333 1.732 20 30 DDEDLN Cn1c(=O)[nH]c(NCCc2ccc3[nH]ccc3c2)c(C#N)c1=O ZINC001163132943 868141430 /nfs/dbraw/zinc/14/14/30/868141430.db2.gz MYPQUCYIDWVGTC-UHFFFAOYSA-N 0 2 309.329 1.081 20 30 DDEDLN C#CCN(C)c1nnc(-c2ccc(O)c([N+](=O)[O-])c2)n1CC ZINC001339651400 870605244 /nfs/dbraw/zinc/60/52/44/870605244.db2.gz DXEVRHHFSVFZAO-UHFFFAOYSA-N 0 2 301.306 1.648 20 30 DDEDLN C#C[C@@H]1CCCN(c2nnc(-c3n[nH]c(Cl)n3)n2CC=C)C1 ZINC001339880609 870758961 /nfs/dbraw/zinc/75/89/61/870758961.db2.gz UQKHYJKBIFGQIO-SNVBAGLBSA-N 0 2 317.784 1.752 20 30 DDEDLN CC(C)(O)[C@H](Oc1ccccc1)C(=O)n1ncc(C#N)c1N ZINC001301624543 871008948 /nfs/dbraw/zinc/00/89/48/871008948.db2.gz FHGQWWAWHWYYIL-GFCCVEGCSA-N 0 2 300.318 1.196 20 30 DDEDLN Cc1ccc2oc(C(=O)Cn3c(=O)[nH]cc(C#N)c3=O)cc2c1 ZINC001307359657 871426053 /nfs/dbraw/zinc/42/60/53/871426053.db2.gz NMSJDRNZYAZTNB-UHFFFAOYSA-N 0 2 309.281 1.346 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCc1ccc2c(c1)CCO2 ZINC001343310880 872572918 /nfs/dbraw/zinc/57/29/18/872572918.db2.gz CONYDJUZHYRIPG-AWEZNQCLSA-N 0 2 323.352 1.879 20 30 DDEDLN C=CCOC[C@@H](CS(=O)(=O)[O-])Oc1c(C)cc[nH+]c1C ZINC001227263307 882940994 /nfs/dbraw/zinc/94/09/94/882940994.db2.gz DCHAAMAXZZSXMO-LBPRGKRZSA-N 0 2 301.364 1.536 20 30 DDEDLN C#C[C@@H](C)N(C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC=C ZINC001351545656 876316369 /nfs/dbraw/zinc/31/63/69/876316369.db2.gz XZPSHOJDTWTWEI-LLVKDONJSA-N 0 2 300.366 1.511 20 30 DDEDLN C#CCCCC(=O)N1CC[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001352852832 876969261 /nfs/dbraw/zinc/96/92/61/876969261.db2.gz DNDRUCRVKZMLMA-GXSJLCMTSA-N 0 2 308.275 1.407 20 30 DDEDLN C#CCCCC(=O)N1CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001352852832 876969268 /nfs/dbraw/zinc/96/92/68/876969268.db2.gz DNDRUCRVKZMLMA-GXSJLCMTSA-N 0 2 308.275 1.407 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)c2nncs2)cc1C#N ZINC001362558584 884093070 /nfs/dbraw/zinc/09/30/70/884093070.db2.gz AURILRSWYCFXBJ-UHFFFAOYSA-N 0 2 307.360 1.509 20 30 DDEDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(Cl)cn1 ZINC001364173178 888075840 /nfs/dbraw/zinc/07/58/40/888075840.db2.gz AOFPBQIDGXXJJD-ZETCQYMHSA-N 0 2 305.725 1.167 20 30 DDEDLN C=CCN1C(=O)CC[C@]12CCCN(Cc1nc[nH]n1)[C@@H]2CC ZINC001237600230 889738525 /nfs/dbraw/zinc/73/85/25/889738525.db2.gz PMUGWODWOVGNFG-CJNGLKHVSA-N 0 2 303.410 1.726 20 30 DDEDLN C=CCN1C(=O)CC[C@]12CCCN(Cc1nnc[nH]1)[C@@H]2CC ZINC001237600230 889738534 /nfs/dbraw/zinc/73/85/34/889738534.db2.gz PMUGWODWOVGNFG-CJNGLKHVSA-N 0 2 303.410 1.726 20 30 DDEDLN C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(Cl)c(F)c1 ZINC001365227269 890391427 /nfs/dbraw/zinc/39/14/27/890391427.db2.gz XBCSEXDTEJVANL-ZETCQYMHSA-N 0 2 322.727 1.911 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1nnn(C(C)C)n1 ZINC001365739306 891429260 /nfs/dbraw/zinc/42/92/60/891429260.db2.gz HXMWAVNNZSTDEE-UHFFFAOYSA-N 0 2 306.351 1.235 20 30 DDEDLN N#Cc1cncc(NS(=O)(=O)CCc2ccc(F)cc2)n1 ZINC001259754963 898783365 /nfs/dbraw/zinc/78/33/65/898783365.db2.gz OCEHFQPRIFWRRE-UHFFFAOYSA-N 0 2 306.322 1.472 20 30 DDEDLN C=CCS(=O)(=O)Nc1c2nccnc2sc1C(=O)OC ZINC001259922654 898935966 /nfs/dbraw/zinc/93/59/66/898935966.db2.gz FBFHFNMXQNBLOK-UHFFFAOYSA-N 0 2 313.360 1.406 20 30 DDEDLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc(F)c(C#N)c(F)c1 ZINC001261031152 899332207 /nfs/dbraw/zinc/33/22/07/899332207.db2.gz UOEXNYCVRRBADO-UHFFFAOYSA-N 0 2 312.301 1.977 20 30 DDEDLN CC(C)[C@@H]1C[C@@H](C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CCO1 ZINC001263414111 900605349 /nfs/dbraw/zinc/60/53/49/900605349.db2.gz QSDJLFRLVHYWGA-AVGNSLFASA-N 0 2 303.362 1.763 20 30 DDEDLN CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001281767054 905207395 /nfs/dbraw/zinc/20/73/95/905207395.db2.gz ZOZKIEFHZNEXGE-CKYFFXLPSA-N 0 2 322.302 1.509 20 30 DDEDLN CC(C)C#CC(=O)N1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001281767054 905207408 /nfs/dbraw/zinc/20/74/08/905207408.db2.gz ZOZKIEFHZNEXGE-CKYFFXLPSA-N 0 2 322.302 1.509 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1(NC(=O)C(F)C(F)(F)F)CCCC1 ZINC001375296444 915507725 /nfs/dbraw/zinc/50/77/25/915507725.db2.gz UAUVTQLRIXJWGM-RKDXNWHRSA-N 0 2 323.290 1.592 20 30 DDEDLN C[C@H](C#N)C(=O)NCC1(NC(=O)[C@@H](F)C(F)(F)F)CCCC1 ZINC001375296444 915507736 /nfs/dbraw/zinc/50/77/36/915507736.db2.gz UAUVTQLRIXJWGM-RKDXNWHRSA-N 0 2 323.290 1.592 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC[C@H]1CCCNC(=O)c1[nH]ncc1F ZINC001295980353 916163509 /nfs/dbraw/zinc/16/35/09/916163509.db2.gz PDPCYUGYZYRZSG-WDEREUQCSA-N 0 2 321.356 1.209 20 30 DDEDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC[C@@H](C)C#N)=N1 ZINC000080481289 192160965 /nfs/dbraw/zinc/16/09/65/192160965.db2.gz MLXPJLFIXGGFKP-VIFPVBQESA-N 0 2 302.309 1.915 20 30 DDEDLN N#Cc1cc2cccnc2nc1N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000596226131 356822867 /nfs/dbraw/zinc/82/28/67/356822867.db2.gz WJOXWMFQPPJVLN-UHFFFAOYSA-N 0 2 321.344 1.709 20 30 DDEDLN N#Cc1cccc(S(=O)(=O)Nc2cnn3c2CCCC3)c1 ZINC000601979952 358764767 /nfs/dbraw/zinc/76/47/67/358764767.db2.gz VCXDQFNVTJHRLG-UHFFFAOYSA-N 0 2 302.359 1.892 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@H]3CC[C@@H](C2)O3)cc1C#N ZINC000601830719 358707756 /nfs/dbraw/zinc/70/77/56/358707756.db2.gz ZXYURNUTFANNAR-AOOOYVTPSA-N 0 2 305.359 1.384 20 30 DDEDLN CO[C@@]1(CNC(=O)c2cc(F)c(F)c(O)c2F)CCOC1 ZINC000330895149 223151871 /nfs/dbraw/zinc/15/18/71/223151871.db2.gz KKWRHKKINHCDSS-CYBMUJFWSA-N 0 2 305.252 1.920 20 30 DDEDLN C=CCNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl ZINC000112472437 194477334 /nfs/dbraw/zinc/47/73/34/194477334.db2.gz BKGFSCZYOZDGBF-UHFFFAOYSA-N 0 2 322.752 1.110 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)[nH]c1C#N ZINC000154961515 408109560 /nfs/dbraw/zinc/10/95/60/408109560.db2.gz SQPCJPAKCFYCJP-UHFFFAOYSA-N 0 2 322.259 1.386 20 30 DDEDLN Cn1cc(CNC(=O)[C@H](F)C(F)(F)F)c(C(F)(F)F)n1 ZINC000291366128 408864990 /nfs/dbraw/zinc/86/49/90/408864990.db2.gz UJTPNTUIKGFVFM-YFKPBYRVSA-N 0 2 307.169 1.956 20 30 DDEDLN Cn1cc(CNC(=O)C(F)C(F)(F)F)c(C(F)(F)F)n1 ZINC000291366128 408864996 /nfs/dbraw/zinc/86/49/96/408864996.db2.gz UJTPNTUIKGFVFM-YFKPBYRVSA-N 0 2 307.169 1.956 20 30 DDEDLN C=CCN1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1=O ZINC000281868918 408944612 /nfs/dbraw/zinc/94/46/12/408944612.db2.gz ZHHSGMJBUGQJCG-LBPRGKRZSA-N 0 2 319.317 1.159 20 30 DDEDLN C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1OCC(=O)OC ZINC000295078923 409314362 /nfs/dbraw/zinc/31/43/62/409314362.db2.gz SXFRVQYVIQXOOP-OAHLLOKOSA-N 0 2 318.417 1.844 20 30 DDEDLN CC(C)n1cc(C#N)c(NS(=O)(=O)N2CCCCCC2)n1 ZINC000345221172 409664020 /nfs/dbraw/zinc/66/40/20/409664020.db2.gz UAZZETRLMAEOBW-UHFFFAOYSA-N 0 2 311.411 1.868 20 30 DDEDLN COc1ccc(O[C@H](C)C(=O)N=c2[nH][nH]c(C)c2C#N)cc1 ZINC000357264252 409953659 /nfs/dbraw/zinc/95/36/59/409953659.db2.gz VNFWNQVZWPTFIT-SNVBAGLBSA-N 0 2 300.318 2.004 20 30 DDEDLN CCOCCOc1ccccc1C(=O)N=c1[nH][nH]c(C)c1C#N ZINC000357229131 409949499 /nfs/dbraw/zinc/94/94/99/409949499.db2.gz ILWADULHEZWVIW-UHFFFAOYSA-N 0 2 314.345 2.257 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1cc2ccccc2c(=O)o1 ZINC000359726183 410837793 /nfs/dbraw/zinc/83/77/93/410837793.db2.gz QJOIDZAKHWVHJO-UHFFFAOYSA-N 0 2 320.308 2.517 20 30 DDEDLN CC[C@H](C)/N=C1/NC(=O)[C@H](CC(=O)NCC(F)(F)F)S1 ZINC000195215685 222192706 /nfs/dbraw/zinc/19/27/06/222192706.db2.gz GTXNTJBOYGSCIC-BQBZGAKWSA-N 0 2 311.329 1.441 20 30 DDEDLN N#CCN1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000267177584 222376604 /nfs/dbraw/zinc/37/66/04/222376604.db2.gz NGKNMGGKYQQRFN-NSHDSACASA-N 0 2 318.333 1.266 20 30 DDEDLN C=CCC1(S(=O)(=O)[N-]C(=O)/C=C/c2cc[nH+]cc2C)CC1 ZINC000493614942 420897462 /nfs/dbraw/zinc/89/74/62/420897462.db2.gz IZLTUKHSBUBSMG-SNAWJCMRSA-N 0 2 306.387 1.958 20 30 DDEDLN CCn1cc[nH+]c1/C=C\C(=O)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000493553894 420880924 /nfs/dbraw/zinc/88/09/24/420880924.db2.gz PRUJAFYPMUIJLR-PLNGDYQASA-N 0 2 322.390 1.056 20 30 DDEDLN COc1cc(CNC(=O)c2cccc3[nH]nnc32)ccc1C#N ZINC000562931292 421426564 /nfs/dbraw/zinc/42/65/64/421426564.db2.gz UHURNRONCVYNTA-UHFFFAOYSA-N 0 2 307.313 1.768 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ncc(C#N)s1 ZINC000610725354 422472516 /nfs/dbraw/zinc/47/25/16/422472516.db2.gz YHFXQYCNXVWANK-UHFFFAOYSA-N 0 2 304.356 1.996 20 30 DDEDLN C=C(C)CS(=O)(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000655662144 424617410 /nfs/dbraw/zinc/61/74/10/424617410.db2.gz NZDQNXGZYQDVEG-ZJUUUORDSA-N 0 2 301.330 1.982 20 30 DDEDLN C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CCN1C1CC[NH+](C)CC1 ZINC000377679040 267053241 /nfs/dbraw/zinc/05/32/41/267053241.db2.gz OIIRDSYTYJHIDF-CQSZACIVSA-N 0 2 302.422 1.752 20 30 DDEDLN C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370711593 267053294 /nfs/dbraw/zinc/05/32/94/267053294.db2.gz XPLHHHDZMADZDH-PBHICJAKSA-N 0 2 302.422 1.609 20 30 DDEDLN C[C@H](C(=O)Nc1nc(C#N)c(C#N)[nH]1)n1cnc2ccccc21 ZINC000030647971 298196399 /nfs/dbraw/zinc/19/63/99/298196399.db2.gz SFOHSNDXIZHICK-SECBINFHSA-N 0 2 305.301 1.702 20 30 DDEDLN N#CC1(NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)CCC1 ZINC000272432527 303146891 /nfs/dbraw/zinc/14/68/91/303146891.db2.gz LKXYBKIAHNDYME-UHFFFAOYSA-N 0 2 300.293 1.893 20 30 DDEDLN N#C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CCN1C1CC1 ZINC000369219300 303161746 /nfs/dbraw/zinc/16/17/46/303161746.db2.gz DCCHXNCKLKFPAO-GFCCVEGCSA-N 0 2 316.317 1.113 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000051953579 303195296 /nfs/dbraw/zinc/19/52/96/303195296.db2.gz GUKKVVLAMZQTQH-UHFFFAOYSA-N 0 2 304.287 1.662 20 30 DDEDLN N#Cc1csc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000538832188 303391065 /nfs/dbraw/zinc/39/10/65/303391065.db2.gz XKBIJZNBBHCLGX-UHFFFAOYSA-N 0 2 303.347 1.463 20 30 DDEDLN COc1cc([C@H](C#N)NC(=O)C(C)C#N)cc(OC)c1OC ZINC000345250234 335311982 /nfs/dbraw/zinc/31/19/82/335311982.db2.gz PIKOPSPCFPRUMX-KOLCDFICSA-N 0 2 303.318 1.553 20 30 DDEDLN COc1cc([C@H](C#N)NC(=O)[C@H](C)C#N)cc(OC)c1OC ZINC000345250234 335311983 /nfs/dbraw/zinc/31/19/83/335311983.db2.gz PIKOPSPCFPRUMX-KOLCDFICSA-N 0 2 303.318 1.553 20 30 DDEDLN Cc1cc(=NC(=O)N=c2ccc(C3CC3)n[nH]2)[nH]n1CCC#N ZINC000527342526 335823427 /nfs/dbraw/zinc/82/34/27/335823427.db2.gz WKWJXGQFRFDVTK-UHFFFAOYSA-N 0 2 311.349 1.260 20 30 DDEDLN C=CCONC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C ZINC000495929436 339994991 /nfs/dbraw/zinc/99/49/91/339994991.db2.gz OUVBIUSBLQIYNE-GFCCVEGCSA-N 0 2 314.382 1.636 20 30 DDEDLN CC(C)(C)NC(=O)CNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000330838238 526299782 /nfs/dbraw/zinc/29/97/82/526299782.db2.gz XBOSNOZURNMFIY-UHFFFAOYSA-N 0 2 313.427 1.498 20 30 DDEDLN C#C[C@@H](C)N(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000491326241 527210383 /nfs/dbraw/zinc/21/03/83/527210383.db2.gz LHUOENIILAORBI-SNVBAGLBSA-N 0 2 315.398 1.799 20 30 DDEDLN CC(C)N1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000330615586 529058383 /nfs/dbraw/zinc/05/83/83/529058383.db2.gz UORAIEFFUCSNLO-LLVKDONJSA-N 0 2 307.306 1.614 20 30 DDEDLN CC(=O)NCC[N@H+](CC#Cc1ccc(Cl)cc1)[C@H](C)C(=O)[O-] ZINC000819770254 597676947 /nfs/dbraw/zinc/67/69/47/597676947.db2.gz LYUAVKZJLJMBBQ-GFCCVEGCSA-N 0 2 322.792 1.603 20 30 DDEDLN CC(=O)NCC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H](C)C(=O)[O-] ZINC000819770254 597676949 /nfs/dbraw/zinc/67/69/49/597676949.db2.gz LYUAVKZJLJMBBQ-GFCCVEGCSA-N 0 2 322.792 1.603 20 30 DDEDLN N#Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2)C(=O)[O-])cc1 ZINC000739107556 600595182 /nfs/dbraw/zinc/59/51/82/600595182.db2.gz RXPWUWDOEUKEOZ-MRXNPFEDSA-N 0 2 309.325 1.912 20 30 DDEDLN C[C@@H](CCNc1[nH+]cnc2c1cnn2CCC#N)NC(=O)[O-] ZINC000738907173 602483348 /nfs/dbraw/zinc/48/33/48/602483348.db2.gz LUPARSRSWBSILJ-VIFPVBQESA-N 0 2 303.326 1.198 20 30 DDEDLN CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824055265 603979493 /nfs/dbraw/zinc/97/94/93/603979493.db2.gz FOTAXKBBGSWNMI-DVOMOZLQSA-N 0 2 322.409 1.258 20 30 DDEDLN CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000824055265 603979495 /nfs/dbraw/zinc/97/94/95/603979495.db2.gz FOTAXKBBGSWNMI-DVOMOZLQSA-N 0 2 322.409 1.258 20 30 DDEDLN C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825341982 604619609 /nfs/dbraw/zinc/61/96/09/604619609.db2.gz ADABIEOATLNLHN-ZOWXZIJZSA-N 0 2 303.362 1.976 20 30 DDEDLN C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000825341982 604619611 /nfs/dbraw/zinc/61/96/11/604619611.db2.gz ADABIEOATLNLHN-ZOWXZIJZSA-N 0 2 303.362 1.976 20 30 DDEDLN Cc1oc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[O-])c(C#N)c1C ZINC000833934849 605763244 /nfs/dbraw/zinc/76/32/44/605763244.db2.gz NWLWIQVJYZAMMY-MRVPVSSYSA-N 0 2 308.338 1.295 20 30 DDEDLN Cc1oc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)[O-])c(C#N)c1C ZINC000833934849 605763248 /nfs/dbraw/zinc/76/32/48/605763248.db2.gz NWLWIQVJYZAMMY-MRVPVSSYSA-N 0 2 308.338 1.295 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2cccc(Cl)c2F)cn1 ZINC000747407195 700068469 /nfs/dbraw/zinc/06/84/69/700068469.db2.gz OJENGFXKHQGWFO-UHFFFAOYSA-N 0 2 314.729 2.000 20 30 DDEDLN CCOc1ccc(NC(=O)CC2S/C(=N/C)N(C)C2=O)cc1 ZINC000101613921 696608196 /nfs/dbraw/zinc/60/81/96/696608196.db2.gz AXDOGRGAWDHGIT-IUDBQGPFSA-N 0 2 321.402 1.974 20 30 DDEDLN C#C[C@H](NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O)C(C)C ZINC000799043898 700111600 /nfs/dbraw/zinc/11/16/00/700111600.db2.gz ICBUTQUENWOFFX-AWEZNQCLSA-N 0 2 313.357 1.974 20 30 DDEDLN N#Cc1cccc(C2(NC(=O)C[C@H]3SC(=N)NC3=O)CC2)c1 ZINC000749015254 700144212 /nfs/dbraw/zinc/14/42/12/700144212.db2.gz GYZZNZQKOPTEEH-LLVKDONJSA-N 0 2 314.370 1.220 20 30 DDEDLN C#C[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC=C)c2=O ZINC000185368528 697517410 /nfs/dbraw/zinc/51/74/10/697517410.db2.gz QEOLMYKOALCBLE-JTQLQIEISA-N 0 2 313.382 1.623 20 30 DDEDLN CC(C)(C)/N=C1/NC(=O)[C@H](CC(=O)NCC(F)(F)F)S1 ZINC000195215878 697735331 /nfs/dbraw/zinc/73/53/31/697735331.db2.gz MEIYXNXSXWWXLD-LURJTMIESA-N 0 2 311.329 1.441 20 30 DDEDLN O=[N+]([O-])c1ccc(C=NNC(=S)NCC2CCC2)cc1O ZINC000727652169 699420562 /nfs/dbraw/zinc/42/05/62/699420562.db2.gz FWQGXEGBHABTEW-UHFFFAOYSA-N 0 2 308.363 1.899 20 30 DDEDLN O=C(CC1S/C(=N/C2CC2)NC1=O)Nc1cccc(O)c1 ZINC000731357688 699527447 /nfs/dbraw/zinc/52/74/47/699527447.db2.gz NKUWWSDZKJDWQX-LLVKDONJSA-N 0 2 305.359 1.471 20 30 DDEDLN CCC(CC)CN(CCC#N)C(=O)C[C@@H]1SC(=N)NC1=O ZINC000742641300 699884506 /nfs/dbraw/zinc/88/45/06/699884506.db2.gz GJDVYABQHSEKNU-NSHDSACASA-N 0 2 310.423 1.721 20 30 DDEDLN C#CCOc1cccc(NC(=O)CC2SC(=N)NC2=O)c1 ZINC000742649758 699885038 /nfs/dbraw/zinc/88/50/38/699885038.db2.gz GXMRDEHADPLBMY-LLVKDONJSA-N 0 2 303.343 1.194 20 30 DDEDLN O=[N+]([O-])c1cc(C=NNCCOCC(F)(F)F)ccc1O ZINC000765600821 701020847 /nfs/dbraw/zinc/02/08/47/701020847.db2.gz DMLJQTZSFGZYCW-UHFFFAOYSA-N 0 2 307.228 1.803 20 30 DDEDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCC1(CC#N)CC1 ZINC000815964373 701977742 /nfs/dbraw/zinc/97/77/42/701977742.db2.gz GKGVJYCTKCXJKT-VIFPVBQESA-N 0 2 306.284 1.927 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N\Cc2ncc3c(n2)CCOC3)c1 ZINC000844272017 703002469 /nfs/dbraw/zinc/00/24/69/703002469.db2.gz UCJQSJHWKVCGHL-SOFYXZRVSA-N 0 2 314.301 1.782 20 30 DDEDLN N#CC(C(=O)NCc1ccccc1)=C([O-])c1c[nH+]c2n1CCC2 ZINC000850757347 703750223 /nfs/dbraw/zinc/75/02/23/703750223.db2.gz JJRUGEWJFLZHMF-CYBMUJFWSA-N 0 2 308.341 1.468 20 30 DDEDLN C#CC[C@H](CO)NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000820060093 704213312 /nfs/dbraw/zinc/21/33/12/704213312.db2.gz UGTCFIYJIVBMSC-LLVKDONJSA-N 0 2 319.748 1.345 20 30 DDEDLN C[C@]1(NC(=O)C(F)(F)F)CCN(Cc2nc(C#N)cs2)C1 ZINC000877776032 706206761 /nfs/dbraw/zinc/20/67/61/706206761.db2.gz WOVACAZHDWOWDZ-NSHDSACASA-N 0 2 318.324 1.658 20 30 DDEDLN C#CC[C@@H](NC(=O)C[N@@H+](CC)Cc1ccccc1Cl)C(=O)[O-] ZINC000910051715 709754474 /nfs/dbraw/zinc/75/44/74/709754474.db2.gz ZCTIRVCENRYHSV-CQSZACIVSA-N 0 2 322.792 1.755 20 30 DDEDLN C#CC[C@@H](NC(=O)C[N@H+](CC)Cc1ccccc1Cl)C(=O)[O-] ZINC000910051715 709754479 /nfs/dbraw/zinc/75/44/79/709754479.db2.gz ZCTIRVCENRYHSV-CQSZACIVSA-N 0 2 322.792 1.755 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(C=NNC(=S)NC[C@H]2CCCO2)c1 ZINC000916311319 713450800 /nfs/dbraw/zinc/45/08/00/713450800.db2.gz AZVKJTDUOFIZHO-LLVKDONJSA-N 0 2 324.362 1.277 20 30 DDEDLN C#CC[N@H+]1CCC[C@H](CNC(=O)c2cccc3nc(C)[nH]c32)C1 ZINC001023686505 735398325 /nfs/dbraw/zinc/39/83/25/735398325.db2.gz UWEVXUYILAGWEE-CQSZACIVSA-N 0 2 310.401 1.946 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2[nH]nnc2C)C1 ZINC001021648839 733400307 /nfs/dbraw/zinc/40/03/07/733400307.db2.gz NGCLFOCLGHGXNO-QWHCGFSZSA-N 0 2 323.828 1.792 20 30 DDEDLN C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001027979625 738901420 /nfs/dbraw/zinc/90/14/20/738901420.db2.gz FTIVYLYEXDYZOD-HUUCEWRRSA-N 0 2 302.422 1.602 20 30 DDEDLN C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001075968026 742289383 /nfs/dbraw/zinc/28/93/83/742289383.db2.gz ZFZXVZUINIEOTJ-YQQAZPJKSA-N 0 2 314.433 1.554 20 30 DDEDLN C#CC(C)(C)C(=O)N1CCc2c(C[N@@H+](C)C(C)C)n[nH]c2C1 ZINC001182635999 743677720 /nfs/dbraw/zinc/67/77/20/743677720.db2.gz LXXKNYQRNHLAFZ-UHFFFAOYSA-N 0 2 302.422 1.794 20 30 DDEDLN CC(C)(C#N)c1ccc(NC(=O)C(CO)C(F)(F)F)cn1 ZINC001183278209 743806322 /nfs/dbraw/zinc/80/63/22/743806322.db2.gz GJXPXQYUPQLEKG-SECBINFHSA-N 0 2 301.268 1.992 20 30 DDEDLN CC(C)(C#N)c1ccc(NC(=O)[C@@H](CO)C(F)(F)F)cn1 ZINC001183278209 743806327 /nfs/dbraw/zinc/80/63/27/743806327.db2.gz GJXPXQYUPQLEKG-SECBINFHSA-N 0 2 301.268 1.992 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188884034 744781695 /nfs/dbraw/zinc/78/16/95/744781695.db2.gz CRKKYUYKQDZZPJ-FRRDWIJNSA-N 0 2 319.409 1.145 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188884034 744781697 /nfs/dbraw/zinc/78/16/97/744781697.db2.gz CRKKYUYKQDZZPJ-FRRDWIJNSA-N 0 2 319.409 1.145 20 30 DDEDLN C#Cc1cc(NS(=O)(=O)c2cc(OC)ccc2Cl)ccn1 ZINC001189576690 744927582 /nfs/dbraw/zinc/92/75/82/744927582.db2.gz CKEUPETYJSIYKN-UHFFFAOYSA-N 0 2 322.773 1.948 20 30 DDEDLN N#Cc1cncc(NS(=O)(=O)Cc2ccc(F)cc2F)n1 ZINC001189781572 744980827 /nfs/dbraw/zinc/98/08/27/744980827.db2.gz FCCHHDANYIPSJY-UHFFFAOYSA-N 0 2 310.285 1.568 20 30 DDEDLN N#Cc1cnn(-c2ncccn2)c1NS(=O)(=O)CC1CCC1 ZINC001193480039 746116615 /nfs/dbraw/zinc/11/66/15/746116615.db2.gz PHNCXLYGKVNZOD-UHFFFAOYSA-N 0 2 318.362 1.076 20 30 DDEDLN COc1nc(Cl)cc(NC(=O)c2cccc(C#N)c2O)n1 ZINC001193634672 746156591 /nfs/dbraw/zinc/15/65/91/746156591.db2.gz FUTQTTHNJPZPMJ-UHFFFAOYSA-N 0 2 304.693 1.968 20 30 DDEDLN COC[C@H](C)Oc1cc(NC(=O)c2cccc(C#N)c2O)[nH]n1 ZINC001193642620 746160435 /nfs/dbraw/zinc/16/04/35/746160435.db2.gz KCEVOZGVXUTUSM-VIFPVBQESA-N 0 2 316.317 1.653 20 30 DDEDLN N=C(c1nonc1N)N(O)C(=O)c1cc(Cl)c(F)cc1O ZINC001196452413 746875499 /nfs/dbraw/zinc/87/54/99/746875499.db2.gz DZSZSURPLUKINQ-UHFFFAOYSA-N 0 2 315.648 1.007 20 30 DDEDLN N#CCN1CC[C@@]2(CNC(=O)C(F)C(F)(F)F)CCC[C@@H]12 ZINC001107414103 749935119 /nfs/dbraw/zinc/93/51/19/749935119.db2.gz CHTSPFDTVMIBCS-CKYFFXLPSA-N 0 2 307.291 1.771 20 30 DDEDLN N#CCN1CC[C@@]2(CNC(=O)[C@@H](F)C(F)(F)F)CCC[C@@H]12 ZINC001107414103 749935122 /nfs/dbraw/zinc/93/51/22/749935122.db2.gz CHTSPFDTVMIBCS-CKYFFXLPSA-N 0 2 307.291 1.771 20 30 DDEDLN CC#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001033932929 750155243 /nfs/dbraw/zinc/15/52/43/750155243.db2.gz UQXDUTPPFVUBKV-IRXDYDNUSA-N 0 2 321.465 1.042 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1(NC(=O)C(F)C(F)(F)F)CCC1 ZINC001064310154 754607461 /nfs/dbraw/zinc/60/74/61/754607461.db2.gz FYEZHUOTUMUMQC-YUMQZZPRSA-N 0 2 309.263 1.202 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1(NC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001064310154 754607467 /nfs/dbraw/zinc/60/74/67/754607467.db2.gz FYEZHUOTUMUMQC-YUMQZZPRSA-N 0 2 309.263 1.202 20 30 DDEDLN C=CCCC(=O)N1C[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@@H]2C1 ZINC001055237099 760414233 /nfs/dbraw/zinc/41/42/33/760414233.db2.gz CMQZSKPMKDQSTD-UMNHJUIQSA-N 0 2 322.302 1.770 20 30 DDEDLN C=CCCC(=O)N1C[C@@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@@H]2C1 ZINC001055237099 760414240 /nfs/dbraw/zinc/41/42/40/760414240.db2.gz CMQZSKPMKDQSTD-UMNHJUIQSA-N 0 2 322.302 1.770 20 30 DDEDLN C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)C(F)C(F)(F)F ZINC001067598996 766624027 /nfs/dbraw/zinc/62/40/27/766624027.db2.gz KUHVWOVFIUOYNA-DTWKUNHWSA-N 0 2 311.279 1.353 20 30 DDEDLN C[C@@H](C#N)C(=O)N(C)CCCN(C)C(=O)[C@@H](F)C(F)(F)F ZINC001067598996 766624031 /nfs/dbraw/zinc/62/40/31/766624031.db2.gz KUHVWOVFIUOYNA-DTWKUNHWSA-N 0 2 311.279 1.353 20 30 DDEDLN C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001073079799 858074820 /nfs/dbraw/zinc/07/48/20/858074820.db2.gz RZVNMKCOMNUYPX-RKDXNWHRSA-N 0 2 323.290 1.544 20 30 DDEDLN C[C@H](C#N)C(=O)NC1(C)CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001073079799 858074837 /nfs/dbraw/zinc/07/48/37/858074837.db2.gz RZVNMKCOMNUYPX-RKDXNWHRSA-N 0 2 323.290 1.544 20 30 DDEDLN Cc1ccc(C(=NC(=O)c2cnc3cccnc3c2O)NO)nc1 ZINC001153862338 864173309 /nfs/dbraw/zinc/17/33/09/864173309.db2.gz UVWWDJDKLGWWIG-UHFFFAOYSA-N 0 2 323.312 1.192 20 30 DDEDLN C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N(C)CCOC ZINC001341749651 871804486 /nfs/dbraw/zinc/80/44/86/871804486.db2.gz JEAOBUYMMCXICM-UHFFFAOYSA-N 0 2 311.777 1.375 20 30 DDEDLN Cn1ccnc1[C@@H](C#N)C(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC001346537835 873793687 /nfs/dbraw/zinc/79/36/87/873793687.db2.gz QKBCZPWANYHSTP-RYUDHWBXSA-N 0 2 303.362 1.964 20 30 DDEDLN C=CCCC1(C(=O)NC2CC[NH+](Cc3n[nH]c(=O)[n-]3)CC2)CC1 ZINC001229037721 883787082 /nfs/dbraw/zinc/78/70/82/883787082.db2.gz OSUMYXKOPZRODU-UHFFFAOYSA-N 0 2 319.409 1.337 20 30 DDEDLN CCOC(=O)[C@H](C#C[Si](C)(C)C)Oc1nc(C(=O)OC)c[nH]1 ZINC001230282415 884408920 /nfs/dbraw/zinc/40/89/20/884408920.db2.gz UUNQPATYGUCPNQ-NSHDSACASA-N 0 2 324.409 1.388 20 30 DDEDLN CCc1c(Nc2[nH]c(=O)n(C)c(=O)c2C#N)cnn1CC(C)C ZINC001364167124 888064945 /nfs/dbraw/zinc/06/49/45/888064945.db2.gz CIUXRVDSCMMBRC-UHFFFAOYSA-N 0 2 316.365 1.104 20 30 DDEDLN CC(C)CC1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCCC1 ZINC001364179600 888090582 /nfs/dbraw/zinc/09/05/82/888090582.db2.gz XJVHPVBRPWZXGN-UHFFFAOYSA-N 0 2 304.394 1.964 20 30 DDEDLN N#Cc1cc(NC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)ccn1 ZINC001365071361 890038809 /nfs/dbraw/zinc/03/88/09/890038809.db2.gz FCFLIPACCPICRG-VIFPVBQESA-N 0 2 313.321 1.188 20 30 DDEDLN C[C@H](C(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1)C(F)(F)F ZINC001374664673 913514781 /nfs/dbraw/zinc/51/47/81/913514781.db2.gz FWSRMOULZDIEGI-XINAWCOVSA-N 0 2 324.196 1.412 20 30 DDEDLN C[C@H](C(=O)N1CC(NC(=O)[C@H](F)C(F)(F)F)C1)C(F)(F)F ZINC001374664673 913514803 /nfs/dbraw/zinc/51/48/03/913514803.db2.gz FWSRMOULZDIEGI-XINAWCOVSA-N 0 2 324.196 1.412 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2cccc3ccccc32)CCC1=O ZINC001250602434 894337361 /nfs/dbraw/zinc/33/73/61/894337361.db2.gz KQUMTVJLCMCOGW-CYBMUJFWSA-N 0 2 314.366 1.943 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)CCC1=O ZINC001259509794 898708024 /nfs/dbraw/zinc/70/80/24/898708024.db2.gz LUZAHCMSYOZNGG-MRVPVSSYSA-N 0 2 316.741 1.582 20 30 DDEDLN COc1ccc(CS(=O)(=O)Nc2cccnc2C#N)cc1 ZINC001259892352 898903688 /nfs/dbraw/zinc/90/36/88/898903688.db2.gz RERNNEKYEQUFAZ-UHFFFAOYSA-N 0 2 303.343 1.904 20 30 DDEDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(F)cc(C#N)c1 ZINC001260110655 899058831 /nfs/dbraw/zinc/05/88/31/899058831.db2.gz OICXJTHFLNAXQW-UHFFFAOYSA-N 0 2 308.338 1.849 20 30 DDEDLN N#Cc1cncc(NS(=O)(=O)Cc2ccccc2Cl)n1 ZINC001260689491 899219628 /nfs/dbraw/zinc/21/96/28/899219628.db2.gz KQNJPQIQCSNJGT-UHFFFAOYSA-N 0 2 308.750 1.944 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)Cc2cccc(Cl)c2)CCC1=O ZINC001260831547 899281330 /nfs/dbraw/zinc/28/13/30/899281330.db2.gz PIGDXFDZUVYDPY-LLVKDONJSA-N 0 2 312.778 1.584 20 30 DDEDLN C#CCC[N@H+]1Cc2ccc(CNC(=O)Cn3c[nH+]cc3C)cc2C1 ZINC001281292416 904657198 /nfs/dbraw/zinc/65/71/98/904657198.db2.gz DLRUFMATDNHAQQ-UHFFFAOYSA-N 0 2 322.412 1.847 20 30 DDEDLN C#CC[N@@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001284055774 908404233 /nfs/dbraw/zinc/40/42/33/908404233.db2.gz CAVXDCAGXMKWFR-YOEHRIQHSA-N 0 2 300.406 1.099 20 30 DDEDLN C=C(C)C[C@@H](C)C(=O)N1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001284931349 909754404 /nfs/dbraw/zinc/75/44/04/909754404.db2.gz HXRCBZBOJCBKKX-LLVKDONJSA-N 0 2 304.394 1.190 20 30 DDEDLN Cc1c(NS(=O)(=O)Cc2ccc(CC#N)cc2)nnn1C ZINC000592383874 355572063 /nfs/dbraw/zinc/57/20/63/355572063.db2.gz OEEAAKXWKGPVDF-UHFFFAOYSA-N 0 2 305.363 1.132 20 30 DDEDLN CC(=O)N[C@H]1C(C)=NN(c2ccc(C#N)cc2C(F)(F)F)C1=O ZINC000601950011 358749243 /nfs/dbraw/zinc/74/92/43/358749243.db2.gz SIHDEIXLWSQISH-LBPRGKRZSA-N 0 2 324.262 1.804 20 30 DDEDLN CC(=O)Nc1c(C)[nH]n(-c2ccc(C#N)cc2C(F)(F)F)c1=O ZINC000601950011 358749246 /nfs/dbraw/zinc/74/92/46/358749246.db2.gz SIHDEIXLWSQISH-LBPRGKRZSA-N 0 2 324.262 1.804 20 30 DDEDLN N#CCCn1ccc(NS(=O)(=O)CCOCC2CCC2)n1 ZINC000601977049 358762825 /nfs/dbraw/zinc/76/28/25/358762825.db2.gz JWSFSYUJAZKXEG-UHFFFAOYSA-N 0 2 312.395 1.355 20 30 DDEDLN COC1CC(N(C)C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000340926650 251281386 /nfs/dbraw/zinc/28/13/86/251281386.db2.gz QZQJTTOJVBSFAX-UHFFFAOYSA-N 0 2 307.375 1.630 20 30 DDEDLN Cc1nn(C(F)F)c(C)c1CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000065618205 184374282 /nfs/dbraw/zinc/37/42/82/184374282.db2.gz CSXLSZDPLUUWIS-UHFFFAOYSA-N 0 2 319.275 1.543 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)NC3(C#N)CCC3)=N2)cc1 ZINC000272524911 407963266 /nfs/dbraw/zinc/96/32/66/407963266.db2.gz WFQNOSDZBJYWDC-UHFFFAOYSA-N 0 2 312.329 1.763 20 30 DDEDLN Cc1cc(-n2cncn2)ccc1C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000175296537 408099036 /nfs/dbraw/zinc/09/90/36/408099036.db2.gz MPZCGBIWRFVPSR-UHFFFAOYSA-N 0 2 318.300 1.294 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cnc3c(cnn3CC(C)C)c2)c1C#N ZINC000357236573 409948473 /nfs/dbraw/zinc/94/84/73/409948473.db2.gz CTJNYAUZHUIGTQ-UHFFFAOYSA-N 0 2 323.360 2.243 20 30 DDEDLN COc1cc2c(cc1C(=O)N=c1[nH][nH]c(C)c1C#N)OCO2 ZINC000357233563 409950407 /nfs/dbraw/zinc/95/04/07/409950407.db2.gz QWDFCNOPASDHPZ-UHFFFAOYSA-N 0 2 300.274 1.579 20 30 DDEDLN Cc1nn(C)cc1[C@H](C)[NH+]=C([O-])N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000329545363 410353881 /nfs/dbraw/zinc/35/38/81/410353881.db2.gz GPCOTZAYJXESJR-GXSJLCMTSA-N 0 2 302.382 1.574 20 30 DDEDLN Cc1cn2cc(C(=O)N=c3[nH][nH]c(C4CC4)c3C#N)sc2n1 ZINC000359718776 410836020 /nfs/dbraw/zinc/83/60/20/410836020.db2.gz QUYYJCAVFAYOMA-UHFFFAOYSA-N 0 2 312.358 2.429 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1ccnc(-n2cccn2)c1 ZINC000359724861 410838513 /nfs/dbraw/zinc/83/85/13/410838513.db2.gz NTZLWVKLGFDOQY-UHFFFAOYSA-N 0 2 319.328 1.992 20 30 DDEDLN Cc1cc(C(=O)N(C)[C@@H](C)CC#N)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000353776295 411127868 /nfs/dbraw/zinc/12/78/68/411127868.db2.gz HYZUSPOGJOTCQM-QMMMGPOBSA-N 0 2 301.306 1.119 20 30 DDEDLN COc1ccnc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000089641797 418492600 /nfs/dbraw/zinc/49/26/00/418492600.db2.gz JRPJFUNYJXTMSG-UHFFFAOYSA-N 0 2 323.761 2.416 20 30 DDEDLN CC(C)Cc1nnc(NS(=O)(=O)c2cncc(C#N)c2)s1 ZINC000290941590 222017560 /nfs/dbraw/zinc/01/75/60/222017560.db2.gz LMLFMMFDOJTHMW-UHFFFAOYSA-N 0 2 323.403 1.804 20 30 DDEDLN N#Cc1ccc(-c2nnc(CSc3n[nH]c(=O)[nH]3)o2)cc1 ZINC000191503618 222103893 /nfs/dbraw/zinc/10/38/93/222103893.db2.gz NPWYNACFJDGPOG-UHFFFAOYSA-N 0 2 300.303 1.724 20 30 DDEDLN C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)C1 ZINC000375461319 418642290 /nfs/dbraw/zinc/64/22/90/418642290.db2.gz FJEIZZAOLIXDSS-KRWDZBQOSA-N 0 2 316.424 1.909 20 30 DDEDLN COCc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)cc1 ZINC000340964064 418624394 /nfs/dbraw/zinc/62/43/94/418624394.db2.gz VLIOUMFXKWAQOA-UHFFFAOYSA-N 0 2 303.343 1.900 20 30 DDEDLN COc1cc(OC)cc(S(=O)(=O)Nc2ccc(C#N)cn2)c1 ZINC000362894159 418760917 /nfs/dbraw/zinc/76/09/17/418760917.db2.gz YTRXKJDQFGFPLN-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc(N(C)C)ncn1 ZINC000430062352 420074966 /nfs/dbraw/zinc/07/49/66/420074966.db2.gz BCPKKYIFZJCPHT-UHFFFAOYSA-N 0 2 317.374 1.524 20 30 DDEDLN COCCn1cc(S(=O)(=O)Nc2cc(C#N)ccc2C)cn1 ZINC000439053205 229685128 /nfs/dbraw/zinc/68/51/28/229685128.db2.gz ZBAMAQNDLXFKKM-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN Cn1ncc2c1[nH]cc(C(=O)NCC1CCC(C#N)CC1)c2=O ZINC000442976582 420734034 /nfs/dbraw/zinc/73/40/34/420734034.db2.gz XNPBNXYAPFJQNX-UHFFFAOYSA-N 0 2 313.361 1.734 20 30 DDEDLN CCn1nccc1S(=O)(=O)Nc1ccc(C#N)cc1OC ZINC000545313343 421253102 /nfs/dbraw/zinc/25/31/02/421253102.db2.gz LBUIQFLHQMUJLM-UHFFFAOYSA-N 0 2 306.347 1.584 20 30 DDEDLN CCCOc1ccc(OCCn2c(=O)[nH]cc(C#N)c2=O)cc1 ZINC000563958431 421560663 /nfs/dbraw/zinc/56/06/63/421560663.db2.gz XZUOUCPWPSJJAO-UHFFFAOYSA-N 0 2 315.329 1.276 20 30 DDEDLN COc1cnc(NS(=O)(=O)c2ccc(C#N)cc2F)nc1 ZINC000532898005 421667393 /nfs/dbraw/zinc/66/73/93/421667393.db2.gz GGWKKHMULXRZML-UHFFFAOYSA-N 0 2 308.294 1.297 20 30 DDEDLN CCC(O)(CC)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000349774116 266008904 /nfs/dbraw/zinc/00/89/04/266008904.db2.gz FMUNUYMLRYADIV-UHFFFAOYSA-N 0 2 309.391 1.662 20 30 DDEDLN COc1cccc(CCC(=O)Nc2nc(C#N)c(C#N)[nH]2)c1F ZINC000351256055 266882810 /nfs/dbraw/zinc/88/28/10/266882810.db2.gz RAHYGPSQDPRHSM-UHFFFAOYSA-N 0 2 313.292 1.872 20 30 DDEDLN Cc1ccc(C#N)c(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000374253350 267375777 /nfs/dbraw/zinc/37/57/77/267375777.db2.gz HSTJXGAIQCGMLS-OAHLLOKOSA-N 0 2 313.449 1.866 20 30 DDEDLN CCC(=O)N1CCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000572512914 304534799 /nfs/dbraw/zinc/53/47/99/304534799.db2.gz QZSAHSGBUIQPBS-UHFFFAOYSA-N 0 2 320.374 1.033 20 30 DDEDLN C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1nccnc1C#N ZINC001120845278 782181255 /nfs/dbraw/zinc/18/12/55/782181255.db2.gz PFSLQCFTJDDDCZ-CBAPKCEASA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@@H](CN(C)C(=O)[C@H](F)C(F)(F)F)Nc1nccnc1C#N ZINC001120845278 782181261 /nfs/dbraw/zinc/18/12/61/782181261.db2.gz PFSLQCFTJDDDCZ-CBAPKCEASA-N 0 2 319.262 1.507 20 30 DDEDLN Cc1oc(NC(=O)C[N@@H+]2CC[C@H](CNC(=O)[O-])C2)c(C#N)c1C ZINC000740274698 601948530 /nfs/dbraw/zinc/94/85/30/601948530.db2.gz QOVNGMCMOJDLOZ-LLVKDONJSA-N 0 2 320.349 1.296 20 30 DDEDLN Cc1oc(NC(=O)C[N@H+]2CC[C@H](CNC(=O)[O-])C2)c(C#N)c1C ZINC000740274698 601948531 /nfs/dbraw/zinc/94/85/31/601948531.db2.gz QOVNGMCMOJDLOZ-LLVKDONJSA-N 0 2 320.349 1.296 20 30 DDEDLN CC(C)(C#N)c1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000826081570 604667636 /nfs/dbraw/zinc/66/76/36/604667636.db2.gz YUDOPSHHSYRSQD-AWEZNQCLSA-N 0 2 315.373 1.263 20 30 DDEDLN CC(C)(C#N)c1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000826081570 604667640 /nfs/dbraw/zinc/66/76/40/604667640.db2.gz YUDOPSHHSYRSQD-AWEZNQCLSA-N 0 2 315.373 1.263 20 30 DDEDLN C=C(C)C[N@H+](C)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000833368619 605290646 /nfs/dbraw/zinc/29/06/46/605290646.db2.gz MZBHZXOKBUZQDD-UHFFFAOYSA-N 0 2 317.345 1.619 20 30 DDEDLN C=C(C)C[N@@H+](C)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000833368619 605290650 /nfs/dbraw/zinc/29/06/50/605290650.db2.gz MZBHZXOKBUZQDD-UHFFFAOYSA-N 0 2 317.345 1.619 20 30 DDEDLN N#Cc1ccc(C(=O)OCCOCCNC(=O)C(F)(F)F)o1 ZINC000797050224 699991579 /nfs/dbraw/zinc/99/15/79/699991579.db2.gz TUQPKRHOHBZLBY-UHFFFAOYSA-N 0 2 320.223 1.003 20 30 DDEDLN C[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1nnnn1C1CC1 ZINC000190198226 697585116 /nfs/dbraw/zinc/58/51/16/697585116.db2.gz NXULWTGDBDJUPX-QZNXTOQNSA-N 0 2 302.294 1.802 20 30 DDEDLN N#C[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccc(F)cc1 ZINC000742510408 699880309 /nfs/dbraw/zinc/88/03/09/699880309.db2.gz BXBFGAXCWCEHSZ-NXEZZACHSA-N 0 2 306.322 1.063 20 30 DDEDLN C#Cc1cc(F)c(NC(=O)C(=O)NCc2cn[nH]c2C)c(F)c1 ZINC000802548636 700410235 /nfs/dbraw/zinc/41/02/35/700410235.db2.gz WDBDFSLIFWIXLF-UHFFFAOYSA-N 0 2 318.283 1.233 20 30 DDEDLN N#Cc1cnc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000768861805 701211928 /nfs/dbraw/zinc/21/19/28/701211928.db2.gz KTVFOKXSYOFWSR-UHFFFAOYSA-N 0 2 316.345 1.785 20 30 DDEDLN CCOC(=O)C(C)(C)CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000805898925 701415633 /nfs/dbraw/zinc/41/56/33/701415633.db2.gz YHWWPDUAUXTLFA-JTQLQIEISA-N 0 2 305.334 1.291 20 30 DDEDLN COC(=O)CCCONC(=O)CSCc1ccc(C#N)cc1 ZINC000811560900 702006324 /nfs/dbraw/zinc/00/63/24/702006324.db2.gz BGRLPAZVYIAJDO-UHFFFAOYSA-N 0 2 322.386 1.792 20 30 DDEDLN C#CCONC(=O)c1ccc2c(c1)[nH]c(=S)n(CC=C)c2=O ZINC000812784187 702236486 /nfs/dbraw/zinc/23/64/86/702236486.db2.gz ZYKGKSYPRIGHER-UHFFFAOYSA-N 0 2 315.354 1.166 20 30 DDEDLN CCCC[C@H](ON=C(C)C)C(=O)NCCc1n[nH]c(=S)o1 ZINC000841423101 702444492 /nfs/dbraw/zinc/44/44/92/702444492.db2.gz KVJXQWVZRLNKNB-JTQLQIEISA-N 0 2 314.411 1.988 20 30 DDEDLN C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCc1n[nH]c(=S)o1 ZINC000847752325 703461858 /nfs/dbraw/zinc/46/18/58/703461858.db2.gz ORFNCZJTOHGPEG-JTQLQIEISA-N 0 2 316.386 1.767 20 30 DDEDLN C=CCC[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)C(=O)[O-] ZINC000909042044 712924528 /nfs/dbraw/zinc/92/45/28/712924528.db2.gz XLPHGZWPBZNKSD-LBPRGKRZSA-N 0 2 302.334 1.553 20 30 DDEDLN N#CCCNC(=O)CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000913399417 713208353 /nfs/dbraw/zinc/20/83/53/713208353.db2.gz GOICBNFMBJMQLV-UHFFFAOYSA-N 0 2 322.390 1.186 20 30 DDEDLN O=C1NC(=O)C(=NNc2cccc(Cl)c2Cl)C(=O)N1 ZINC000916626464 713461686 /nfs/dbraw/zinc/46/16/86/713461686.db2.gz LZUNUQLTYFQIOE-UHFFFAOYSA-N 0 2 301.089 1.127 20 30 DDEDLN C#CCC1(NCC2=Nc3ccccc3S(=O)(=O)N2)CCC1 ZINC000933297648 714557724 /nfs/dbraw/zinc/55/77/24/714557724.db2.gz PGLVCNROXPSPNG-UHFFFAOYSA-N 0 2 303.387 1.544 20 30 DDEDLN N#Cc1ccc(N[C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)nn1 ZINC001059097832 739934821 /nfs/dbraw/zinc/93/48/21/739934821.db2.gz QUMATONCOICVFH-WCBMZHEXSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1ccc(N[C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)nn1 ZINC001059097832 739934824 /nfs/dbraw/zinc/93/48/24/739934824.db2.gz QUMATONCOICVFH-WCBMZHEXSA-N 0 2 317.246 1.261 20 30 DDEDLN C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001088678264 742070065 /nfs/dbraw/zinc/07/00/65/742070065.db2.gz MVAHJMFOWDMMSY-KFWWJZLASA-N 0 2 302.422 1.601 20 30 DDEDLN Cn1c(=O)[nH]c(NCCOc2ccccc2Cl)c(C#N)c1=O ZINC001185888055 744309174 /nfs/dbraw/zinc/30/91/74/744309174.db2.gz BWUZTEWIPBMQKM-UHFFFAOYSA-N 0 2 320.736 1.090 20 30 DDEDLN N#Cc1nccnc1NC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001110375739 744343731 /nfs/dbraw/zinc/34/37/31/744343731.db2.gz SXBZJFNWCQZCGD-MRVPVSSYSA-N 0 2 317.246 1.309 20 30 DDEDLN N#Cc1nccnc1NC1(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001110375739 744343733 /nfs/dbraw/zinc/34/37/33/744343733.db2.gz SXBZJFNWCQZCGD-MRVPVSSYSA-N 0 2 317.246 1.309 20 30 DDEDLN C[C@H](C#N)S(=O)(=O)Nc1cnc(C#N)c(C(F)(F)F)c1 ZINC001193107439 745981103 /nfs/dbraw/zinc/98/11/03/745981103.db2.gz VRAQHVDCRWXVRB-ZCFIWIBFSA-N 0 2 304.253 1.626 20 30 DDEDLN COC(=O)c1cccc(Cl)c1NS(=O)(=O)[C@@H](C)C#N ZINC001193150139 745997854 /nfs/dbraw/zinc/99/78/54/745997854.db2.gz CONOBKOFZPQJDW-ZETCQYMHSA-N 0 2 302.739 1.780 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1cccc(C(C)C)c1 ZINC001195180539 746539167 /nfs/dbraw/zinc/53/91/67/746539167.db2.gz XXBFZLKRBNYPDS-CYBMUJFWSA-N 0 2 310.375 1.544 20 30 DDEDLN C=C[C@@H](C)[C@H](C)C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC001196853061 746990744 /nfs/dbraw/zinc/99/07/44/746990744.db2.gz GFGBRKZELHXDPT-NEPJUHHUSA-N 0 2 307.398 1.003 20 30 DDEDLN N#Cc1ccc(NC/C=C/CNC(=O)C(F)C(F)(F)F)cn1 ZINC001107560899 750139289 /nfs/dbraw/zinc/13/92/89/750139289.db2.gz DTJFHEPBGBGDTA-GXFZAYBSSA-N 0 2 316.258 1.938 20 30 DDEDLN N#Cc1ccc(NC/C=C/CNC(=O)[C@H](F)C(F)(F)F)cn1 ZINC001107560899 750139291 /nfs/dbraw/zinc/13/92/91/750139291.db2.gz DTJFHEPBGBGDTA-GXFZAYBSSA-N 0 2 316.258 1.938 20 30 DDEDLN CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2n[nH]c(C)c2[O-])CC1 ZINC001016571361 757168269 /nfs/dbraw/zinc/16/82/69/757168269.db2.gz FJKYWHPFERYEAO-LBPRGKRZSA-N 0 2 302.378 1.031 20 30 DDEDLN N#CCN1CCC2(CCN(C(=O)C(F)C(F)(F)F)C2)CC1 ZINC001040707991 762656394 /nfs/dbraw/zinc/65/63/94/762656394.db2.gz NMUWKZYFMKMEED-SNVBAGLBSA-N 0 2 307.291 1.725 20 30 DDEDLN N#CCN1CCC2(CCN(C(=O)[C@@H](F)C(F)(F)F)C2)CC1 ZINC001040707991 762656404 /nfs/dbraw/zinc/65/64/04/762656404.db2.gz NMUWKZYFMKMEED-SNVBAGLBSA-N 0 2 307.291 1.725 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001098327803 764309521 /nfs/dbraw/zinc/30/95/21/764309521.db2.gz PSLNLNXKHIVEDB-MUWHJKNJSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001098327803 764309527 /nfs/dbraw/zinc/30/95/27/764309527.db2.gz PSLNLNXKHIVEDB-MUWHJKNJSA-N 0 2 305.235 1.165 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ccnc(C#N)n1 ZINC001113933768 766423627 /nfs/dbraw/zinc/42/36/27/766423627.db2.gz CIWQOZWJZCKEFL-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1ccnc(C#N)n1 ZINC001113933768 766423628 /nfs/dbraw/zinc/42/36/28/766423628.db2.gz CIWQOZWJZCKEFL-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1cncc(C#N)n1 ZINC001113935071 766426064 /nfs/dbraw/zinc/42/60/64/766426064.db2.gz VJAPHDLZZBMTCI-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1cncc(C#N)n1 ZINC001113935071 766426067 /nfs/dbraw/zinc/42/60/67/766426067.db2.gz VJAPHDLZZBMTCI-XCBNKYQSSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CCNC(=O)C(F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001099742802 775211291 /nfs/dbraw/zinc/21/12/91/775211291.db2.gz ZWCUMQLTQNWRMY-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNC(=O)[C@H](F)C(F)(F)F)Nc1ccc(C#N)nn1 ZINC001099742802 775211304 /nfs/dbraw/zinc/21/13/04/775211304.db2.gz ZWCUMQLTQNWRMY-XCBNKYQSSA-N 0 2 319.262 1.555 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2cc(Br)ccc2F)c1=O ZINC001364286331 843119336 /nfs/dbraw/zinc/11/93/36/843119336.db2.gz MKRJPTCYTHXHMK-UHFFFAOYSA-N 0 2 324.109 1.358 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1c[nH]nc1C(F)(F)F ZINC001413549142 857050602 /nfs/dbraw/zinc/05/06/02/857050602.db2.gz FEVQMPKOAUEQCS-UHFFFAOYSA-N 0 2 311.223 1.962 20 30 DDEDLN N#C[C@@H](C(=O)CCc1nnc[nH]1)c1nc(N)c2ccccc2n1 ZINC001122499167 858854193 /nfs/dbraw/zinc/85/41/93/858854193.db2.gz VEAPCRRAYCRGKT-JTQLQIEISA-N 0 2 307.317 1.139 20 30 DDEDLN C#CC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)C(=O)[O-] ZINC001334998632 867984124 /nfs/dbraw/zinc/98/41/24/867984124.db2.gz TWDYDBCSMMCULL-CABCVRRESA-N 0 2 315.373 1.029 20 30 DDEDLN C#CC[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)C(=O)[O-] ZINC001334998632 867984131 /nfs/dbraw/zinc/98/41/31/867984131.db2.gz TWDYDBCSMMCULL-CABCVRRESA-N 0 2 315.373 1.029 20 30 DDEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N1CC[C@H](CF)C1 ZINC001340206854 870957196 /nfs/dbraw/zinc/95/71/96/870957196.db2.gz DCUHYPKQAQURAX-LLVKDONJSA-N 0 2 320.372 1.849 20 30 DDEDLN N#Cc1c[nH]c(=O)n(CC(=O)c2ccc3ccccc3c2)c1=O ZINC001307359216 871426413 /nfs/dbraw/zinc/42/64/13/871426413.db2.gz BRQYDNHJKCEHIY-UHFFFAOYSA-N 0 2 305.293 1.444 20 30 DDEDLN CC(C)C#CC(=O)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001348221409 874432524 /nfs/dbraw/zinc/43/25/24/874432524.db2.gz SUXDJVSCPFRLQG-NSHDSACASA-N 0 2 308.275 1.217 20 30 DDEDLN CC(C)C#CC(=O)N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC001348221409 874432526 /nfs/dbraw/zinc/43/25/26/874432526.db2.gz SUXDJVSCPFRLQG-NSHDSACASA-N 0 2 308.275 1.217 20 30 DDEDLN N#Cc1c[nH]c(=O)n(CC(=O)c2cccc(Cl)c2Cl)c1=O ZINC001363766697 887169513 /nfs/dbraw/zinc/16/95/13/887169513.db2.gz ZGOWEYWFXABULL-UHFFFAOYSA-N 0 2 324.123 1.598 20 30 DDEDLN Cn1c(=O)[nH]c(N[C@@H]2CCCc3cc(C#N)ccc32)c(C#N)c1=O ZINC001364200787 888133984 /nfs/dbraw/zinc/13/39/84/888133984.db2.gz JFVDQKAREMVTMW-CQSZACIVSA-N 0 2 321.340 1.306 20 30 DDEDLN CCOC(=O)c1nnc([C@H](C)[NH2+]Cc2csc(C#N)c2)[n-]1 ZINC001365604667 891145020 /nfs/dbraw/zinc/14/50/20/891145020.db2.gz FNPRVJZAOOUKRA-QMMMGPOBSA-N 0 2 305.363 1.765 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccc(C)c(Cl)c1 ZINC001259137492 898488311 /nfs/dbraw/zinc/48/83/11/898488311.db2.gz VNORKGBOCMJILO-NSHDSACASA-N 0 2 316.766 1.382 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)c2c(F)cc(F)cc2F)ccn1 ZINC001260348370 899122652 /nfs/dbraw/zinc/12/26/52/899122652.db2.gz KYCBLQLVUGQLMS-UHFFFAOYSA-N 0 2 313.260 1.593 20 30 DDEDLN C=CCOC[C@@H]([NH2+]Cc1cnc([C@H]2CCCO2)s1)C(=O)[O-] ZINC001262157629 899990802 /nfs/dbraw/zinc/99/08/02/899990802.db2.gz KMEDYAIVHVLROX-VXGBXAGGSA-N 0 2 312.391 1.740 20 30 DDEDLN CC(C)[C@@H]1C[C@H](C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CCO1 ZINC001263414112 900604718 /nfs/dbraw/zinc/60/47/18/900604718.db2.gz QSDJLFRLVHYWGA-UPJWGTAASA-N 0 2 303.362 1.763 20 30 DDEDLN C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)C(F)C(F)(F)F ZINC001282341430 905704473 /nfs/dbraw/zinc/70/44/73/905704473.db2.gz XITOLBAMNBBRRZ-QRTLGDNMSA-N 0 2 320.286 1.406 20 30 DDEDLN C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CCN1C(=O)[C@H](F)C(F)(F)F ZINC001282341430 905704479 /nfs/dbraw/zinc/70/44/79/905704479.db2.gz XITOLBAMNBBRRZ-QRTLGDNMSA-N 0 2 320.286 1.406 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC(NC(=O)C(F)C(F)(F)F)C2)C1 ZINC001284913826 909722709 /nfs/dbraw/zinc/72/27/09/909722709.db2.gz RHCKYROCBNAAOS-SECBINFHSA-N 0 2 308.275 1.570 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC(NC(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001284913826 909722720 /nfs/dbraw/zinc/72/27/20/909722720.db2.gz RHCKYROCBNAAOS-SECBINFHSA-N 0 2 308.275 1.570 20 30 DDEDLN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cc(C#N)c[nH]2)cn1 ZINC000328619491 231249589 /nfs/dbraw/zinc/24/95/89/231249589.db2.gz FWNGEDMRUXKXAB-DZGCQCFKSA-N 0 2 313.361 1.753 20 30 DDEDLN Cc1nc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)ccc1C#N ZINC000328791963 231346342 /nfs/dbraw/zinc/34/63/42/231346342.db2.gz RCDBMUKRKYQQNX-LLVKDONJSA-N 0 2 312.333 1.105 20 30 DDEDLN COCCN(CC#N)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000457198845 232012053 /nfs/dbraw/zinc/01/20/53/232012053.db2.gz ANCWWBPNDZUXKC-UHFFFAOYSA-N 0 2 318.308 1.329 20 30 DDEDLN CO[C@@H](CS(=O)(=O)Nc1cc(C)n(CCC#N)n1)C1CC1 ZINC000584839033 354780388 /nfs/dbraw/zinc/78/03/88/354780388.db2.gz CRFBQWHGARGPIA-LBPRGKRZSA-N 0 2 312.395 1.272 20 30 DDEDLN N#CC[C@@]1(O)CCN(C(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000592847014 355714156 /nfs/dbraw/zinc/71/41/56/355714156.db2.gz HLIFHMWIJJBVCN-CYBMUJFWSA-N 0 2 300.236 1.300 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1C#N ZINC000600443736 358222441 /nfs/dbraw/zinc/22/24/41/358222441.db2.gz IIWYTWJFLNXLTD-NHRVJRKFSA-N 0 2 321.402 1.922 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(F)c1 ZINC000610056563 360377261 /nfs/dbraw/zinc/37/72/61/360377261.db2.gz YJERBBNTGUEIKH-UHFFFAOYSA-N 0 2 319.317 1.597 20 30 DDEDLN C[C@H](CCNC(=O)N=c1nc(C(C)(C)C)[nH]s1)[S@@](C)=O ZINC000331132578 223188700 /nfs/dbraw/zinc/18/87/00/223188700.db2.gz BRIUTXUEOXTAMU-ZPWHCFADSA-N 0 2 318.468 1.741 20 30 DDEDLN CCOCc1nnc(NS(=O)(=O)c2ccc(C#N)cc2)o1 ZINC000194962909 201318699 /nfs/dbraw/zinc/31/86/99/201318699.db2.gz JGIPVZQOESBWHO-UHFFFAOYSA-N 0 2 308.319 1.279 20 30 DDEDLN N#C[C@@H](C(=O)c1cn(C2CC2)nn1)c1nnc2n1CCCCC2 ZINC000626302832 367469450 /nfs/dbraw/zinc/46/94/50/367469450.db2.gz RTHNPQAPWPPDQU-NSHDSACASA-N 0 2 311.349 1.421 20 30 DDEDLN N#CC(C(=O)c1cn(C2CC2)nn1)c1nnc2n1CCCCC2 ZINC000626302832 367469460 /nfs/dbraw/zinc/46/94/60/367469460.db2.gz RTHNPQAPWPPDQU-NSHDSACASA-N 0 2 311.349 1.421 20 30 DDEDLN COCCC(C)(C)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000338860456 250168343 /nfs/dbraw/zinc/16/83/43/250168343.db2.gz APZCEYUVGJBDJY-UHFFFAOYSA-N 0 2 309.391 1.926 20 30 DDEDLN COCC1(C#N)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000357094230 292207770 /nfs/dbraw/zinc/20/77/70/292207770.db2.gz NWKFMMLYEGYTES-UHFFFAOYSA-N 0 2 319.317 1.693 20 30 DDEDLN COCCCCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000057559425 407216511 /nfs/dbraw/zinc/21/65/11/407216511.db2.gz OIWGVVOPHVJFQG-UHFFFAOYSA-N 0 2 309.391 1.927 20 30 DDEDLN Cn1ncc2c1[nH]cc(C(=O)NCC#Cc1ccccc1)c2=O ZINC000119125973 407998927 /nfs/dbraw/zinc/99/89/27/407998927.db2.gz QWMCEWIBXXFFNL-UHFFFAOYSA-N 0 2 306.325 1.455 20 30 DDEDLN N#Cc1ccc(CN2CC[C@H](NC(=O)C(F)(F)F)C2=O)cc1 ZINC000191075625 163170738 /nfs/dbraw/zinc/17/07/38/163170738.db2.gz FZKQVHIQINPZAG-NSHDSACASA-N 0 2 311.263 1.338 20 30 DDEDLN C=CCN1CC[C@H](N(C)C(=O)c2cc(F)c(O)c(F)c2)C1=O ZINC000281802992 408932706 /nfs/dbraw/zinc/93/27/06/408932706.db2.gz TUYMHVWHVQRAAW-LBPRGKRZSA-N 0 2 310.300 1.529 20 30 DDEDLN C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1OCC(=O)OC ZINC000295078920 409314897 /nfs/dbraw/zinc/31/48/97/409314897.db2.gz SXFRVQYVIQXOOP-HNNXBMFYSA-N 0 2 318.417 1.844 20 30 DDEDLN COc1cc(OC)nc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000318689008 164032770 /nfs/dbraw/zinc/03/27/70/164032770.db2.gz GXRCLJSPGTYWMM-UHFFFAOYSA-N 0 2 320.330 1.166 20 30 DDEDLN COC(=O)c1ccnc(NS(=O)(=O)c2cccc(C#N)c2)c1 ZINC000345838926 409734721 /nfs/dbraw/zinc/73/47/21/409734721.db2.gz PXXQAPLNBVGZIL-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN CC1(C)NC(=O)CC[C@@H]1[NH+]=C([O-])NC[C@H]1CCc2[nH+]ccn2C1 ZINC000328747486 409968943 /nfs/dbraw/zinc/96/89/43/409968943.db2.gz PCEXZBBWGXQXOS-NEPJUHHUSA-N 0 2 319.409 1.847 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cc(C)n(CCC#N)n2)cn1 ZINC000350892885 410008876 /nfs/dbraw/zinc/00/88/76/410008876.db2.gz FOBOBNOXMHEDEA-UHFFFAOYSA-N 0 2 321.362 1.310 20 30 DDEDLN C=C(C)Cn1c(COCC)n[n-]c1=[NH+]c1c(C)nn(C)c1C ZINC000358962723 410540200 /nfs/dbraw/zinc/54/02/00/410540200.db2.gz YGGPBHMOJAEQAO-UHFFFAOYSA-N 0 2 304.398 2.485 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCCn2cccc2)cc1C#N ZINC000359444400 410663736 /nfs/dbraw/zinc/66/37/36/410663736.db2.gz UHXYIHVVTRXGKB-UHFFFAOYSA-N 0 2 302.359 1.612 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)CCOC2)o1 ZINC000330836297 410895676 /nfs/dbraw/zinc/89/56/76/410895676.db2.gz KPOJIROFCHCHEC-SECBINFHSA-N 0 2 310.253 1.151 20 30 DDEDLN C[C@@H]1CC(=[NH+]C([O-])=C2CCN(c3cccc(Cl)c3)C2=O)NO1 ZINC000361205157 418606110 /nfs/dbraw/zinc/60/61/10/418606110.db2.gz QIOZYQCKOQYRNZ-SKDRFNHKSA-N 0 2 321.764 1.931 20 30 DDEDLN COc1ncc(C)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427283041 419629558 /nfs/dbraw/zinc/62/95/58/419629558.db2.gz HGDCNLPEEIIBTF-UHFFFAOYSA-N 0 2 318.358 1.775 20 30 DDEDLN C=C[C@@H]1CCCCN1C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000427683085 419714821 /nfs/dbraw/zinc/71/48/21/419714821.db2.gz QZMCFPGIYABFGO-SNVBAGLBSA-N 0 2 322.434 1.763 20 30 DDEDLN C=C[C@@H]1CCCCN1C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000488882590 421123288 /nfs/dbraw/zinc/12/32/88/421123288.db2.gz PLZBMNAHGGDYGV-SNVBAGLBSA-N 0 2 314.345 1.925 20 30 DDEDLN COc1cncnc1NS(=O)(=O)c1cc(C#N)ccc1C ZINC000562264432 421345640 /nfs/dbraw/zinc/34/56/40/421345640.db2.gz XVDXTYHVORCFHO-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN CC#CC[C@H](CO)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000646356274 423463927 /nfs/dbraw/zinc/46/39/27/423463927.db2.gz BMNIORZWHNAHJC-SNVBAGLBSA-N 0 2 322.415 1.584 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CCC[C@@H]2O)cc1C#N ZINC000341790784 271214090 /nfs/dbraw/zinc/21/40/90/271214090.db2.gz PJIUMJDYBKLJEX-QWRGUYRKSA-N 0 2 307.375 1.366 20 30 DDEDLN N#Cc1nc(NC(=O)[C@@H]2C[C@]23CCc2ccccc23)[nH]c1C#N ZINC000266541397 303216249 /nfs/dbraw/zinc/21/62/49/303216249.db2.gz LHVCOTZBQVHQII-SJCJKPOMSA-N 0 2 303.325 1.996 20 30 DDEDLN COc1cncc(S(=O)(=O)Nc2ccc(C#N)cc2OC)c1 ZINC000545996518 303507590 /nfs/dbraw/zinc/50/75/90/303507590.db2.gz UZQHNLRQBKPRAF-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN C=C[C@@](C)(CCOC)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000565026502 341515432 /nfs/dbraw/zinc/51/54/32/341515432.db2.gz RMBUNLBPARMFLG-HNNXBMFYSA-N 0 2 308.382 1.445 20 30 DDEDLN Cn1cc(C(=O)C(C#N)c2ccncn2)c(-c2ccncc2)n1 ZINC000681359283 486412995 /nfs/dbraw/zinc/41/29/95/486412995.db2.gz YFNASLRFTCXZJF-GFCCVEGCSA-N 0 2 304.313 1.762 20 30 DDEDLN Cn1cc(C(=O)[C@H](C#N)c2ccncn2)c(-c2ccncc2)n1 ZINC000681359283 486412999 /nfs/dbraw/zinc/41/29/99/486412999.db2.gz YFNASLRFTCXZJF-GFCCVEGCSA-N 0 2 304.313 1.762 20 30 DDEDLN CC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000330645896 526525575 /nfs/dbraw/zinc/52/55/75/526525575.db2.gz GRMPUWHNOKZHSY-UHFFFAOYSA-N 0 2 307.306 1.616 20 30 DDEDLN C=CCONC(=O)C1(c2ccccc2)CCN(C(=O)C=C)CC1 ZINC000490730939 526819405 /nfs/dbraw/zinc/81/94/05/526819405.db2.gz HWTRZNMBQDWRLE-UHFFFAOYSA-N 0 2 314.385 1.967 20 30 DDEDLN C[C@@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1ccncc1C#N ZINC001120845984 782182603 /nfs/dbraw/zinc/18/26/03/782182603.db2.gz UBCKPXCJKRVWFJ-KWQFWETISA-N 0 2 318.274 1.534 20 30 DDEDLN C[C@@H](CN(C)C(=O)[C@H](F)C(F)(F)F)Nc1ccncc1C#N ZINC001120845984 782182608 /nfs/dbraw/zinc/18/26/08/782182608.db2.gz UBCKPXCJKRVWFJ-KWQFWETISA-N 0 2 318.274 1.534 20 30 DDEDLN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+](C)CC(=O)[O-] ZINC000820876445 598043406 /nfs/dbraw/zinc/04/34/06/598043406.db2.gz JMCCLLZKMKNORN-LBPRGKRZSA-N 0 2 319.361 1.347 20 30 DDEDLN COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC(=O)[O-] ZINC000820876445 598043410 /nfs/dbraw/zinc/04/34/10/598043410.db2.gz JMCCLLZKMKNORN-LBPRGKRZSA-N 0 2 319.361 1.347 20 30 DDEDLN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000825996273 601441440 /nfs/dbraw/zinc/44/14/40/601441440.db2.gz XIAKWTSRZCBNKT-NHYWBVRUSA-N 0 2 311.357 1.216 20 30 DDEDLN C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000825996273 601441441 /nfs/dbraw/zinc/44/14/41/601441441.db2.gz XIAKWTSRZCBNKT-NHYWBVRUSA-N 0 2 311.357 1.216 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000739588435 602782910 /nfs/dbraw/zinc/78/29/10/602782910.db2.gz YAVCYRRFAKOADU-KBPBESRZSA-N 0 2 316.361 1.159 20 30 DDEDLN CN(C(=O)[O-])[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000739588435 602782911 /nfs/dbraw/zinc/78/29/11/602782911.db2.gz YAVCYRRFAKOADU-KBPBESRZSA-N 0 2 316.361 1.159 20 30 DDEDLN C#CC[N@@H+](Cc1nc(C(C)(C)NC(=O)[O-])no1)C1CCCC1 ZINC000823450748 603629251 /nfs/dbraw/zinc/62/92/51/603629251.db2.gz IKFWYKXLYJCDJM-UHFFFAOYSA-N 0 2 306.366 1.950 20 30 DDEDLN C#CC[N@H+](Cc1nc(C(C)(C)NC(=O)[O-])no1)C1CCCC1 ZINC000823450748 603629257 /nfs/dbraw/zinc/62/92/57/603629257.db2.gz IKFWYKXLYJCDJM-UHFFFAOYSA-N 0 2 306.366 1.950 20 30 DDEDLN C=CCc1cc(C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)cc(OC)c1O ZINC000819720207 604629968 /nfs/dbraw/zinc/62/99/68/604629968.db2.gz NAHQWZXJQSHYCJ-CQSZACIVSA-N 0 2 307.346 1.415 20 30 DDEDLN C=CCc1cc(C[N@H+]2CCO[C@@H](C(=O)[O-])C2)cc(OC)c1O ZINC000819720207 604629971 /nfs/dbraw/zinc/62/99/71/604629971.db2.gz NAHQWZXJQSHYCJ-CQSZACIVSA-N 0 2 307.346 1.415 20 30 DDEDLN N#CCCn1ncc2c1nc[nH+]c2NC[C@@H](NC(=O)[O-])C1CC1 ZINC000833965725 605921358 /nfs/dbraw/zinc/92/13/58/605921358.db2.gz QBVCFZBJHJWKDH-LLVKDONJSA-N 0 2 315.337 1.198 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)CC2(C)C)C1 ZINC000975023854 695779258 /nfs/dbraw/zinc/77/92/58/695779258.db2.gz DUUMITMSQPRJFY-LLVKDONJSA-N 0 2 319.409 1.193 20 30 DDEDLN C#C[C@@H](NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O)C(C)C ZINC000799043899 700111583 /nfs/dbraw/zinc/11/15/83/700111583.db2.gz ICBUTQUENWOFFX-CQSZACIVSA-N 0 2 313.357 1.974 20 30 DDEDLN C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](Cc1n[nH]c(=O)[n-]1)C2 ZINC000981937909 696976119 /nfs/dbraw/zinc/97/61/19/696976119.db2.gz QJOSZACOAPSGIL-UHFFFAOYSA-N 0 2 319.409 1.147 20 30 DDEDLN C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@@H+](Cc1n[nH]c(=O)[n-]1)C2 ZINC000981937909 696976122 /nfs/dbraw/zinc/97/61/22/696976122.db2.gz QJOSZACOAPSGIL-UHFFFAOYSA-N 0 2 319.409 1.147 20 30 DDEDLN N#C[C@H](OC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C1CCCCC1 ZINC000776385459 698101728 /nfs/dbraw/zinc/10/17/28/698101728.db2.gz DWYKGOKWEYSSHA-LBPRGKRZSA-N 0 2 315.333 1.087 20 30 DDEDLN N#C[C@H](C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)c1ccccn1 ZINC000248787315 698380687 /nfs/dbraw/zinc/38/06/87/698380687.db2.gz YVSMSTCXHQDTHN-YWVKMMECSA-N 0 2 311.263 1.715 20 30 DDEDLN COC(=O)c1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccccc2)on1 ZINC000781447783 698620699 /nfs/dbraw/zinc/62/06/99/698620699.db2.gz HYSBYQMHXAYWLM-SNVBAGLBSA-N 0 2 313.269 1.422 20 30 DDEDLN COC(=O)c1c(C)[nH]nc1S(=O)(=O)Oc1ccc(C#N)cc1 ZINC000750944400 700259586 /nfs/dbraw/zinc/25/95/86/700259586.db2.gz UENWNYPIYBFJHJ-UHFFFAOYSA-N 0 2 321.314 1.144 20 30 DDEDLN O=C1Nc2cc3c(cc2C1=NNc1ncncc1F)OCCO3 ZINC000793226529 699741933 /nfs/dbraw/zinc/74/19/33/699741933.db2.gz RXPYARWXMJKBNC-UHFFFAOYSA-N 0 2 315.264 1.155 20 30 DDEDLN O=[N+]([O-])c1ccc(O)c(/C=N\Cc2nnnn2CC2CC2)c1 ZINC000769718361 701254112 /nfs/dbraw/zinc/25/41/12/701254112.db2.gz KZPOMGRAFCRQBX-NSIKDUERSA-N 0 2 302.294 1.316 20 30 DDEDLN C#CCOc1cccc(NS(=O)(=O)c2ccnn2CC)c1 ZINC000769873496 701259930 /nfs/dbraw/zinc/25/99/30/701259930.db2.gz VAADTBMOGYRWJE-UHFFFAOYSA-N 0 2 305.359 1.716 20 30 DDEDLN Cc1cc(C#N)cnc1C(=O)Nc1nc(C2=S=CC=C2)n[nH]1 ZINC000815338657 701850853 /nfs/dbraw/zinc/85/08/53/701850853.db2.gz JEYRYTLDEUHOQU-UHFFFAOYSA-N 0 2 310.342 1.258 20 30 DDEDLN C#CCCCS(=O)(=O)N[C@@H](C1CC1)C(F)(F)C(=O)OCC ZINC000840950015 702290372 /nfs/dbraw/zinc/29/03/72/702290372.db2.gz IFDPSROIAMNQII-NSHDSACASA-N 0 2 323.361 1.296 20 30 DDEDLN CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)C(C#N)c1ccncn1 ZINC000850947595 703767372 /nfs/dbraw/zinc/76/73/72/703767372.db2.gz IOFLAWWTTXGUSV-MEBBXXQBSA-N 0 2 305.334 1.400 20 30 DDEDLN CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)[C@H](C#N)c1ccncn1 ZINC000850947595 703767373 /nfs/dbraw/zinc/76/73/73/703767373.db2.gz IOFLAWWTTXGUSV-MEBBXXQBSA-N 0 2 305.334 1.400 20 30 DDEDLN CCO[C@@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C1CCOCC1 ZINC000870244217 703971607 /nfs/dbraw/zinc/97/16/07/703971607.db2.gz VXEZOJBLJWTRLL-IUODEOHRSA-N 0 2 319.361 1.143 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@@H]1CCN(c2ccccc2)C1 ZINC000835234987 707201357 /nfs/dbraw/zinc/20/13/57/707201357.db2.gz LRRDANMCHMEKFE-HIFRSBDPSA-N 0 2 322.368 1.838 20 30 DDEDLN O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)C(F)C(F)(F)F ZINC000882555636 707693729 /nfs/dbraw/zinc/69/37/29/707693729.db2.gz CIJZKMZNFRQAEX-GBXIJSLDSA-N 0 2 307.112 1.562 20 30 DDEDLN C[C@H](C#N)Cn1[nH]c2c(c1=O)CCN(C(=O)OC(C)(C)C)C2 ZINC000887285232 709007530 /nfs/dbraw/zinc/00/75/30/709007530.db2.gz YAVSODXBIRCDGD-GHMZBOCLSA-N 0 2 306.366 1.601 20 30 DDEDLN N#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1[O-] ZINC000928088396 713125098 /nfs/dbraw/zinc/12/50/98/713125098.db2.gz HEHYUBWWTHQYAF-KGLIPLIRSA-N 0 2 317.414 1.573 20 30 DDEDLN N#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1[O-] ZINC000928088396 713125099 /nfs/dbraw/zinc/12/50/99/713125099.db2.gz HEHYUBWWTHQYAF-KGLIPLIRSA-N 0 2 317.414 1.573 20 30 DDEDLN C=C(Cl)C[C@H]([NH3+])C(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000901007839 709876356 /nfs/dbraw/zinc/87/63/56/709876356.db2.gz OQOOAXFLYHATFY-NSHDSACASA-N 0 2 302.783 1.103 20 30 DDEDLN C#CCN(C(=O)c1ccc(CNC(=O)C(F)(F)F)o1)C(C)C ZINC000928623310 713240834 /nfs/dbraw/zinc/24/08/34/713240834.db2.gz QJJXTVAPQHGSDL-UHFFFAOYSA-N 0 2 316.279 1.942 20 30 DDEDLN CNC(=O)CC1SC(=Nc2cnn(C)c2)N(CC(C)C)C1=O ZINC000906546502 712351405 /nfs/dbraw/zinc/35/14/05/712351405.db2.gz UNMCXLCXNHIIAO-NSHDSACASA-N 0 2 323.422 1.144 20 30 DDEDLN CNC(=O)C[C@@H]1SC(=Nc2cnn(C)c2)N(CC(C)C)C1=O ZINC000906546502 712351406 /nfs/dbraw/zinc/35/14/06/712351406.db2.gz UNMCXLCXNHIIAO-NSHDSACASA-N 0 2 323.422 1.144 20 30 DDEDLN COC(=O)CC1CC(NS(=O)(=O)CC(C)(C)CC#N)C1 ZINC000921181501 713719110 /nfs/dbraw/zinc/71/91/10/713719110.db2.gz QRHRALNNDAXOAD-UHFFFAOYSA-N 0 2 302.396 1.187 20 30 DDEDLN C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C)[nH]c3C2)C1 ZINC000969134967 719972241 /nfs/dbraw/zinc/97/22/41/719972241.db2.gz ASCZVJLHZLJRHT-QWHCGFSZSA-N 0 2 322.840 1.766 20 30 DDEDLN CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001023451813 735247578 /nfs/dbraw/zinc/24/75/78/735247578.db2.gz MPFCMULFTXCYNH-HZPDHXFCSA-N 0 2 314.433 1.297 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2n[nH]nc2C1 ZINC001028261452 739248268 /nfs/dbraw/zinc/24/82/68/739248268.db2.gz YWLOZVRSLJYLRS-RYUDHWBXSA-N 0 2 323.828 1.243 20 30 DDEDLN Cc1cc(O)c(NS(=O)(=O)CC#N)cc1Br ZINC001192981191 745940337 /nfs/dbraw/zinc/94/03/37/745940337.db2.gz YNCJXDXAWQLHGB-UHFFFAOYSA-N 0 2 305.153 1.728 20 30 DDEDLN COC(=O)c1ccc(NS(=O)(=O)[C@@H](C)C#N)cc1Cl ZINC001193139866 745994589 /nfs/dbraw/zinc/99/45/89/745994589.db2.gz OGUVBSBWBDKPEF-ZETCQYMHSA-N 0 2 302.739 1.780 20 30 DDEDLN N#Cc1cccc(C(=O)n2oc(=O)nc2-c2ccc(N)cc2)c1O ZINC001193653207 746166624 /nfs/dbraw/zinc/16/66/24/746166624.db2.gz UZDQUVYMAXIWKD-UHFFFAOYSA-N 0 2 322.280 1.351 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2ccc(F)c(C#N)c2F)[nH]n1 ZINC001194289140 746344661 /nfs/dbraw/zinc/34/46/61/746344661.db2.gz ZEBDQGATDUHJRT-UHFFFAOYSA-N 0 2 306.228 1.598 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2ccc(F)c(C#N)c2F)n[nH]1 ZINC001194289140 746344668 /nfs/dbraw/zinc/34/46/68/746344668.db2.gz ZEBDQGATDUHJRT-UHFFFAOYSA-N 0 2 306.228 1.598 20 30 DDEDLN C[N@@H+](CC#Cc1ccccc1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194448592 746388098 /nfs/dbraw/zinc/38/80/98/746388098.db2.gz HVDAYTSYKYNSTC-SFHVURJKSA-N 0 2 322.412 1.468 20 30 DDEDLN COc1cc(C)c(S(=O)(=O)Nc2cncc(C#N)n2)c(C)c1 ZINC001196849194 746979572 /nfs/dbraw/zinc/97/95/72/746979572.db2.gz RWSRNUPLVJIDFC-UHFFFAOYSA-N 0 2 318.358 1.775 20 30 DDEDLN C#CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001033206819 748920433 /nfs/dbraw/zinc/92/04/33/748920433.db2.gz JPGKWQTYLRUDLQ-GJZGRUSLSA-N 0 2 300.406 1.002 20 30 DDEDLN N#Cc1nccnc1N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001056803804 761443369 /nfs/dbraw/zinc/44/33/69/761443369.db2.gz APAVFRHZKUTGAO-APPZFPTMSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1nccnc1N[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001056803804 761443372 /nfs/dbraw/zinc/44/33/72/761443372.db2.gz APAVFRHZKUTGAO-APPZFPTMSA-N 0 2 317.246 1.261 20 30 DDEDLN CCOC(=O)[C@@H](C#N)Nc1nc2nc[nH]c2c(C(F)(F)F)n1 ZINC001170367580 766267575 /nfs/dbraw/zinc/26/75/75/766267575.db2.gz FNBZFPVSQPVJRX-RXMQYKEDSA-N 0 2 314.227 1.190 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1nccnc1C#N ZINC001113934622 766426010 /nfs/dbraw/zinc/42/60/10/766426010.db2.gz OPPKKBXXUODFEX-CBAPKCEASA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1nccnc1C#N ZINC001113934622 766426014 /nfs/dbraw/zinc/42/60/14/766426014.db2.gz OPPKKBXXUODFEX-CBAPKCEASA-N 0 2 319.262 1.190 20 30 DDEDLN C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001046319081 767416303 /nfs/dbraw/zinc/41/63/03/767416303.db2.gz PDQCQFZFFRACDK-RHSMWYFYSA-N 0 2 300.406 1.434 20 30 DDEDLN Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H](Nc2ccc(C#N)nc2)C1 ZINC001091360203 772704685 /nfs/dbraw/zinc/70/46/85/772704685.db2.gz ZTWZOMRTDLPWLD-JNSHFYNHSA-N 0 2 324.388 1.534 20 30 DDEDLN C=C(C)CCC(=O)N(CCC)[C@@H]1CC[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001267541408 838274047 /nfs/dbraw/zinc/27/40/47/838274047.db2.gz ACNLGYKQGPCJHU-CYBMUJFWSA-N 0 2 321.425 1.680 20 30 DDEDLN C=C(C)CCC(=O)N(CCC)[C@@H]1CC[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001267541408 838274054 /nfs/dbraw/zinc/27/40/54/838274054.db2.gz ACNLGYKQGPCJHU-CYBMUJFWSA-N 0 2 321.425 1.680 20 30 DDEDLN O=C(CC(F)(F)F)NCC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001409127857 844384762 /nfs/dbraw/zinc/38/47/62/844384762.db2.gz UOQKMEBBRAMHCB-ZETCQYMHSA-N 0 2 324.196 1.414 20 30 DDEDLN O=C(CC(F)(F)F)NCC1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001409127857 844384771 /nfs/dbraw/zinc/38/47/71/844384771.db2.gz UOQKMEBBRAMHCB-ZETCQYMHSA-N 0 2 324.196 1.414 20 30 DDEDLN C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCc3cn[nH]c32)C1 ZINC001034213557 848120415 /nfs/dbraw/zinc/12/04/15/848120415.db2.gz ZPNWZEAUDMYPCR-HUUCEWRRSA-N 0 2 302.422 1.986 20 30 DDEDLN CCOC(=O)C(C#N)Nc1nc(SC)nc(Cl)c1C#N ZINC001159324353 865225312 /nfs/dbraw/zinc/22/53/12/865225312.db2.gz WAEKZPPWNOTDCI-SSDOTTSWSA-N 0 2 311.754 1.013 20 30 DDEDLN CCOC(=O)[C@@H](C#N)Nc1nc(SC)nc(Cl)c1C#N ZINC001159324353 865225327 /nfs/dbraw/zinc/22/53/27/865225327.db2.gz WAEKZPPWNOTDCI-SSDOTTSWSA-N 0 2 311.754 1.013 20 30 DDEDLN CC#CC[N@H+](C)CCN(C(=O)[C@@H](C)CN1CCOCC1)C(C)C ZINC001332740263 866109463 /nfs/dbraw/zinc/10/94/63/866109463.db2.gz GKFDYBYKBLXCJZ-KRWDZBQOSA-N 0 2 323.481 1.147 20 30 DDEDLN Cc1ccccc1OCCCNc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001336512907 868986042 /nfs/dbraw/zinc/98/60/42/868986042.db2.gz CBWJSXJTVCTCAK-UHFFFAOYSA-N 0 2 314.345 1.135 20 30 DDEDLN C#CCCCC(=O)NC[C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001297743785 870167181 /nfs/dbraw/zinc/16/71/81/870167181.db2.gz DPZOUTBGLIZBCI-KOLCDFICSA-N 0 2 310.291 1.559 20 30 DDEDLN C#CCCCC(=O)NC[C@@H](C)CNC(=O)[C@H](F)C(F)(F)F ZINC001297743785 870167185 /nfs/dbraw/zinc/16/71/85/870167185.db2.gz DPZOUTBGLIZBCI-KOLCDFICSA-N 0 2 310.291 1.559 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CCC[C@H](C#N)C1 ZINC001339091312 870343811 /nfs/dbraw/zinc/34/38/11/870343811.db2.gz RRXVXJZTGIPMNJ-SECBINFHSA-N 0 2 318.772 1.643 20 30 DDEDLN N#Cc1cc(F)cc(NS(=O)(=O)c2cnc(Cl)nc2)c1 ZINC000720248472 870664472 /nfs/dbraw/zinc/66/44/72/870664472.db2.gz IDIGDCDLIVUBFX-UHFFFAOYSA-N 0 2 312.713 1.942 20 30 DDEDLN C=CCn1c(Nc2cnn(C)c2)nnc1-c1c[nH]n(CC)c1=O ZINC001342025225 871958817 /nfs/dbraw/zinc/95/88/17/871958817.db2.gz BVEBURKNQFFANE-UHFFFAOYSA-N 0 2 314.353 1.530 20 30 DDEDLN N#CC(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)c1ccncn1 ZINC001342582264 872274218 /nfs/dbraw/zinc/27/42/18/872274218.db2.gz WBQZRCDFJGELDT-NRPADANISA-N 0 2 312.251 1.110 20 30 DDEDLN CC(C)C#CC(=O)N[C@H]1CCCN(C(=O)C(F)C(F)(F)F)C1 ZINC001351084253 876049976 /nfs/dbraw/zinc/04/99/76/876049976.db2.gz PNDZBLJTWFNGIL-CMPLNLGQSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)N[C@H]1CCCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001351084253 876049994 /nfs/dbraw/zinc/04/99/94/876049994.db2.gz PNDZBLJTWFNGIL-CMPLNLGQSA-N 0 2 322.302 1.653 20 30 DDEDLN COc1ccc(OC)c(/C(=N/O)OC2CN(CCC#N)C2)c1 ZINC001223891291 881136401 /nfs/dbraw/zinc/13/64/01/881136401.db2.gz HJNSCBUYUCEYIW-ICFOKQHNSA-N 0 2 305.334 1.454 20 30 DDEDLN C=CCCC(=O)N(C)C1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001288293678 912817019 /nfs/dbraw/zinc/81/70/19/912817019.db2.gz GVIWDWSPPYFLNK-UHFFFAOYSA-N 0 2 304.394 1.332 20 30 DDEDLN CC[C@@H](C)[N@H+](CC(=O)OC)Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001363236148 885786609 /nfs/dbraw/zinc/78/66/09/885786609.db2.gz ZRXXUJLREDIFHX-SNVBAGLBSA-N 0 2 317.349 1.080 20 30 DDEDLN CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001363236148 885786613 /nfs/dbraw/zinc/78/66/13/885786613.db2.gz ZRXXUJLREDIFHX-SNVBAGLBSA-N 0 2 317.349 1.080 20 30 DDEDLN COCCn1nc(C)cc1NS(=O)(=O)c1ccc(C#N)cc1 ZINC001258045634 898031237 /nfs/dbraw/zinc/03/12/37/898031237.db2.gz RTXQDFOTEGPMLU-UHFFFAOYSA-N 0 2 320.374 1.510 20 30 DDEDLN CCOC(=O)[C@@H](C#N)NS(=O)(=O)c1ccc(F)cc1Cl ZINC001258919544 898359583 /nfs/dbraw/zinc/35/95/83/898359583.db2.gz WCPYMFBUNJAGET-SECBINFHSA-N 0 2 320.729 1.213 20 30 DDEDLN Cc1cc2ncc(NS(=O)(=O)c3cccc(C#N)c3)cn2n1 ZINC001259118572 898476862 /nfs/dbraw/zinc/47/68/62/898476862.db2.gz RTSJBIZROUMPLL-UHFFFAOYSA-N 0 2 313.342 1.710 20 30 DDEDLN Cn1c(Cl)cnc1C(C#N)C(=O)c1ncn(C(C)(C)C)n1 ZINC001263615736 900649606 /nfs/dbraw/zinc/64/96/06/900649606.db2.gz DSLREIWJXZCOKN-QMMMGPOBSA-N 0 2 306.757 1.910 20 30 DDEDLN C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000278667478 214312420 /nfs/dbraw/zinc/31/24/20/214312420.db2.gz GEQTXCWJCPBRHG-CHWSQXEVSA-N 0 2 315.329 1.950 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1 ZINC000589551782 355001215 /nfs/dbraw/zinc/00/12/15/355001215.db2.gz CFMFVJBAZADFHY-UHFFFAOYSA-N 0 2 301.331 1.421 20 30 DDEDLN C=CCCO[C@@H](C)C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000590961231 355224924 /nfs/dbraw/zinc/22/49/24/355224924.db2.gz WYOIHTWXIJMYBG-JTQLQIEISA-N 0 2 303.318 1.950 20 30 DDEDLN CC(C)C[C@H](Nc1[nH+]cnc2c1cnn2CCC#N)C(=O)[O-] ZINC000591325104 355289130 /nfs/dbraw/zinc/28/91/30/355289130.db2.gz LDDAMBXWDRASGU-NSHDSACASA-N 0 2 302.338 1.651 20 30 DDEDLN CCn1ncc(C#N)c1NS(=O)(=O)C[C@@H](OC)C(C)C ZINC000592385168 355571876 /nfs/dbraw/zinc/57/18/76/355571876.db2.gz PHCGQOHTQZOXDA-LLVKDONJSA-N 0 2 300.384 1.187 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@@H](C)C(=O)[C@H](C)C2)cc1C#N ZINC000618093115 363457576 /nfs/dbraw/zinc/45/75/76/363457576.db2.gz PHVWCYRLDVFIRR-RKDXNWHRSA-N 0 2 319.386 1.678 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C[C@H](C)O)C2CC2)cc1C#N ZINC000594415457 356202959 /nfs/dbraw/zinc/20/29/59/356202959.db2.gz PMWAGYCMSMPOKW-QMMMGPOBSA-N 0 2 307.375 1.366 20 30 DDEDLN CC[C@H](C#N)S(=O)(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000596019650 356747705 /nfs/dbraw/zinc/74/77/05/356747705.db2.gz AKKJJHDGCVVZAS-SSDOTTSWSA-N 0 2 318.742 1.874 20 30 DDEDLN COC1CC(CCNC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000597860484 357362193 /nfs/dbraw/zinc/36/21/93/357362193.db2.gz GHAUVKSNMJYNGB-UHFFFAOYSA-N 0 2 321.402 1.926 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H](O)C23CCC3)cc1C#N ZINC000598314548 357536959 /nfs/dbraw/zinc/53/69/59/357536959.db2.gz YBRLDMOINXCHOV-GHMZBOCLSA-N 0 2 319.386 1.414 20 30 DDEDLN C#CCOc1ccccc1NS(=O)(=O)c1c(C)nn(C)c1C ZINC000187084309 200058996 /nfs/dbraw/zinc/05/89/96/200058996.db2.gz FCRQMZLJUJPTHZ-UHFFFAOYSA-N 0 2 319.386 1.850 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cc(F)ccc2O)cc1C#N ZINC000336847337 249253343 /nfs/dbraw/zinc/25/33/43/249253343.db2.gz DNGFGZXBTGWWMV-UHFFFAOYSA-N 0 2 307.306 1.907 20 30 DDEDLN C/N=C1\SC(CC(=O)Nc2ccc(C#N)cc2)C(=O)N1C ZINC000077397453 406988926 /nfs/dbraw/zinc/98/89/26/406988926.db2.gz JACRXLFVYZZEJR-NLPIWRNCSA-N 0 2 302.359 1.446 20 30 DDEDLN C/N=C1\S[C@@H](CC(=O)Nc2ccc(C#N)cc2)C(=O)N1C ZINC000077397453 406988929 /nfs/dbraw/zinc/98/89/29/406988929.db2.gz JACRXLFVYZZEJR-NLPIWRNCSA-N 0 2 302.359 1.446 20 30 DDEDLN CC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)nc1 ZINC000131694602 407749343 /nfs/dbraw/zinc/74/93/43/407749343.db2.gz LMEVNRIYUWHMPP-UHFFFAOYSA-N 0 2 301.327 1.957 20 30 DDEDLN Cc1nn(C)cc1S(=O)(=O)Nc1ccccc1O[C@H](C)C#N ZINC000288516140 409170521 /nfs/dbraw/zinc/17/05/21/409170521.db2.gz NIUPMXZKVDPBCT-SNVBAGLBSA-N 0 2 320.374 1.820 20 30 DDEDLN C=CC[C@H](CO)NC(=O)c1cc(Br)c(F)cc1O ZINC000295982884 409391766 /nfs/dbraw/zinc/39/17/66/409391766.db2.gz LIDUXRZXXYJVHI-SSDOTTSWSA-N 0 2 318.142 1.961 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C#N ZINC000357165057 409912554 /nfs/dbraw/zinc/91/25/54/409912554.db2.gz OKQJOCSTRQBKED-UHFFFAOYSA-N 0 2 311.257 2.497 20 30 DDEDLN N#Cc1c(NCCCc2n[nH]c(=O)[nH]2)nc2cc(Cl)ccn21 ZINC000342825490 409928690 /nfs/dbraw/zinc/92/86/90/409928690.db2.gz PHHQPPPSSAANLU-UHFFFAOYSA-N 0 2 317.740 1.728 20 30 DDEDLN N#Cc1nc(NC(=O)c2cc(Cc3ccccc3)[nH]n2)[nH]c1C#N ZINC000351250647 410049427 /nfs/dbraw/zinc/04/94/27/410049427.db2.gz KSLDYOMFMSLEJI-UHFFFAOYSA-N 0 2 317.312 1.719 20 30 DDEDLN C=C(C)COCCNC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000355358656 410465174 /nfs/dbraw/zinc/46/51/74/410465174.db2.gz ZSKFXKPALJEPCP-UHFFFAOYSA-N 0 2 318.333 1.067 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1ccccc1N1CCCC1=O ZINC000360191276 411096336 /nfs/dbraw/zinc/09/63/36/411096336.db2.gz YXTBKZMIIWCYFS-NSHDSACASA-N 0 2 307.375 1.857 20 30 DDEDLN N#CC(C(=O)c1ccoc1CC(N)=O)c1nc2ccccc2o1 ZINC000353649534 411098928 /nfs/dbraw/zinc/09/89/28/411098928.db2.gz YBDSBAVEYIEQCH-SNVBAGLBSA-N 0 2 309.281 1.939 20 30 DDEDLN N#C[C@H](C(=O)c1ccoc1CC(N)=O)c1nc2ccccc2o1 ZINC000353649534 411098932 /nfs/dbraw/zinc/09/89/32/411098932.db2.gz YBDSBAVEYIEQCH-SNVBAGLBSA-N 0 2 309.281 1.939 20 30 DDEDLN C=CCN(CCOC)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000191969440 222114373 /nfs/dbraw/zinc/11/43/73/222114373.db2.gz DIRUSKYZNNTHFC-UHFFFAOYSA-N 0 2 301.346 1.853 20 30 DDEDLN CCCc1nnc(NS(=O)(=O)c2cncc(C#N)c2)s1 ZINC000291010916 222071288 /nfs/dbraw/zinc/07/12/88/222071288.db2.gz WFIGHWFHKOSRFC-UHFFFAOYSA-N 0 2 309.376 1.558 20 30 DDEDLN Cn1cc(NS(=O)(=O)c2cccc(C#N)c2)c(C2CC2)n1 ZINC000291071944 222116232 /nfs/dbraw/zinc/11/62/32/222116232.db2.gz IVIHFJCDPKKIIY-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN Cc1nn(C)c(C)c1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000427112618 419597197 /nfs/dbraw/zinc/59/71/97/419597197.db2.gz BUZKBKWTIQHPRN-UHFFFAOYSA-N 0 2 305.363 1.413 20 30 DDEDLN CCNc1ccc(C#N)cc1NS(=O)(=O)c1cnn(C)c1 ZINC000439624291 420528859 /nfs/dbraw/zinc/52/88/59/420528859.db2.gz VGPVJRWZNDJVCD-UHFFFAOYSA-N 0 2 305.363 1.524 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@@H]2C[C@@H]3OCCC[C@H]23)cc1C#N ZINC000440026020 420550652 /nfs/dbraw/zinc/55/06/52/420550652.db2.gz JTCJHFIWKXQLDR-JLLWLGSASA-N 0 2 319.386 1.678 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H](C)C[C@H](C)O)cc1C#N ZINC000349756988 269815540 /nfs/dbraw/zinc/81/55/40/269815540.db2.gz IYYVKFYTVUNYTA-BDAKNGLRSA-N 0 2 309.391 1.518 20 30 DDEDLN N#CCC1CCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)CC1 ZINC000541050025 421786201 /nfs/dbraw/zinc/78/62/01/421786201.db2.gz AUYCZQAITSVFMQ-UHFFFAOYSA-N 0 2 312.329 1.796 20 30 DDEDLN N#Cc1c2c(cnc1N1CCC(c3n[nH]c(=O)[nH]3)CC1)CCC2 ZINC000581425632 421970786 /nfs/dbraw/zinc/97/07/86/421970786.db2.gz PUCGLSJXVWMHGY-UHFFFAOYSA-N 0 2 310.361 1.650 20 30 DDEDLN C=CCC1(C(=O)N=c2ccc(C(=O)NC)n[nH]2)CCCCC1 ZINC000650818883 423271871 /nfs/dbraw/zinc/27/18/71/423271871.db2.gz AABACJUKAXJSKK-UHFFFAOYSA-N 0 2 302.378 1.723 20 30 DDEDLN CCCCCN(CCO)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000128296860 281306491 /nfs/dbraw/zinc/30/64/91/281306491.db2.gz SSCONBABYKRNJX-UHFFFAOYSA-N 0 2 323.418 1.593 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc3nc4n(c3c2)CCC4)[nH]c1C#N ZINC000363013241 300198599 /nfs/dbraw/zinc/19/85/99/300198599.db2.gz GRMWOMHEHWLXBO-UHFFFAOYSA-N 0 2 317.312 1.701 20 30 DDEDLN CCn1cc(-c2nn(C)cc2C(=O)C(C#N)c2ccncn2)cn1 ZINC000548631656 341267992 /nfs/dbraw/zinc/26/79/92/341267992.db2.gz MZBUOQNUCLVUPM-LBPRGKRZSA-N 0 2 321.344 1.584 20 30 DDEDLN CCn1cc(-c2nn(C)cc2C(=O)[C@@H](C#N)c2ccncn2)cn1 ZINC000548631656 341267993 /nfs/dbraw/zinc/26/79/93/341267993.db2.gz MZBUOQNUCLVUPM-LBPRGKRZSA-N 0 2 321.344 1.584 20 30 DDEDLN CC(C)[C@@H](O)CCNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000331245267 528616767 /nfs/dbraw/zinc/61/67/67/528616767.db2.gz RKBQNHYFYGPGGG-VIFPVBQESA-N 0 2 300.428 1.990 20 30 DDEDLN CC[C@@H](C#N)S(=O)(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000416958914 529271138 /nfs/dbraw/zinc/27/11/38/529271138.db2.gz PKHDSHABKAUKQU-RYUDHWBXSA-N 0 2 310.375 1.898 20 30 DDEDLN Cc1cccn2cc(CCNC(=O)[C@](C)(C#N)CC(=O)[O-])[nH+]c12 ZINC000821125193 598229351 /nfs/dbraw/zinc/22/93/51/598229351.db2.gz ARMNRTZWHOHWRP-INIZCTEOSA-N 0 2 314.345 1.306 20 30 DDEDLN Cc1ccn(CCOc2ccc(C#N)cc2)c(=O)c1-c1nn[nH]n1 ZINC000822374338 607349747 /nfs/dbraw/zinc/34/97/47/607349747.db2.gz RPKJWTSIHHANIC-UHFFFAOYSA-N 0 2 322.328 1.288 20 30 DDEDLN N#Cc1ccc(CNC(=O)C[NH2+][C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000739119200 599781968 /nfs/dbraw/zinc/78/19/68/599781968.db2.gz ZSPJCEIXKJQWOM-KRWDZBQOSA-N 0 2 323.352 1.590 20 30 DDEDLN N#CCCN(C(=O)C[N@H+]1CCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000739072034 600222962 /nfs/dbraw/zinc/22/29/62/600222962.db2.gz DGLGDQMSAOEOKV-AWEZNQCLSA-N 0 2 301.346 1.482 20 30 DDEDLN N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000739072034 600222964 /nfs/dbraw/zinc/22/29/64/600222964.db2.gz DGLGDQMSAOEOKV-AWEZNQCLSA-N 0 2 301.346 1.482 20 30 DDEDLN N#Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2)C(=O)[O-])cc1 ZINC000739107553 600595100 /nfs/dbraw/zinc/59/51/00/600595100.db2.gz RXPWUWDOEUKEOZ-INIZCTEOSA-N 0 2 309.325 1.912 20 30 DDEDLN C[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830940758 600681976 /nfs/dbraw/zinc/68/19/76/600681976.db2.gz JEDQOUKWZSZZLH-KGLIPLIRSA-N 0 2 302.330 1.711 20 30 DDEDLN C[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000830940758 600681978 /nfs/dbraw/zinc/68/19/78/600681978.db2.gz JEDQOUKWZSZZLH-KGLIPLIRSA-N 0 2 302.330 1.711 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000827881833 603815067 /nfs/dbraw/zinc/81/50/67/603815067.db2.gz IPLOQZADOVITFI-GFCCVEGCSA-N 0 2 308.382 1.013 20 30 DDEDLN CN(C(=O)[O-])[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000827881833 603815069 /nfs/dbraw/zinc/81/50/69/603815069.db2.gz IPLOQZADOVITFI-GFCCVEGCSA-N 0 2 308.382 1.013 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000825359750 604597240 /nfs/dbraw/zinc/59/72/40/604597240.db2.gz MNCAZBXJZSSPJB-DOMZBBRYSA-N 0 2 319.361 1.446 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000825359750 604597244 /nfs/dbraw/zinc/59/72/44/604597244.db2.gz MNCAZBXJZSSPJB-DOMZBBRYSA-N 0 2 319.361 1.446 20 30 DDEDLN C=CCOc1ccc(C[N@@H+]2CCO[C@@H](CC(=O)[O-])C2)cc1OC ZINC000833377685 604652101 /nfs/dbraw/zinc/65/21/01/604652101.db2.gz IOSFZFOPXDYWJF-AWEZNQCLSA-N 0 2 321.373 1.936 20 30 DDEDLN C=CCOc1ccc(C[N@H+]2CCO[C@@H](CC(=O)[O-])C2)cc1OC ZINC000833377685 604652104 /nfs/dbraw/zinc/65/21/04/604652104.db2.gz IOSFZFOPXDYWJF-AWEZNQCLSA-N 0 2 321.373 1.936 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000833816096 605353306 /nfs/dbraw/zinc/35/33/06/605353306.db2.gz CEOPNJKBYPXHTB-IUODEOHRSA-N 0 2 303.362 1.610 20 30 DDEDLN C[C@@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000833816096 605353313 /nfs/dbraw/zinc/35/33/13/605353313.db2.gz CEOPNJKBYPXHTB-IUODEOHRSA-N 0 2 303.362 1.610 20 30 DDEDLN Cn1ccnc1C(=O)C(C#N)=C(O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000123052450 696727993 /nfs/dbraw/zinc/72/79/93/696727993.db2.gz VJOMPYXIHGHURL-STQMWFEESA-N 0 2 323.308 1.093 20 30 DDEDLN Cn1ccnc1C(=O)[C@@H](C#N)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000123052450 696727998 /nfs/dbraw/zinc/72/79/98/696727998.db2.gz VJOMPYXIHGHURL-STQMWFEESA-N 0 2 323.308 1.093 20 30 DDEDLN CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000977390174 696141050 /nfs/dbraw/zinc/14/10/50/696141050.db2.gz QCLMMERYRAELFX-MRXNPFEDSA-N 0 2 305.466 1.568 20 30 DDEDLN C[C@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1[nH]ncc1F ZINC000984034153 697331163 /nfs/dbraw/zinc/33/11/63/697331163.db2.gz MLAWIJVCKCQSIY-MXWKQRLJSA-N 0 2 321.356 1.065 20 30 DDEDLN Cn1c(=O)c2ccc(C(=O)O[C@@H](C#N)C3CC3)cc2[nH]c1=S ZINC000176059925 697400534 /nfs/dbraw/zinc/40/05/34/697400534.db2.gz PGGUSQOETMKCAJ-LBPRGKRZSA-N 0 2 315.354 1.681 20 30 DDEDLN C#CCCCCCOC(=O)Cc1c(C)nc2cc[nH]n2c1=O ZINC000185328595 697516670 /nfs/dbraw/zinc/51/66/70/697516670.db2.gz KDMHYJWGVBZDTE-UHFFFAOYSA-N 0 2 301.346 1.610 20 30 DDEDLN COc1ncc(C(=O)[C@H](C#N)c2nc3c(nccc3C)[nH]2)cn1 ZINC000750731100 700243763 /nfs/dbraw/zinc/24/37/63/700243763.db2.gz USLTUAQEKIUXEU-JTQLQIEISA-N 0 2 308.301 1.555 20 30 DDEDLN C#C[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccc(F)cc1 ZINC000794897273 699834546 /nfs/dbraw/zinc/83/45/46/699834546.db2.gz WRPFOQPAYBOXRL-GHMZBOCLSA-N 0 2 305.334 1.173 20 30 DDEDLN N#CC(C(=O)C1=COCC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000744026140 699932950 /nfs/dbraw/zinc/93/29/50/699932950.db2.gz JZVIINOQTGITSD-LBPRGKRZSA-N 0 2 322.328 1.678 20 30 DDEDLN COCC#CCOC(=O)c1nn(-c2cc(C)ccc2F)cc1O ZINC000801415720 700305544 /nfs/dbraw/zinc/30/55/44/700305544.db2.gz AECZCWJPIFIRNM-UHFFFAOYSA-N 0 2 318.304 1.832 20 30 DDEDLN Cc1cc(F)c(S(=O)(=O)Nc2cnn(CC#N)c2)cc1F ZINC000762607625 700900119 /nfs/dbraw/zinc/90/01/19/700900119.db2.gz ROHDEGXYBDWJLK-UHFFFAOYSA-N 0 2 312.301 1.794 20 30 DDEDLN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)C(F)C(F)(F)F ZINC000764416817 700970038 /nfs/dbraw/zinc/97/00/38/700970038.db2.gz ILCBRXICIXGJGH-RQJHMYQMSA-N 0 2 310.213 1.887 20 30 DDEDLN O=C(NC[C@H]1CCN(CC(F)(F)F)C1)[C@H](F)C(F)(F)F ZINC000764416817 700970039 /nfs/dbraw/zinc/97/00/39/700970039.db2.gz ILCBRXICIXGJGH-RQJHMYQMSA-N 0 2 310.213 1.887 20 30 DDEDLN CSCCNC(=S)NN=Cc1ccc([N+](=O)[O-])c(O)c1 ZINC000769602537 701250081 /nfs/dbraw/zinc/25/00/81/701250081.db2.gz NUHXPFKAALJKEF-UHFFFAOYSA-N 0 2 314.392 1.461 20 30 DDEDLN CC(C)c1csc([C@@H](C#N)C(=O)CCn2ncn(C)c2=O)n1 ZINC000815970614 701979093 /nfs/dbraw/zinc/97/90/93/701979093.db2.gz DYLATPQWRCPAKV-JTQLQIEISA-N 0 2 319.390 1.428 20 30 DDEDLN C=CC[C@H](Cc1ccccc1)NC(=O)C[C@H]1SC(=N)NC1=O ZINC000840538063 702146639 /nfs/dbraw/zinc/14/66/39/702146639.db2.gz MQVKXLOLFHHTOG-CHWSQXEVSA-N 0 2 317.414 1.846 20 30 DDEDLN N#Cc1cccc2c1CCN2C(=O)CC1SC(=N)NC1=O ZINC000817639039 702432140 /nfs/dbraw/zinc/43/21/40/702432140.db2.gz FXZZVQBINADLAD-NSHDSACASA-N 0 2 300.343 1.004 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2CCC(=O)C2)n1 ZINC000842699539 702758950 /nfs/dbraw/zinc/75/89/50/702758950.db2.gz AMPHAAWIBBUVDZ-PSASIEDQSA-N 0 2 306.343 1.865 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2CCC(=O)C2)n1 ZINC000842699539 702758952 /nfs/dbraw/zinc/75/89/52/702758952.db2.gz AMPHAAWIBBUVDZ-PSASIEDQSA-N 0 2 306.343 1.865 20 30 DDEDLN Cc1ccc(COCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000857013125 704547069 /nfs/dbraw/zinc/54/70/69/704547069.db2.gz GEAGPEGBUATDPR-CQSZACIVSA-N 0 2 311.341 1.837 20 30 DDEDLN CCN(CCC#N)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000858705243 704746452 /nfs/dbraw/zinc/74/64/52/704746452.db2.gz YMZZWTIGGUKGHA-UHFFFAOYSA-N 0 2 317.267 1.834 20 30 DDEDLN CC(C)(C(=O)NCCCc1n[nH]c(=O)[nH]1)c1ccc(C#N)cc1 ZINC000863892933 706031882 /nfs/dbraw/zinc/03/18/82/706031882.db2.gz FGRVVJDBMOJGOQ-UHFFFAOYSA-N 0 2 313.361 1.409 20 30 DDEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1cccc(CC#N)n1 ZINC000882473826 707646992 /nfs/dbraw/zinc/64/69/92/707646992.db2.gz WQHUKHVTBQXLGG-UHFFFAOYSA-N 0 2 314.267 1.543 20 30 DDEDLN Cc1cc([C@@H](C#N)C(=O)[C@@H]2CCC(=O)N2C(C)C)nc(C)n1 ZINC000873498607 707876168 /nfs/dbraw/zinc/87/61/68/707876168.db2.gz XLXIWEFNNHXNDI-OCCSQVGLSA-N 0 2 300.362 1.669 20 30 DDEDLN Cn1nc(C2CC2)cc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000901814743 710154197 /nfs/dbraw/zinc/15/41/97/710154197.db2.gz BHQKTNZISQNDCX-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC000911386931 710773377 /nfs/dbraw/zinc/77/33/77/710773377.db2.gz LFLUEZGJVSYUEY-HNNXBMFYSA-N 0 2 311.341 1.902 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC000911386931 710773383 /nfs/dbraw/zinc/77/33/83/710773383.db2.gz LFLUEZGJVSYUEY-HNNXBMFYSA-N 0 2 311.341 1.902 20 30 DDEDLN COCCCNC(=S)NN=Cc1cc([N+](=O)[O-])ccc1O ZINC000916282357 713449734 /nfs/dbraw/zinc/44/97/34/713449734.db2.gz QCMLVPALQBYGFN-UHFFFAOYSA-N 0 2 312.351 1.135 20 30 DDEDLN C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCc2sccc2C1 ZINC000962721443 717566049 /nfs/dbraw/zinc/56/60/49/717566049.db2.gz POPCQWDJRNZHMV-HALDLXJZSA-N 0 2 317.458 1.339 20 30 DDEDLN C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000968925440 719875081 /nfs/dbraw/zinc/87/50/81/719875081.db2.gz DHMWURZFWOIBRK-HOTGVXAUSA-N 0 2 316.449 1.992 20 30 DDEDLN C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001021644158 733397421 /nfs/dbraw/zinc/39/74/21/733397421.db2.gz DWLUDCQGAIMTAE-HZPDHXFCSA-N 0 2 300.406 1.219 20 30 DDEDLN C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1occc1C[NH+](C)C ZINC001032592073 751466752 /nfs/dbraw/zinc/46/67/52/751466752.db2.gz FFACRLIXPMHJQC-GJZGRUSLSA-N 0 2 303.406 1.816 20 30 DDEDLN C=C(C)C(=O)OCCNc1ccc2nc(C(=O)OC)nc-2[nH]1 ZINC001168073359 741254323 /nfs/dbraw/zinc/25/43/23/741254323.db2.gz GBOWPUJSJNNETL-UHFFFAOYSA-N 0 2 304.306 1.276 20 30 DDEDLN C=C(C)C(=O)OCCNc1ccc2nc(C(=O)OC)[nH]c2n1 ZINC001168073359 741254326 /nfs/dbraw/zinc/25/43/26/741254326.db2.gz GBOWPUJSJNNETL-UHFFFAOYSA-N 0 2 304.306 1.276 20 30 DDEDLN CCOC(=O)C(C)(C)S(=O)(=O)Nc1ccc(C#N)c(F)c1 ZINC001193057186 745975092 /nfs/dbraw/zinc/97/50/92/745975092.db2.gz BDBQRSLBWIGNIA-UHFFFAOYSA-N 0 2 314.338 1.781 20 30 DDEDLN COc1cc(NS(=O)(=O)[C@H](C)C#N)cnc1Br ZINC001193106316 745980379 /nfs/dbraw/zinc/98/03/79/745980379.db2.gz FQYAKODSRBFYQI-ZCFIWIBFSA-N 0 2 320.168 1.506 20 30 DDEDLN COc1cc(NS(=O)(=O)[C@@H](C)C#N)cnc1Br ZINC001193106315 745980402 /nfs/dbraw/zinc/98/04/02/745980402.db2.gz FQYAKODSRBFYQI-LURJTMIESA-N 0 2 320.168 1.506 20 30 DDEDLN COC(=O)c1ccc(NS(=O)(=O)[C@H](C)C#N)c(F)c1F ZINC001193157122 746000338 /nfs/dbraw/zinc/00/03/38/746000338.db2.gz BBWXROMZEWPQBR-ZCFIWIBFSA-N 0 2 304.274 1.405 20 30 DDEDLN COC[C@@H](C)Oc1cc(NC(=O)c2cccc(C#N)c2O)[nH]n1 ZINC001193642618 746160149 /nfs/dbraw/zinc/16/01/49/746160149.db2.gz KCEVOZGVXUTUSM-SECBINFHSA-N 0 2 316.317 1.653 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2cc(C#N)ccc2OC)[nH]n1 ZINC001194288762 746343436 /nfs/dbraw/zinc/34/34/36/746343436.db2.gz NWKYYPIBMMJQKG-UHFFFAOYSA-N 0 2 300.274 1.329 20 30 DDEDLN COC(=O)c1cc(C(=O)Nc2cc(C#N)ccc2OC)n[nH]1 ZINC001194288762 746343443 /nfs/dbraw/zinc/34/34/43/746343443.db2.gz NWKYYPIBMMJQKG-UHFFFAOYSA-N 0 2 300.274 1.329 20 30 DDEDLN C#CCCCC(=O)NCC1(NC(=O)C(F)C(F)(F)F)CCC1 ZINC001062862790 753768993 /nfs/dbraw/zinc/76/89/93/753768993.db2.gz KNPVLMULRHCBKH-LLVKDONJSA-N 0 2 322.302 1.845 20 30 DDEDLN C#CCCCC(=O)NCC1(NC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001062862790 753768998 /nfs/dbraw/zinc/76/89/98/753768998.db2.gz KNPVLMULRHCBKH-LLVKDONJSA-N 0 2 322.302 1.845 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)C(F)C(F)(F)F)C2)cn1 ZINC001097258546 757025116 /nfs/dbraw/zinc/02/51/16/757025116.db2.gz RDTWMCRVNFUFRU-AXFHLTTASA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1ccc(N[C@H]2C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C2)cn1 ZINC001097258546 757025121 /nfs/dbraw/zinc/02/51/21/757025121.db2.gz RDTWMCRVNFUFRU-AXFHLTTASA-N 0 2 316.258 1.913 20 30 DDEDLN N#Cc1cnc(N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)cn1 ZINC001056804097 761444127 /nfs/dbraw/zinc/44/41/27/761444127.db2.gz OUMVBLJWXWLOBR-GMSGAONNSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1cnc(N[C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)cn1 ZINC001056804097 761444135 /nfs/dbraw/zinc/44/41/35/761444135.db2.gz OUMVBLJWXWLOBR-GMSGAONNSA-N 0 2 317.246 1.261 20 30 DDEDLN C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)C(F)C(F)(F)F ZINC001109274762 763536833 /nfs/dbraw/zinc/53/68/33/763536833.db2.gz JFSFTOHVSGGPEL-KWQFWETISA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@@H](CN(C)c1ccc(C#N)cn1)NC(=O)[C@H](F)C(F)(F)F ZINC001109274762 763536837 /nfs/dbraw/zinc/53/68/37/763536837.db2.gz JFSFTOHVSGGPEL-KWQFWETISA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1ncccc1C#N ZINC001113933804 766423648 /nfs/dbraw/zinc/42/36/48/766423648.db2.gz DDALGOFSIUWHRT-SCZZXKLOSA-N 0 2 318.274 1.795 20 30 DDEDLN C[C@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1ncccc1C#N ZINC001113933804 766423650 /nfs/dbraw/zinc/42/36/50/766423650.db2.gz DDALGOFSIUWHRT-SCZZXKLOSA-N 0 2 318.274 1.795 20 30 DDEDLN C#CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCc3cn[nH]c32)C1 ZINC001046319083 767417153 /nfs/dbraw/zinc/41/71/53/767417153.db2.gz PDQCQFZFFRACDK-WMLDXEAASA-N 0 2 300.406 1.434 20 30 DDEDLN C=C(Br)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000217316482 771178427 /nfs/dbraw/zinc/17/84/27/771178427.db2.gz SEHMUQVJYPQOOV-UHFFFAOYSA-N 0 2 301.096 1.939 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1ccncc1C#N ZINC001100747837 776495301 /nfs/dbraw/zinc/49/53/01/776495301.db2.gz FQRGMAZHKMDSOE-LLVKDONJSA-N 0 2 318.274 1.796 20 30 DDEDLN CCN(CCNC(=O)[C@@H](F)C(F)(F)F)c1ccncc1C#N ZINC001100747837 776495308 /nfs/dbraw/zinc/49/53/08/776495308.db2.gz FQRGMAZHKMDSOE-LLVKDONJSA-N 0 2 318.274 1.796 20 30 DDEDLN CNS(=O)(=O)c1ccc(NC2=C(C#N)C(=O)CS2)cc1 ZINC001174263779 777447159 /nfs/dbraw/zinc/44/71/59/777447159.db2.gz KXDRQCUHQVOGBL-UHFFFAOYSA-N 0 2 309.372 1.977 20 30 DDEDLN C=CCC(F)(F)C(=O)N(C)CCc1nc(O)c(C)c(=O)[nH]1 ZINC001456255789 854791760 /nfs/dbraw/zinc/79/17/60/854791760.db2.gz XYKVRYOFEDOTQI-UHFFFAOYSA-N 0 2 301.293 1.409 20 30 DDEDLN Cc1ccc(NC(=O)Cn2c(=O)[nH]cc(C#N)c2=O)c(Cl)c1 ZINC001412923310 855782238 /nfs/dbraw/zinc/78/22/38/855782238.db2.gz ROERZZIGAOGBTQ-UHFFFAOYSA-N 0 2 318.720 1.009 20 30 DDEDLN Cc1[nH]c(=O)[nH]c(=S)c1C(=O)NOc1cccc(C#N)c1 ZINC001302373377 871063384 /nfs/dbraw/zinc/06/33/84/871063384.db2.gz HCPRDSBHZZUIMG-UHFFFAOYSA-N 0 2 302.315 1.375 20 30 DDEDLN Cc1cc(C(C#N)C(=O)[C@H]2CCCN(C3CC3)C2=O)nc(C)n1 ZINC001343496418 872649019 /nfs/dbraw/zinc/64/90/19/872649019.db2.gz ZQNMMEOBXFVXJA-ZIAGYGMSSA-N 0 2 312.373 1.671 20 30 DDEDLN Cc1cc([C@@H](C#N)C(=O)[C@H]2CCCN(C3CC3)C2=O)nc(C)n1 ZINC001343496418 872649027 /nfs/dbraw/zinc/64/90/27/872649027.db2.gz ZQNMMEOBXFVXJA-ZIAGYGMSSA-N 0 2 312.373 1.671 20 30 DDEDLN O=C(C#CC1CC1)N[C@@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001350532570 875746974 /nfs/dbraw/zinc/74/69/74/875746974.db2.gz JRHWQIXEOIEPKD-MWLCHTKSSA-N 0 2 306.259 1.017 20 30 DDEDLN O=C(C#CC1CC1)N[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001350532570 875746977 /nfs/dbraw/zinc/74/69/77/875746977.db2.gz JRHWQIXEOIEPKD-MWLCHTKSSA-N 0 2 306.259 1.017 20 30 DDEDLN C=CC[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)C(=O)[O-] ZINC001350760304 875874989 /nfs/dbraw/zinc/87/49/89/875874989.db2.gz XBNCRWOFGKGKSV-GFCCVEGCSA-N 0 2 306.366 1.090 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001356767841 879321696 /nfs/dbraw/zinc/32/16/96/879321696.db2.gz VISDWUISUKLEPX-WCBMZHEXSA-N 0 2 310.291 1.816 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)N1CC(NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001356767841 879321706 /nfs/dbraw/zinc/32/17/06/879321706.db2.gz VISDWUISUKLEPX-WCBMZHEXSA-N 0 2 310.291 1.816 20 30 DDEDLN C#C[C@H](CC)Oc1nc(I)cc(=O)[nH]1 ZINC001228946347 883742390 /nfs/dbraw/zinc/74/23/90/883742390.db2.gz JADDRAHLSUETTC-ZCFIWIBFSA-N 0 2 304.087 1.577 20 30 DDEDLN CC(C)C#CC(=O)NCCC[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC001280832461 904093970 /nfs/dbraw/zinc/09/39/70/904093970.db2.gz PIHASSZREDFAOS-ZYHUDNBSSA-N 0 2 324.318 1.947 20 30 DDEDLN CC(C)C#CC(=O)NCCC[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F ZINC001280832461 904093987 /nfs/dbraw/zinc/09/39/87/904093987.db2.gz PIHASSZREDFAOS-ZYHUDNBSSA-N 0 2 324.318 1.947 20 30 DDEDLN C#CC[N@@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001284055769 908404847 /nfs/dbraw/zinc/40/48/47/908404847.db2.gz CAVXDCAGXMKWFR-RHSMWYFYSA-N 0 2 300.406 1.099 20 30 DDEDLN CCCN(CCNC(=O)C#CC(C)C)C(=O)C(F)C(F)(F)F ZINC001284703841 909375858 /nfs/dbraw/zinc/37/58/58/909375858.db2.gz VNQOAGLBGLKPED-GFCCVEGCSA-N 0 2 324.318 1.901 20 30 DDEDLN CCCN(CCNC(=O)C#CC(C)C)C(=O)[C@@H](F)C(F)(F)F ZINC001284703841 909375873 /nfs/dbraw/zinc/37/58/73/909375873.db2.gz VNQOAGLBGLKPED-GFCCVEGCSA-N 0 2 324.318 1.901 20 30 DDEDLN CC#CCCCC(=O)NC/C=C/CNC(=O)C(F)C(F)(F)F ZINC001285567324 910802714 /nfs/dbraw/zinc/80/27/14/910802714.db2.gz CERKSBPJQZXRGT-NNNHXZLVSA-N 0 2 322.302 1.869 20 30 DDEDLN CC#CCCCC(=O)NC/C=C/CNC(=O)[C@@H](F)C(F)(F)F ZINC001285567324 910802718 /nfs/dbraw/zinc/80/27/18/910802718.db2.gz CERKSBPJQZXRGT-NNNHXZLVSA-N 0 2 322.302 1.869 20 30 DDEDLN CN(C(=O)C#CC(C)(C)C)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001286010894 911563059 /nfs/dbraw/zinc/56/30/59/911563059.db2.gz HHKMXLDODZQLBE-LLVKDONJSA-N 0 2 322.302 1.606 20 30 DDEDLN CN(C(=O)C#CC(C)(C)C)C1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001286010894 911563079 /nfs/dbraw/zinc/56/30/79/911563079.db2.gz HHKMXLDODZQLBE-LLVKDONJSA-N 0 2 322.302 1.606 20 30 DDEDLN C#CCCCCCC(=O)N1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001297069513 916710712 /nfs/dbraw/zinc/71/07/12/916710712.db2.gz PWRMZAWOOKSPRX-LBPRGKRZSA-N 0 2 322.302 1.798 20 30 DDEDLN C#CCCCCCC(=O)N1CC(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001297069513 916710720 /nfs/dbraw/zinc/71/07/20/916710720.db2.gz PWRMZAWOOKSPRX-LBPRGKRZSA-N 0 2 322.302 1.798 20 30 DDEDLN Cc1nc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)ccc1C#N ZINC000328791964 231346533 /nfs/dbraw/zinc/34/65/33/231346533.db2.gz RCDBMUKRKYQQNX-NSHDSACASA-N 0 2 312.333 1.105 20 30 DDEDLN CC[C@]1(C)NC(=O)N(NC(=O)c2cc(C#N)ccc2Cl)C1=O ZINC000287215301 219385311 /nfs/dbraw/zinc/38/53/11/219385311.db2.gz RHUYQLUEIDTMSY-AWEZNQCLSA-N 0 2 320.736 1.577 20 30 DDEDLN Cc1cc2nc(C)c(CCC(=O)NC3=NC(=O)CN3)c(C)n2n1 ZINC000050222243 352564461 /nfs/dbraw/zinc/56/44/61/352564461.db2.gz DYBRDRXSDDCWKM-UHFFFAOYSA-N 0 2 314.349 1.029 20 30 DDEDLN CCn1cc(S(=O)(=O)NC(=O)C=Cc2ccncc2)cn1 ZINC000079173383 353553503 /nfs/dbraw/zinc/55/35/03/353553503.db2.gz BXSHTZXZQAXPOD-ONEGZZNKSA-N 0 2 306.347 1.657 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)c(F)c1 ZINC000358792236 299257016 /nfs/dbraw/zinc/25/70/16/299257016.db2.gz UDCJBXBMWYBMRS-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN N#C[C@@]1(NC(=O)C2=NN(c3ccccc3)CC2=O)CCSC1 ZINC000610337417 360416956 /nfs/dbraw/zinc/41/69/56/360416956.db2.gz HZHFAMQURFUDKX-HNNXBMFYSA-N 0 2 314.370 1.707 20 30 DDEDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C#N)nc1 ZINC000093928890 193329296 /nfs/dbraw/zinc/32/92/96/193329296.db2.gz AJSHLZITDQWYNQ-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN CCc1cc(NS(=O)(=O)c2ccc(C#N)cc2OC)n(C)n1 ZINC000185619734 407465655 /nfs/dbraw/zinc/46/56/55/407465655.db2.gz LECPASBRZIALFE-UHFFFAOYSA-N 0 2 320.374 1.664 20 30 DDEDLN N#Cc1nc(NC(=O)CSC[C@@H]2CCCCO2)[nH]c1C#N ZINC000171183533 407620284 /nfs/dbraw/zinc/62/02/84/407620284.db2.gz OAGVIWCWVMZHLL-VIFPVBQESA-N 0 2 305.363 1.394 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@]2(C)CCCO2)cc1C#N ZINC000153112571 407755930 /nfs/dbraw/zinc/75/59/30/407755930.db2.gz HTVBULFXCWLKHT-AWEZNQCLSA-N 0 2 307.375 1.267 20 30 DDEDLN Cc1nc(-c2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2)n[nH]1 ZINC000153247414 407786024 /nfs/dbraw/zinc/78/60/24/407786024.db2.gz IQHJUWPPLNKOIQ-UHFFFAOYSA-N 0 2 318.300 1.499 20 30 DDEDLN CC(C)(C)[C@H](C#N)NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000267985483 407856331 /nfs/dbraw/zinc/85/63/31/407856331.db2.gz JHSOGZDTLRQXPG-VIFPVBQESA-N 0 2 301.306 1.104 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N(CC#N)C3CC3)=N2)cc1 ZINC000272429354 407917591 /nfs/dbraw/zinc/91/75/91/407917591.db2.gz LBPAACUXQRTHGC-UHFFFAOYSA-N 0 2 312.329 1.715 20 30 DDEDLN COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)C1 ZINC000175191865 408074766 /nfs/dbraw/zinc/07/47/66/408074766.db2.gz XWIPSDXCDIZXDF-BDAKNGLRSA-N 0 2 301.306 1.071 20 30 DDEDLN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000175296209 408101216 /nfs/dbraw/zinc/10/12/16/408101216.db2.gz NNBNARMECHMRQP-MRVPVSSYSA-N 0 2 311.349 1.321 20 30 DDEDLN CC[C@@H](CCO)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000155467399 408168058 /nfs/dbraw/zinc/16/80/58/408168058.db2.gz WMYXQZTUPUMAAK-VIFPVBQESA-N 0 2 309.391 1.107 20 30 DDEDLN C=CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000276509573 408873153 /nfs/dbraw/zinc/87/31/53/408873153.db2.gz XJGJPCYGAISIJT-UHFFFAOYSA-N 0 2 307.463 1.900 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1nc(C(=O)OCC)c(C)o1 ZINC000291816745 408928120 /nfs/dbraw/zinc/92/81/20/408928120.db2.gz DNRHVWMSSCVHGF-UHFFFAOYSA-N 0 2 302.352 1.868 20 30 DDEDLN C=CCOCCCC(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000289101441 409218407 /nfs/dbraw/zinc/21/84/07/409218407.db2.gz RRFFMHNMKMHNLC-UHFFFAOYSA-N 0 2 302.334 1.686 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cn(C)nc2C(C)C)cc1C#N ZINC000320445558 164042187 /nfs/dbraw/zinc/04/21/87/164042187.db2.gz WXBWXVCAXNAZLZ-UHFFFAOYSA-N 0 2 319.390 1.919 20 30 DDEDLN N#C[C@@H](C(=O)c1ccoc1CC(N)=O)c1cnc2ccccc2n1 ZINC000354179169 409722813 /nfs/dbraw/zinc/72/28/13/409722813.db2.gz IKNNPNNKMPSJLH-LLVKDONJSA-N 0 2 320.308 1.741 20 30 DDEDLN CO[C@@H](CNC(=O)c1cc(C#N)c(SC)[nH]c1=O)C1CC1 ZINC000358156241 410385756 /nfs/dbraw/zinc/38/57/56/410385756.db2.gz LXKHLIOFHISJKQ-NSHDSACASA-N 0 2 307.375 1.536 20 30 DDEDLN N#Cc1c(C2CC2)[nH][nH]c1=NC(=O)c1c[nH]nc1-c1ccoc1 ZINC000359727917 410837441 /nfs/dbraw/zinc/83/74/41/410837441.db2.gz WMXUHUSQSSEELA-UHFFFAOYSA-N 0 2 308.301 2.394 20 30 DDEDLN N#Cc1ccc(NS(=O)(=O)c2ccc3ncsc3c2)nc1 ZINC000358745503 418654920 /nfs/dbraw/zinc/65/49/20/418654920.db2.gz FCZNBYBGZARKMD-UHFFFAOYSA-N 0 2 316.367 2.364 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1c(C)c(C)nn1C ZINC000362131080 418749538 /nfs/dbraw/zinc/74/95/38/418749538.db2.gz UIVBZFKSLURSFW-UHFFFAOYSA-N 0 2 320.374 1.718 20 30 DDEDLN C#CCn1cnc(-c2ccccc2)c1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000365126646 418838513 /nfs/dbraw/zinc/83/85/13/418838513.db2.gz DQHOCRAYPARJRI-STQMWFEESA-N 0 2 310.313 1.787 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)cc1C#N ZINC000427245771 419625531 /nfs/dbraw/zinc/62/55/31/419625531.db2.gz JHNDVQXRNZUXMJ-UHFFFAOYSA-N 0 2 314.330 1.334 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)cc1C#N ZINC000427245771 419625542 /nfs/dbraw/zinc/62/55/42/419625542.db2.gz JHNDVQXRNZUXMJ-UHFFFAOYSA-N 0 2 314.330 1.334 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)cc1C#N ZINC000427245771 419625549 /nfs/dbraw/zinc/62/55/49/419625549.db2.gz JHNDVQXRNZUXMJ-UHFFFAOYSA-N 0 2 314.330 1.334 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCC2(CCO)CC2)cc1C#N ZINC000428835071 419937528 /nfs/dbraw/zinc/93/75/28/419937528.db2.gz XCGAZFKIDOTKPA-UHFFFAOYSA-N 0 2 307.375 1.273 20 30 DDEDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)nn1CCC#N ZINC000436899450 420381382 /nfs/dbraw/zinc/38/13/82/420381382.db2.gz FADQHZAWPWDTFD-UHFFFAOYSA-N 0 2 315.289 1.971 20 30 DDEDLN C[S@](=O)c1ccc(CC(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000438234235 420447096 /nfs/dbraw/zinc/44/70/96/420447096.db2.gz LAYXSXYJTKPIQF-QFIPXVFZSA-N 0 2 313.342 1.072 20 30 DDEDLN C=CCC[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)OCC ZINC000456603728 420512352 /nfs/dbraw/zinc/51/23/52/420512352.db2.gz IXPMBGYCGYNPAW-GFCCVEGCSA-N 0 2 322.317 1.928 20 30 DDEDLN CC[C@@H](C)[C@](C)(O)CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000439506840 420519361 /nfs/dbraw/zinc/51/93/61/420519361.db2.gz SDEIAMZHWAJAKM-RFAUZJTJSA-N 0 2 323.418 1.908 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)NC(=O)/C=C/C2CCCCC2)cn1 ZINC000492688393 420630479 /nfs/dbraw/zinc/63/04/79/420630479.db2.gz JQCWIRWTQPBSOC-RMKNXTFCSA-N 0 2 319.386 1.895 20 30 DDEDLN CC(C)c1csc(C(C#N)C(=O)c2cn(C)c(=O)[nH]c2=O)n1 ZINC000530853726 421617256 /nfs/dbraw/zinc/61/72/56/421617256.db2.gz XMYHAHBYZOJVCQ-MRVPVSSYSA-N 0 2 318.358 1.556 20 30 DDEDLN CC(C)c1csc([C@H](C#N)C(=O)c2cn(C)c(=O)[nH]c2=O)n1 ZINC000530853726 421617258 /nfs/dbraw/zinc/61/72/58/421617258.db2.gz XMYHAHBYZOJVCQ-MRVPVSSYSA-N 0 2 318.358 1.556 20 30 DDEDLN CCC[C@@](C)(CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000344405785 266072081 /nfs/dbraw/zinc/07/20/81/266072081.db2.gz ATUIPKCXIQMNHT-AWEZNQCLSA-N 0 2 309.391 1.662 20 30 DDEDLN COc1cc(S(=O)(=O)Nc2cc(C#N)ccn2)ccc1F ZINC000352876125 266846472 /nfs/dbraw/zinc/84/64/72/266846472.db2.gz KBXXPXKSBGELKA-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccc(C(F)(F)F)nc2)[nH]c1C#N ZINC000026267401 303216788 /nfs/dbraw/zinc/21/67/88/303216788.db2.gz LWYOLQXFKYQOFO-UHFFFAOYSA-N 0 2 306.207 1.819 20 30 DDEDLN N#Cc1cccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000357519976 306891253 /nfs/dbraw/zinc/89/12/53/306891253.db2.gz DYCIPQNLASWIJL-UHFFFAOYSA-N 0 2 312.301 1.821 20 30 DDEDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CSCC#N ZINC000550122766 341310397 /nfs/dbraw/zinc/31/03/97/341310397.db2.gz JXOJBORCNWDFTI-UHFFFAOYSA-N 0 2 303.347 1.681 20 30 DDEDLN Cc1n[nH]c(NC(=O)CCCC(=O)Nc2ccccc2C#N)n1 ZINC000294508271 534459232 /nfs/dbraw/zinc/45/92/32/534459232.db2.gz HJZBVDPXKVEIBM-UHFFFAOYSA-N 0 2 312.333 1.732 20 30 DDEDLN CCO[C@H]1C[C@]([NH2+]Cc2nc(C#N)cs2)(C(=O)[O-])C1(C)C ZINC000417574809 528161918 /nfs/dbraw/zinc/16/19/18/528161918.db2.gz FARMQUZDGCQXCC-HZMBPMFUSA-N 0 2 309.391 1.763 20 30 DDEDLN COc1c(C)c[nH+]c(CN(C)C(=O)[C@](C)(C#N)CC(=O)[O-])c1C ZINC000820754787 597640242 /nfs/dbraw/zinc/64/02/42/597640242.db2.gz OOBYRTMENUAEPB-INIZCTEOSA-N 0 2 319.361 1.670 20 30 DDEDLN CC(=NNc1cc[nH+]c2ccccc12)c1cn(CC(=O)[O-])nn1 ZINC000825809528 604787598 /nfs/dbraw/zinc/78/75/98/604787598.db2.gz YOLLQIGJWFHCGT-UHFFFAOYSA-N 0 2 310.317 1.169 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)N(C)CC#N)cc2[nH]c1=S ZINC000120865993 696702687 /nfs/dbraw/zinc/70/26/87/696702687.db2.gz ZUAKVSIRJRAORC-UHFFFAOYSA-N 0 2 314.370 1.467 20 30 DDEDLN C#CCOc1ccccc1NS(=O)(=O)c1cncc(OC)c1 ZINC000799124146 700120378 /nfs/dbraw/zinc/12/03/78/700120378.db2.gz PYCREBBQQRRWBY-UHFFFAOYSA-N 0 2 318.354 1.903 20 30 DDEDLN CCNC(=O)N1CC[C@@H](/N=C/c2cc([N+](=O)[O-])ccc2O)C1 ZINC000155056659 696941908 /nfs/dbraw/zinc/94/19/08/696941908.db2.gz JTADPJDUWGHGMS-FNQVVVRFSA-N 0 2 306.322 1.523 20 30 DDEDLN N#Cc1ccc(SCC(=O)NCCc2n[nH]c(=S)o2)cc1 ZINC000776539507 698114586 /nfs/dbraw/zinc/11/45/86/698114586.db2.gz ZHJFNEQPXQNVSJ-UHFFFAOYSA-N 0 2 320.399 1.681 20 30 DDEDLN Cc1cc(C(=O)OCc2n[nH]c(=O)[nH]2)nn1-c1cccc(C#N)c1 ZINC000780194608 698495833 /nfs/dbraw/zinc/49/58/33/698495833.db2.gz IBMSFRUUNBHBMZ-UHFFFAOYSA-N 0 2 324.300 1.233 20 30 DDEDLN O=C(CC1S/C(=N/C2CCCC2)NC1=O)Nc1cnccn1 ZINC000730816632 699516701 /nfs/dbraw/zinc/51/67/01/699516701.db2.gz ZVXFKQKTYJLPKY-JTQLQIEISA-N 0 2 319.390 1.335 20 30 DDEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)C[C@H]2CCOC2)n1 ZINC000740539800 699794918 /nfs/dbraw/zinc/79/49/18/699794918.db2.gz UQCUXTNHUYDPIG-ZJUUUORDSA-N 0 2 308.359 1.923 20 30 DDEDLN N#CC(C(=O)CN1c2ccccc2OCCC1=O)c1ccncn1 ZINC000760342947 700803547 /nfs/dbraw/zinc/80/35/47/700803547.db2.gz ZMFDQHJYFSNDEQ-LBPRGKRZSA-N 0 2 322.324 1.469 20 30 DDEDLN N#C[C@H](C(=O)CN1c2ccccc2OCCC1=O)c1ccncn1 ZINC000760342947 700803548 /nfs/dbraw/zinc/80/35/48/700803548.db2.gz ZMFDQHJYFSNDEQ-LBPRGKRZSA-N 0 2 322.324 1.469 20 30 DDEDLN N#CCOC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000762941135 700917002 /nfs/dbraw/zinc/91/70/02/700917002.db2.gz OKRMKAPPGWYBGQ-UHFFFAOYSA-N 0 2 323.355 1.624 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)[C@@H]2C[C@@]23CCOC3)n1 ZINC000764759067 700985516 /nfs/dbraw/zinc/98/55/16/700985516.db2.gz KDFSGVJDPHXPDA-HFBDOXOYSA-N 0 2 320.370 1.923 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)[C@@H]2C[C@@]23CCOC3)n1 ZINC000764759067 700985518 /nfs/dbraw/zinc/98/55/18/700985518.db2.gz KDFSGVJDPHXPDA-HFBDOXOYSA-N 0 2 320.370 1.923 20 30 DDEDLN Cc1noc(C)c1[C@@H](C)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770863027 701298113 /nfs/dbraw/zinc/29/81/13/701298113.db2.gz PTJSKRGWXCBXPG-LDYMZIIASA-N 0 2 300.318 1.720 20 30 DDEDLN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)C(F)C(F)(F)F ZINC000810663108 701813850 /nfs/dbraw/zinc/81/38/50/701813850.db2.gz NDWIMVMLWLASCS-WDSKDSINSA-N 0 2 324.196 1.556 20 30 DDEDLN O=C(N[C@H]1CCCN(CC(F)(F)F)C1=O)[C@H](F)C(F)(F)F ZINC000810663108 701813858 /nfs/dbraw/zinc/81/38/58/701813858.db2.gz NDWIMVMLWLASCS-WDSKDSINSA-N 0 2 324.196 1.556 20 30 DDEDLN CC#CCN(C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000861845518 705584776 /nfs/dbraw/zinc/58/47/76/705584776.db2.gz REPFQNPCMNQKFM-UHFFFAOYSA-N 0 2 302.252 1.553 20 30 DDEDLN CC[C@H]1COCC[N@@H+]1CC/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000871596995 707133559 /nfs/dbraw/zinc/13/35/59/707133559.db2.gz IWDIVPLXYICPFY-RKPNYOAGSA-N 0 2 307.350 1.830 20 30 DDEDLN CC[C@H]1COCC[N@H+]1CC/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000871596995 707133562 /nfs/dbraw/zinc/13/35/62/707133562.db2.gz IWDIVPLXYICPFY-RKPNYOAGSA-N 0 2 307.350 1.830 20 30 DDEDLN C=CC[N@@H+](Cc1ccc(C)c(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000872157585 707309677 /nfs/dbraw/zinc/30/96/77/707309677.db2.gz SUGJFHNALLENLQ-CQSZACIVSA-N 0 2 323.414 1.868 20 30 DDEDLN C=CC[N@H+](Cc1ccc(C)c(C(=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000872157585 707309682 /nfs/dbraw/zinc/30/96/82/707309682.db2.gz SUGJFHNALLENLQ-CQSZACIVSA-N 0 2 323.414 1.868 20 30 DDEDLN Cc1cccc2c1[nH]cc(C(=O)N1CCO[C@@](C)(C#N)C1)c2=O ZINC000900740174 709737600 /nfs/dbraw/zinc/73/76/00/709737600.db2.gz JTTGOUOQGOXRGE-KRWDZBQOSA-N 0 2 311.341 1.591 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1onc(C(=O)OCC)c1C ZINC000903668342 711241065 /nfs/dbraw/zinc/24/10/65/711241065.db2.gz ODKVBUMWZMALOD-UHFFFAOYSA-N 0 2 302.352 1.868 20 30 DDEDLN O=[N+]([O-])c1cc(C=NNC(=S)NC[C@H]2CCCO2)ccc1O ZINC000916312258 713450928 /nfs/dbraw/zinc/45/09/28/713450928.db2.gz QCRCKIJHQOKTEB-SNVBAGLBSA-N 0 2 324.362 1.277 20 30 DDEDLN C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)C(F)(F)F ZINC000969165674 719985030 /nfs/dbraw/zinc/98/50/30/719985030.db2.gz ALJHWXOLWRKHFV-QEYWKRMJSA-N 0 2 321.274 1.248 20 30 DDEDLN C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(F)(F)F ZINC000969165674 719985035 /nfs/dbraw/zinc/98/50/35/719985035.db2.gz ALJHWXOLWRKHFV-QEYWKRMJSA-N 0 2 321.274 1.248 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)CNc1cncc(C#N)n1 ZINC001104237425 732738200 /nfs/dbraw/zinc/73/82/00/732738200.db2.gz XYXOMGDJBRFRCS-GMSGAONNSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)CNc1cncc(C#N)n1 ZINC001104237425 732738207 /nfs/dbraw/zinc/73/82/07/732738207.db2.gz XYXOMGDJBRFRCS-GMSGAONNSA-N 0 2 319.262 1.413 20 30 DDEDLN N#Cc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)c2cn[nH]n2)cc1 ZINC001024525076 735899690 /nfs/dbraw/zinc/89/96/90/735899690.db2.gz HHQJXGKJGRBTFT-HNNXBMFYSA-N 0 2 324.388 1.461 20 30 DDEDLN CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2ccncc2)c1 ZINC001028226853 739195939 /nfs/dbraw/zinc/19/59/39/739195939.db2.gz ORNAYFKVWOGXPU-QGZVFWFLSA-N 0 2 323.400 1.485 20 30 DDEDLN C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001107979591 751470137 /nfs/dbraw/zinc/47/01/37/751470137.db2.gz IQEPMTGMLFOTFH-GDBMZVCRSA-N 0 2 315.433 1.059 20 30 DDEDLN C=CCOCC(=O)N[C@@H](C)CCNC(=O)C(F)C(F)(F)F ZINC001076857669 743054513 /nfs/dbraw/zinc/05/45/13/743054513.db2.gz VWYMCVFKJLTGIL-WPRPVWTQSA-N 0 2 314.279 1.100 20 30 DDEDLN C=CCOCC(=O)N[C@@H](C)CCNC(=O)[C@H](F)C(F)(F)F ZINC001076857669 743054521 /nfs/dbraw/zinc/05/45/21/743054521.db2.gz VWYMCVFKJLTGIL-WPRPVWTQSA-N 0 2 314.279 1.100 20 30 DDEDLN O=C(CCC(=O)C1=CC=C[CH]1)N[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001184246299 744000754 /nfs/dbraw/zinc/00/07/54/744000754.db2.gz OKRMSJHBBUUNQY-KRWDZBQOSA-N 0 2 324.404 1.822 20 30 DDEDLN O=C(CCC(=O)C1=CC=C[CH]1)N[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC001184246299 744000757 /nfs/dbraw/zinc/00/07/57/744000757.db2.gz OKRMSJHBBUUNQY-KRWDZBQOSA-N 0 2 324.404 1.822 20 30 DDEDLN N#Cc1ccc(NC2(CNC(=O)C(F)C(F)(F)F)CC2)nc1 ZINC001110375334 744340783 /nfs/dbraw/zinc/34/07/83/744340783.db2.gz FHLAFQXUZQIYCV-JTQLQIEISA-N 0 2 316.258 1.914 20 30 DDEDLN N#Cc1ccc(NC2(CNC(=O)[C@H](F)C(F)(F)F)CC2)nc1 ZINC001110375334 744340785 /nfs/dbraw/zinc/34/07/85/744340785.db2.gz FHLAFQXUZQIYCV-JTQLQIEISA-N 0 2 316.258 1.914 20 30 DDEDLN C#Cc1cccnc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC001186891088 744460806 /nfs/dbraw/zinc/46/08/06/744460806.db2.gz KAXHAOKQHJMYTN-UHFFFAOYSA-N 0 2 313.338 1.358 20 30 DDEDLN N#Cc1ncc(Br)cc1NS(=O)(=O)CC1CC1 ZINC001188930636 744793730 /nfs/dbraw/zinc/79/37/30/744793730.db2.gz LVPUXLJMOMXXNP-UHFFFAOYSA-N 0 2 316.180 1.867 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)Cc2ccc(F)cc2F)CCC1=O ZINC001189803783 744985977 /nfs/dbraw/zinc/98/59/77/744985977.db2.gz HGCWCDLBVUGEOV-SNVBAGLBSA-N 0 2 314.313 1.209 20 30 DDEDLN N#Cc1nc(N)c(NC(=O)c2ccc(O)c(F)c2F)nc1C#N ZINC001192829078 745906638 /nfs/dbraw/zinc/90/66/38/745906638.db2.gz ZGIBAZHQNRLSIK-UHFFFAOYSA-N 0 2 316.227 1.038 20 30 DDEDLN C=C[C@@H]1C[C@@]1(NC(=O)c1ccc(O)c(F)c1F)C(=O)OCC ZINC001192842203 745913250 /nfs/dbraw/zinc/91/32/50/745913250.db2.gz FYLCJNSHDHXZHL-GLEZIHRCSA-N 0 2 311.284 1.908 20 30 DDEDLN COC(=O)c1cc(NS(=O)(=O)CC#N)c(F)cc1Cl ZINC001192982355 745941174 /nfs/dbraw/zinc/94/11/74/745941174.db2.gz OKVVAIJQTQDRFP-UHFFFAOYSA-N 0 2 306.702 1.531 20 30 DDEDLN CCN(CCNc1nccnc1C#N)C(=O)C(F)C(F)(F)F ZINC001106975913 748456352 /nfs/dbraw/zinc/45/63/52/748456352.db2.gz KVYAWYDJTDGLNP-SECBINFHSA-N 0 2 319.262 1.509 20 30 DDEDLN CCN(CCNc1nccnc1C#N)C(=O)[C@@H](F)C(F)(F)F ZINC001106975913 748456356 /nfs/dbraw/zinc/45/63/56/748456356.db2.gz KVYAWYDJTDGLNP-SECBINFHSA-N 0 2 319.262 1.509 20 30 DDEDLN C=CC[N@H+]1CC=C(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001000876399 762290143 /nfs/dbraw/zinc/29/01/43/762290143.db2.gz TYPSQEPBCUVVJG-UHFFFAOYSA-N 0 2 304.394 1.284 20 30 DDEDLN C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1CCC)CO2 ZINC001053822095 758850771 /nfs/dbraw/zinc/85/07/71/758850771.db2.gz GAXCKQFWVPPCQC-JKSUJKDBSA-N 0 2 321.465 1.396 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132218238 768690443 /nfs/dbraw/zinc/69/04/43/768690443.db2.gz NYBWFOWMALCVEF-NWDGAFQWSA-N 0 2 321.425 1.582 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132218238 768690447 /nfs/dbraw/zinc/69/04/47/768690447.db2.gz NYBWFOWMALCVEF-NWDGAFQWSA-N 0 2 321.425 1.582 20 30 DDEDLN N#Cc1cncc(N[C@H]2C[C@H](NC(=O)C(F)C(F)(F)F)C2)n1 ZINC001097106585 771625538 /nfs/dbraw/zinc/62/55/38/771625538.db2.gz UBTDKVRRBMAMPK-BRDIYROLSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1cncc(N[C@H]2C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2)n1 ZINC001097106585 771625543 /nfs/dbraw/zinc/62/55/43/771625543.db2.gz UBTDKVRRBMAMPK-BRDIYROLSA-N 0 2 317.246 1.308 20 30 DDEDLN Cc1cc(NCCNC(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001094183109 775547297 /nfs/dbraw/zinc/54/72/97/775547297.db2.gz YQTJZNUVAFNSBS-JTQLQIEISA-N 0 2 304.247 1.112 20 30 DDEDLN Cc1cc(NCCNC(=O)[C@H](F)C(F)(F)F)c(C#N)cn1 ZINC001094183109 775547305 /nfs/dbraw/zinc/54/73/05/775547305.db2.gz YQTJZNUVAFNSBS-JTQLQIEISA-N 0 2 304.247 1.112 20 30 DDEDLN C#CCCCCCC(=O)N(C)CCC1=NC(=O)C(C)C(=O)N1 ZINC001178893953 779212452 /nfs/dbraw/zinc/21/24/52/779212452.db2.gz PUQLNQATOFVTCJ-UHFFFAOYSA-N 0 2 305.378 1.781 20 30 DDEDLN C=C(C)[C@@H](CC(=O)N(C)CCC1=NC(=O)C(C)C(=O)N1)OCC ZINC001178894758 779213120 /nfs/dbraw/zinc/21/31/20/779213120.db2.gz YIMCAKWULSHZJR-GFCCVEGCSA-N 0 2 323.393 1.568 20 30 DDEDLN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(CO)nc2)c1 ZINC001190939183 851148162 /nfs/dbraw/zinc/14/81/62/851148162.db2.gz SINCPPJDABRUES-UHFFFAOYSA-N 0 2 323.761 1.900 20 30 DDEDLN CCCCCCCO[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001224617575 881473724 /nfs/dbraw/zinc/47/37/24/881473724.db2.gz QOTJFKUCPFMGOE-AWEZNQCLSA-N 0 2 323.455 1.562 20 30 DDEDLN Cn1c(=O)[nH]c(NCCCc2cccc(F)c2)c(C#N)c1=O ZINC001336503676 868980438 /nfs/dbraw/zinc/98/04/38/868980438.db2.gz QNAGRVHCBSPURC-UHFFFAOYSA-N 0 2 302.309 1.129 20 30 DDEDLN C#CC[C@H]1CCCN(c2nnc(-c3n[nH]c(Cl)n3)n2CC)C1 ZINC001342592950 872282457 /nfs/dbraw/zinc/28/24/57/872282457.db2.gz WPHQUEGNYCXJJV-JTQLQIEISA-N 0 2 319.800 1.976 20 30 DDEDLN N#CC(C(=O)c1cn(Cc2ccccn2)nn1)c1cccc(F)n1 ZINC001344006559 872832930 /nfs/dbraw/zinc/83/29/30/872832930.db2.gz VQEXTVHEJMKIEC-GFCCVEGCSA-N 0 2 322.303 1.746 20 30 DDEDLN N#C[C@@H](C(=O)c1cn(Cc2ccccn2)nn1)c1cccc(F)n1 ZINC001344006559 872832941 /nfs/dbraw/zinc/83/29/41/872832941.db2.gz VQEXTVHEJMKIEC-GFCCVEGCSA-N 0 2 322.303 1.746 20 30 DDEDLN C=CCO[C@H](C)C(=O)NCCCNC(=O)C(F)C(F)(F)F ZINC001350153117 875553927 /nfs/dbraw/zinc/55/39/27/875553927.db2.gz ZYMZJJCRKISOLA-BDAKNGLRSA-N 0 2 314.279 1.100 20 30 DDEDLN C=CCO[C@H](C)C(=O)NCCCNC(=O)[C@H](F)C(F)(F)F ZINC001350153117 875553936 /nfs/dbraw/zinc/55/39/36/875553936.db2.gz ZYMZJJCRKISOLA-BDAKNGLRSA-N 0 2 314.279 1.100 20 30 DDEDLN C#CCCCCC(=O)NCC1(NC(=O)C(F)C(F)(F)F)CC1 ZINC001358657333 880709135 /nfs/dbraw/zinc/70/91/35/880709135.db2.gz GEZMSCMAGMZQDB-LLVKDONJSA-N 0 2 322.302 1.845 20 30 DDEDLN C#CCCCCC(=O)NCC1(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001358657333 880709143 /nfs/dbraw/zinc/70/91/43/880709143.db2.gz GEZMSCMAGMZQDB-LLVKDONJSA-N 0 2 322.302 1.845 20 30 DDEDLN C=CCOC[C@@H](CS(=O)(=O)[O-])OCc1cc(C)[nH+]c(C)c1 ZINC001223422642 880955767 /nfs/dbraw/zinc/95/57/67/880955767.db2.gz YKXZTZREOTXHGI-AWEZNQCLSA-N 0 2 315.391 1.674 20 30 DDEDLN COc1cc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)cnc1OC ZINC001363480327 886452049 /nfs/dbraw/zinc/45/20/49/886452049.db2.gz PIFUNCYOZQKLGD-UHFFFAOYSA-N 0 2 314.301 1.632 20 30 DDEDLN C[C@@H](NC(=O)c1ncc(C#N)cc1Cl)c1nn(C)cc1O ZINC001364393164 888529075 /nfs/dbraw/zinc/52/90/75/888529075.db2.gz CJMPWULIQOYNDE-SSDOTTSWSA-N 0 2 305.725 1.537 20 30 DDEDLN Cc1c(Cl)cccc1NC(=O)Cn1c(=O)[nH]cc(C#N)c1=O ZINC001364615627 889040891 /nfs/dbraw/zinc/04/08/91/889040891.db2.gz KOEGWVKJELUMHI-UHFFFAOYSA-N 0 2 318.720 1.009 20 30 DDEDLN CC[C@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@H](C)CO1 ZINC001365313066 890567411 /nfs/dbraw/zinc/56/74/11/890567411.db2.gz GAQGHTZGBFESNH-MFKMUULPSA-N 0 2 301.350 1.306 20 30 DDEDLN CC[C@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@H](C)CO1 ZINC001365313066 890567421 /nfs/dbraw/zinc/56/74/21/890567421.db2.gz GAQGHTZGBFESNH-MFKMUULPSA-N 0 2 301.350 1.306 20 30 DDEDLN N#C[C@@H]1CN(S(=O)(=O)c2cccc3cccnc32)CCC1=O ZINC001250988840 894547966 /nfs/dbraw/zinc/54/79/66/894547966.db2.gz PYGXJWVSABTYMO-GFCCVEGCSA-N 0 2 315.354 1.338 20 30 DDEDLN Cn1ncc2cc(NS(=O)(=O)c3ccccc3C#N)cnc21 ZINC001258201818 898103469 /nfs/dbraw/zinc/10/34/69/898103469.db2.gz LXUKBDIZSOBUMC-UHFFFAOYSA-N 0 2 313.342 1.641 20 30 DDEDLN Cn1nc(C2CC2)cc1NS(=O)(=O)c1cccc(C#N)c1 ZINC001259117380 898476752 /nfs/dbraw/zinc/47/67/52/898476752.db2.gz IZZMLMLGKFTZIO-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)C(F)C(F)(F)F)C2)C1 ZINC001293618544 914588269 /nfs/dbraw/zinc/58/82/69/914588269.db2.gz ZEEKYZVJLYBVBJ-NXEZZACHSA-N 0 2 322.302 1.960 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001293618544 914588275 /nfs/dbraw/zinc/58/82/75/914588275.db2.gz ZEEKYZVJLYBVBJ-NXEZZACHSA-N 0 2 322.302 1.960 20 30 DDEDLN C=C(C)CCC(=O)NC[C@H]1CCN1C(=O)C(F)C(F)(F)F ZINC001285867815 911337291 /nfs/dbraw/zinc/33/72/91/911337291.db2.gz ZKDSPPSCWDAGDI-KOLCDFICSA-N 0 2 310.291 1.960 20 30 DDEDLN C=C(C)CCC(=O)NC[C@H]1CCN1C(=O)[C@H](F)C(F)(F)F ZINC001285867815 911337298 /nfs/dbraw/zinc/33/72/98/911337298.db2.gz ZKDSPPSCWDAGDI-KOLCDFICSA-N 0 2 310.291 1.960 20 30 DDEDLN C#CCCCC(=O)N1CC(N(C)C(=O)C(F)C(F)(F)F)C1 ZINC001286018359 911577412 /nfs/dbraw/zinc/57/74/12/911577412.db2.gz ZITPETYMPXDLPL-LLVKDONJSA-N 0 2 308.275 1.360 20 30 DDEDLN C#CCCCC(=O)N1CC(N(C)C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001286018359 911577427 /nfs/dbraw/zinc/57/74/27/911577427.db2.gz ZITPETYMPXDLPL-LLVKDONJSA-N 0 2 308.275 1.360 20 30 DDEDLN C#CCCCC(=O)N[C@H]1C[C@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001295113546 915582143 /nfs/dbraw/zinc/58/21/43/915582143.db2.gz OJJVUJWDSFGDJU-QXEWZRGKSA-N 0 2 308.275 1.454 20 30 DDEDLN C#CCCCC(=O)N[C@H]1C[C@H](NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001295113546 915582158 /nfs/dbraw/zinc/58/21/58/915582158.db2.gz OJJVUJWDSFGDJU-QXEWZRGKSA-N 0 2 308.275 1.454 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(-c2nc(=O)o[nH]2)c1 ZINC000615850506 362464930 /nfs/dbraw/zinc/46/49/30/362464930.db2.gz ZYDJOOCMSXGGKP-NEPJUHHUSA-N 0 2 301.302 1.103 20 30 DDEDLN CC[C@@H](C)Oc1cc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)ccn1 ZINC000181880603 186214826 /nfs/dbraw/zinc/21/48/26/186214826.db2.gz DOVNYADZYLALEN-SECBINFHSA-N 0 2 310.317 1.978 20 30 DDEDLN C=CCCO[C@H](C)C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000069337344 353157719 /nfs/dbraw/zinc/15/77/19/353157719.db2.gz UGIAINWLMUSZDE-SNVBAGLBSA-N 0 2 321.402 1.924 20 30 DDEDLN N#Cc1cc(NS(=O)(=O)c2cnn3c2OCCC3)ccc1F ZINC000590598193 355126088 /nfs/dbraw/zinc/12/60/88/355126088.db2.gz MGYLCGFDGVTFOK-UHFFFAOYSA-N 0 2 322.321 1.477 20 30 DDEDLN CCC[N@H+](CC(=O)[O-])CC(=O)Nc1sc(C)c(C)c1C#N ZINC000038021368 283112861 /nfs/dbraw/zinc/11/28/61/283112861.db2.gz JRYPAHMYEGIKTO-UHFFFAOYSA-N 0 2 309.391 1.972 20 30 DDEDLN CCC[N@@H+](CC(=O)[O-])CC(=O)Nc1sc(C)c(C)c1C#N ZINC000038021368 283112862 /nfs/dbraw/zinc/11/28/62/283112862.db2.gz JRYPAHMYEGIKTO-UHFFFAOYSA-N 0 2 309.391 1.972 20 30 DDEDLN COC(=O)[C@H]1C[C@H](NC(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000598519794 357617090 /nfs/dbraw/zinc/61/70/90/357617090.db2.gz BKPGLPALWFAXGG-XWEPSHTISA-N 0 2 321.358 1.062 20 30 DDEDLN COc1cc(NS(=O)(=O)c2ccc(C#N)c(C)c2)ncn1 ZINC000618606493 363689714 /nfs/dbraw/zinc/68/97/14/363689714.db2.gz OGOZFNDQVWNVEQ-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN COC[C@@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C(C)C ZINC000610354133 360420553 /nfs/dbraw/zinc/42/05/53/360420553.db2.gz YLPPDPGJUIBNQO-LLVKDONJSA-N 0 2 309.391 1.782 20 30 DDEDLN Cc1noc2nc(C)cc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)c12 ZINC000026268482 182435177 /nfs/dbraw/zinc/43/51/77/182435177.db2.gz CWIYRXNABKQSFP-UHFFFAOYSA-N 0 2 307.273 1.558 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CCC[C@@H]2O)cc1C#N ZINC000330719572 533079021 /nfs/dbraw/zinc/07/90/21/533079021.db2.gz DWWNJZMQNRGSNC-KWQFWETISA-N 0 2 307.375 1.272 20 30 DDEDLN C[C@H](OCCc1ccccc1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000294970317 224348476 /nfs/dbraw/zinc/34/84/76/224348476.db2.gz XJCJDPKROJLENO-NSHDSACASA-N 0 2 309.329 1.739 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1C#N ZINC000074070696 406901733 /nfs/dbraw/zinc/90/17/33/406901733.db2.gz DVJYQTORUPBIPH-IUCAKERBSA-N 0 2 307.375 1.630 20 30 DDEDLN N#Cc1nc(NC(=O)COc2cccc([N+](=O)[O-])c2)[nH]c1C#N ZINC000047475601 407075103 /nfs/dbraw/zinc/07/51/03/407075103.db2.gz UHMMEPUMACZQTK-UHFFFAOYSA-N 0 2 312.245 1.079 20 30 DDEDLN N#Cc1ccccc1S(=O)(=O)Nc1ccc(C(N)=O)c(F)c1 ZINC000102632627 407324617 /nfs/dbraw/zinc/32/46/17/407324617.db2.gz FETOQFDIWUJYKQ-UHFFFAOYSA-N 0 2 319.317 1.597 20 30 DDEDLN N#Cc1nc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)[n-]c1C#N ZINC000117970617 407875462 /nfs/dbraw/zinc/87/54/62/407875462.db2.gz JPIAYYRTBJEHNM-UHFFFAOYSA-N 0 2 303.285 1.591 20 30 DDEDLN CN(C)c1ncc(NS(=O)(=O)c2ccc(C#N)cc2F)cn1 ZINC000134022747 407881222 /nfs/dbraw/zinc/88/12/22/407881222.db2.gz HUTAPTNMFNNVBQ-UHFFFAOYSA-N 0 2 321.337 1.354 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)cn1 ZINC000160478914 408486406 /nfs/dbraw/zinc/48/64/06/408486406.db2.gz GGBPBWZCYBROER-UHFFFAOYSA-N 0 2 317.302 1.543 20 30 DDEDLN C=CCNC(=O)c1ccccc1NS(=O)(=O)N1CCCC1 ZINC000265746444 408767915 /nfs/dbraw/zinc/76/79/15/408767915.db2.gz HSSAFILYKDEOJM-UHFFFAOYSA-N 0 2 309.391 1.355 20 30 DDEDLN CCOc1ccc(C#N)cc1NS(=O)(=O)c1cnn(C)c1C ZINC000291845992 408932101 /nfs/dbraw/zinc/93/21/01/408932101.db2.gz FGXSKFIXTFVJNS-UHFFFAOYSA-N 0 2 320.374 1.800 20 30 DDEDLN CO[C@@]1(C)CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000289461562 409276394 /nfs/dbraw/zinc/27/63/94/409276394.db2.gz QDIAIADEDCJYKE-HNNXBMFYSA-N 0 2 323.418 1.228 20 30 DDEDLN CO[C@@H](CS(=O)(=O)Nc1c(C#N)cnn1C)c1ccccc1 ZINC000296046112 409410673 /nfs/dbraw/zinc/41/06/73/409410673.db2.gz SYZMFCQLJDBBEB-ZDUSSCGKSA-N 0 2 320.374 1.421 20 30 DDEDLN COc1cc(Cl)c(C(=O)N=c2[nH][nH]c(C)c2C#N)cc1OC ZINC000357249006 409951428 /nfs/dbraw/zinc/95/14/28/409951428.db2.gz WPZVMZOWUHCOGN-UHFFFAOYSA-N 0 2 320.736 2.513 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2c(C)onc2-c2cccnc2)c1C#N ZINC000357241012 409949688 /nfs/dbraw/zinc/94/96/88/409949688.db2.gz JQGAQZDHWPXTDE-UHFFFAOYSA-N 0 2 308.301 2.201 20 30 DDEDLN COC(=O)c1ccc(C(=O)N=c2[nH][nH]c(C)c2C#N)c(F)c1 ZINC000357239725 409950185 /nfs/dbraw/zinc/95/01/85/409950185.db2.gz HRQUMOPPQQHMMG-UHFFFAOYSA-N 0 2 302.265 1.768 20 30 DDEDLN Cc1noc(C(C)(C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000328860726 409995566 /nfs/dbraw/zinc/99/55/66/409995566.db2.gz AMSMZMUZHACFQQ-UHFFFAOYSA-N 0 2 321.425 1.786 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)c2cnn(C)c2)n1 ZINC000354656021 409997218 /nfs/dbraw/zinc/99/72/18/409997218.db2.gz NSYGIWRMOXPPQI-SECBINFHSA-N 0 2 304.331 1.543 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2cnn(C)c2)n1 ZINC000354656021 409997223 /nfs/dbraw/zinc/99/72/23/409997223.db2.gz NSYGIWRMOXPPQI-SECBINFHSA-N 0 2 304.331 1.543 20 30 DDEDLN CS(=O)(=O)Nc1nnc(NC(=O)[C@H]2CCCSC2)s1 ZINC000329520027 410341478 /nfs/dbraw/zinc/34/14/78/410341478.db2.gz OEUNHSCDFNMRRQ-LURJTMIESA-N 0 2 322.437 1.641 20 30 DDEDLN CNC(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)nc1 ZINC000358807811 410533050 /nfs/dbraw/zinc/53/30/50/410533050.db2.gz YNEUKFPKWIKEKG-UHFFFAOYSA-N 0 2 316.342 1.114 20 30 DDEDLN C=CCN1CC[C@H](N(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000355671791 410632527 /nfs/dbraw/zinc/63/25/27/410632527.db2.gz WQLKXZODQHXLJW-ZDUSSCGKSA-N 0 2 319.317 1.159 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H](O)CC(C)(C)C)cc1C#N ZINC000343887866 410782196 /nfs/dbraw/zinc/78/21/96/410782196.db2.gz SOHHDKVKPNQWEX-SNVBAGLBSA-N 0 2 323.418 1.908 20 30 DDEDLN COC(=O)CCCN(C)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000353556962 411062504 /nfs/dbraw/zinc/06/25/04/411062504.db2.gz AKXFJVMRFHEODK-UHFFFAOYSA-N 0 2 323.374 1.406 20 30 DDEDLN COC(=O)C1(CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)CC1 ZINC000487201305 421009860 /nfs/dbraw/zinc/00/98/60/421009860.db2.gz QDXHWIUZXAORIV-UHFFFAOYSA-N 0 2 321.358 1.064 20 30 DDEDLN C[C@]1(Br)C[C@@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000528925496 421524954 /nfs/dbraw/zinc/52/49/54/421524954.db2.gz XEOIOJRYDWVFSO-CWSCBRNRSA-N 0 2 313.195 1.928 20 30 DDEDLN C[C@]1(Br)C[C@@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000528925496 421524958 /nfs/dbraw/zinc/52/49/58/421524958.db2.gz XEOIOJRYDWVFSO-CWSCBRNRSA-N 0 2 313.195 1.928 20 30 DDEDLN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cn[nH]c1-c1cnn(C)c1 ZINC000567181351 421610402 /nfs/dbraw/zinc/61/04/02/421610402.db2.gz RGTZPQVILNCXEW-IAQYHMDHSA-N 0 2 315.377 1.521 20 30 DDEDLN Cc1csc([C@H](C#N)C(=O)c2coc(S(C)(=O)=O)c2)n1 ZINC000651259487 423455685 /nfs/dbraw/zinc/45/56/85/423455685.db2.gz SARWWSKQGBRAKM-SECBINFHSA-N 0 2 310.356 1.938 20 30 DDEDLN Cc1csc(C(C#N)C(=O)c2coc(S(C)(=O)=O)c2)n1 ZINC000651259487 423455691 /nfs/dbraw/zinc/45/56/91/423455691.db2.gz SARWWSKQGBRAKM-SECBINFHSA-N 0 2 310.356 1.938 20 30 DDEDLN N#Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)OCO3)c1 ZINC000352855806 268299388 /nfs/dbraw/zinc/29/93/88/268299388.db2.gz APBXJYZTGUQCQQ-UHFFFAOYSA-N 0 2 303.299 1.483 20 30 DDEDLN Cc1cc(C)cc(N2CCC(=C([O-])[NH+]=C3C[C@@H](C)ON3)C2=O)c1 ZINC000378313109 301226089 /nfs/dbraw/zinc/22/60/89/301226089.db2.gz YJGWQRKLDKNZNN-TZMCWYRMSA-N 0 2 315.373 1.895 20 30 DDEDLN N#C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)CCN1C1CC1 ZINC000374784655 303169144 /nfs/dbraw/zinc/16/91/44/303169144.db2.gz TVFMCRIIRKJVAB-LBPRGKRZSA-N 0 2 316.317 1.113 20 30 DDEDLN N#C[C@H]1CSCCN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000271731093 303171282 /nfs/dbraw/zinc/17/12/82/303171282.db2.gz MYZSHABDRGFQAW-LBPRGKRZSA-N 0 2 314.370 1.659 20 30 DDEDLN CCC[C@H](C)[C@H](CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000576233943 308299797 /nfs/dbraw/zinc/29/97/97/308299797.db2.gz OMNDQDOWNOUTLA-CABZTGNLSA-N 0 2 323.418 1.908 20 30 DDEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2nncs2)c1 ZINC000160554159 332822261 /nfs/dbraw/zinc/82/22/61/332822261.db2.gz FKZBZHYBLGGHQO-UHFFFAOYSA-N 0 2 324.387 1.255 20 30 DDEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cccnn2)c1 ZINC000345677408 526659464 /nfs/dbraw/zinc/65/94/64/526659464.db2.gz QDYOSWCKTJPASZ-UHFFFAOYSA-N 0 2 318.358 1.193 20 30 DDEDLN C#CCN(CC#CC)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000490934078 526863556 /nfs/dbraw/zinc/86/35/56/526863556.db2.gz HIUUKAXNGZKDGI-UHFFFAOYSA-N 0 2 311.316 1.816 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](NC(=O)[O-])C3)C2=O)cc1 ZINC000740316476 604429230 /nfs/dbraw/zinc/42/92/30/604429230.db2.gz YMPUYHFUYJWOLW-TZMCWYRMSA-N 0 2 314.345 1.005 20 30 DDEDLN N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](NC(=O)[O-])C3)C2=O)cc1 ZINC000740316476 604429232 /nfs/dbraw/zinc/42/92/32/604429232.db2.gz YMPUYHFUYJWOLW-TZMCWYRMSA-N 0 2 314.345 1.005 20 30 DDEDLN CCc1noc(CC)c1CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000123127700 696728827 /nfs/dbraw/zinc/72/88/27/696728827.db2.gz VBRFKPNNTUGXAA-NSHDSACASA-N 0 2 314.345 1.667 20 30 DDEDLN C#C[C@@H](C)OC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000174452389 697389054 /nfs/dbraw/zinc/38/90/54/697389054.db2.gz LKEBIRGHBAQPFZ-SECBINFHSA-N 0 2 302.355 1.884 20 30 DDEDLN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000194085700 697690904 /nfs/dbraw/zinc/69/09/04/697690904.db2.gz VOCZQNDLKXYJIO-NSHDSACASA-N 0 2 324.300 1.554 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)Cc2ccnn2C)n1 ZINC000774066070 697839528 /nfs/dbraw/zinc/83/95/28/697839528.db2.gz INNGIGXTWZOCKL-SNVBAGLBSA-N 0 2 318.358 1.472 20 30 DDEDLN Cn1ncc2c1ncnc2N=NCc1c(F)ccc(O)c1F ZINC000794493296 699812556 /nfs/dbraw/zinc/81/25/56/699812556.db2.gz DDHOWWMQDQCUGE-UHFFFAOYSA-N 0 2 304.260 1.793 20 30 DDEDLN C#CCOc1ccc(NC(=O)CC2SC(=N)NC2=O)cc1 ZINC000742649806 699884895 /nfs/dbraw/zinc/88/48/95/699884895.db2.gz IKIGDCYJZCZTQO-NSHDSACASA-N 0 2 303.343 1.194 20 30 DDEDLN COc1ccnc(N=NC(C)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000758097298 700683930 /nfs/dbraw/zinc/68/39/30/700683930.db2.gz AXNKWUPEAGZCFB-UHFFFAOYSA-N 0 2 303.278 1.935 20 30 DDEDLN N#Cc1cc(F)cc(C2(C(=O)NOC3CCOCC3)CC2)c1 ZINC000803118933 701083335 /nfs/dbraw/zinc/08/33/35/701083335.db2.gz JKHMNQLGTAUBIX-UHFFFAOYSA-N 0 2 304.321 1.956 20 30 DDEDLN CN(C)C(=O)CN(CC(F)(F)F)C(=O)[C@H](F)C(F)(F)F ZINC000815066863 701792185 /nfs/dbraw/zinc/79/21/85/701792185.db2.gz HNBFKIMQRVACST-LURJTMIESA-N 0 2 312.185 1.366 20 30 DDEDLN CN(C)C(=O)CN(CC(F)(F)F)C(=O)C(F)C(F)(F)F ZINC000815066863 701792180 /nfs/dbraw/zinc/79/21/80/701792180.db2.gz HNBFKIMQRVACST-LURJTMIESA-N 0 2 312.185 1.366 20 30 DDEDLN C#CCCCS(=O)(=O)Nc1cnc(C(=O)OCC)s1 ZINC000840945170 702288243 /nfs/dbraw/zinc/28/82/43/702288243.db2.gz BYUFSKUQQSKOMH-UHFFFAOYSA-N 0 2 302.377 1.475 20 30 DDEDLN CO[C@H](C(=O)C(C#N)=C([O-])c1[nH+]ccn1C)C1CCCCC1 ZINC000850899792 703763040 /nfs/dbraw/zinc/76/30/40/703763040.db2.gz WNMNTFHYRVYARW-DOMZBBRYSA-N 0 2 303.362 1.907 20 30 DDEDLN CC#CCN(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000819245199 704094158 /nfs/dbraw/zinc/09/41/58/704094158.db2.gz CFMXUPWXIHKXMU-UHFFFAOYSA-N 0 2 315.398 1.800 20 30 DDEDLN COc1cc(C(=O)[O-])ccc1N=NCc1c[nH+]c2n1CCC2 ZINC000853325225 704234119 /nfs/dbraw/zinc/23/41/19/704234119.db2.gz JFWRHWJKTBVCMC-UHFFFAOYSA-N 0 2 300.318 1.982 20 30 DDEDLN Cc1c(NS(=O)(=O)c2ccc(CCC#N)cc2)cnn1C ZINC000901639692 710105043 /nfs/dbraw/zinc/10/50/43/710105043.db2.gz MJGSHGRRBVUCQC-UHFFFAOYSA-N 0 2 304.375 1.986 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000892863890 710515040 /nfs/dbraw/zinc/51/50/40/710515040.db2.gz QJOVXWYKCHJXPL-NWDGAFQWSA-N 0 2 301.346 1.661 20 30 DDEDLN Cc1nc(Cn2c(=O)[nH]cc(C#N)c2=O)sc1C(C)(C)C ZINC000917859075 713516809 /nfs/dbraw/zinc/51/68/09/713516809.db2.gz NFGQOQJOXKRRQP-UHFFFAOYSA-N 0 2 304.375 1.519 20 30 DDEDLN CCOC(=O)c1csc(C(C#N)C(=O)C2CCOCC2)n1 ZINC000920326530 713662445 /nfs/dbraw/zinc/66/24/45/713662445.db2.gz AOBWHSFPMTYEEK-SNVBAGLBSA-N 0 2 308.359 1.923 20 30 DDEDLN CCOC(=O)c1csc([C@H](C#N)C(=O)C2CCOCC2)n1 ZINC000920326530 713662448 /nfs/dbraw/zinc/66/24/48/713662448.db2.gz AOBWHSFPMTYEEK-SNVBAGLBSA-N 0 2 308.359 1.923 20 30 DDEDLN C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)C[C@@H]1C ZINC000947919917 719307464 /nfs/dbraw/zinc/30/74/64/719307464.db2.gz AQJODNALASNMAU-LSDHHAIUSA-N 0 2 323.400 1.483 20 30 DDEDLN C#CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000968540003 719654901 /nfs/dbraw/zinc/65/49/01/719654901.db2.gz SAWRYAWKRHWVDP-PWSUYJOCSA-N 0 2 314.345 1.002 20 30 DDEDLN C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC000968540003 719654903 /nfs/dbraw/zinc/65/49/03/719654903.db2.gz SAWRYAWKRHWVDP-PWSUYJOCSA-N 0 2 314.345 1.002 20 30 DDEDLN CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001023451809 735247325 /nfs/dbraw/zinc/24/73/25/735247325.db2.gz MPFCMULFTXCYNH-CVEARBPZSA-N 0 2 314.433 1.297 20 30 DDEDLN C[C@H](CNc1nccnc1C#N)N(C)C(=O)C(F)C(F)(F)F ZINC001104848175 737278481 /nfs/dbraw/zinc/27/84/81/737278481.db2.gz XBRWGBVREOTAKH-APPZFPTMSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CNc1nccnc1C#N)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001104848175 737278483 /nfs/dbraw/zinc/27/84/83/737278483.db2.gz XBRWGBVREOTAKH-APPZFPTMSA-N 0 2 319.262 1.507 20 30 DDEDLN C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001027979624 738901392 /nfs/dbraw/zinc/90/13/92/738901392.db2.gz FTIVYLYEXDYZOD-GJZGRUSLSA-N 0 2 302.422 1.602 20 30 DDEDLN Cc1[nH]c2ccc(C#N)cc2c1CC(=O)NCc1n[nH]c(=O)[nH]1 ZINC001183891193 743923912 /nfs/dbraw/zinc/92/39/12/743923912.db2.gz JHOQGMOFRBXLIX-UHFFFAOYSA-N 0 2 310.317 1.031 20 30 DDEDLN N#Cc1cnn(-c2ccccn2)c1NS(=O)(=O)CCCF ZINC001189868721 745007399 /nfs/dbraw/zinc/00/73/99/745007399.db2.gz YSMKYPNEVQSFIT-UHFFFAOYSA-N 0 2 309.326 1.240 20 30 DDEDLN N#Cc1ccc(F)c(S(=O)(=O)Nc2cccc(CO)c2)c1 ZINC001190647665 745284113 /nfs/dbraw/zinc/28/41/13/745284113.db2.gz FQTSWXWLYREAEI-UHFFFAOYSA-N 0 2 306.318 1.990 20 30 DDEDLN C[C@@H](C#N)S(=O)(=O)Nc1cccnc1C#C[Si](C)(C)C ZINC001193105702 745979750 /nfs/dbraw/zinc/97/97/50/745979750.db2.gz ZXYCKSKRDAFSTF-NSHDSACASA-N 0 2 307.451 1.964 20 30 DDEDLN COC(=O)n1ncc(C#N)c1NC(=O)c1ccc(F)c(O)c1F ZINC001193792909 746194425 /nfs/dbraw/zinc/19/44/25/746194425.db2.gz HDUAWXJAHHTYIZ-UHFFFAOYSA-N 0 2 322.227 1.605 20 30 DDEDLN CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(CCC)[nH]n2)C1 ZINC001033912689 750090057 /nfs/dbraw/zinc/09/00/57/750090057.db2.gz KSBRQRQBFHAVCT-OAHLLOKOSA-N 0 2 302.422 1.922 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1 ZINC001110891261 750176861 /nfs/dbraw/zinc/17/68/61/750176861.db2.gz XSOJJXNDFBMKOW-UTUOFQBUSA-N 0 2 319.409 1.334 20 30 DDEDLN C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(=O)[nH]1 ZINC001111072563 750349086 /nfs/dbraw/zinc/34/90/86/750349086.db2.gz NETYNSBYQMJFMU-UTUOFQBUSA-N 0 2 319.409 1.334 20 30 DDEDLN C=C[C@](C)(CC)C(=O)N1C[C@H]2CCN(Cc3n[nH]c(=O)[nH]3)C[C@H]21 ZINC001084634941 757724333 /nfs/dbraw/zinc/72/43/33/757724333.db2.gz KUAHHZWEEGWLSL-XHBSWPGZSA-N 0 2 319.409 1.145 20 30 DDEDLN C[C@@H](CNc1ccncc1C#N)NC(=O)C(F)C(F)(F)F ZINC001108739676 762897220 /nfs/dbraw/zinc/89/72/20/762897220.db2.gz NFDLEMBRKHGRQD-XVKPBYJWSA-N 0 2 304.247 1.192 20 30 DDEDLN C[C@@H](CNc1ccncc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001108739676 762897225 /nfs/dbraw/zinc/89/72/25/762897225.db2.gz NFDLEMBRKHGRQD-XVKPBYJWSA-N 0 2 304.247 1.192 20 30 DDEDLN C[C@@H](CNC(=O)C(F)C(F)(F)F)N(C)c1cncc(C#N)n1 ZINC001113935072 766425327 /nfs/dbraw/zinc/42/53/27/766425327.db2.gz VJAPHDLZZBMTCI-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@@H](CNC(=O)[C@H](F)C(F)(F)F)N(C)c1cncc(C#N)n1 ZINC001113935072 766425341 /nfs/dbraw/zinc/42/53/41/766425341.db2.gz VJAPHDLZZBMTCI-XVKPBYJWSA-N 0 2 319.262 1.190 20 30 DDEDLN N#CCN[C@@H]1CN(C(=O)C(F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001099254377 774919665 /nfs/dbraw/zinc/91/96/65/774919665.db2.gz KUMBKDYQVHMCLQ-FSDSQADBSA-N 0 2 321.196 1.389 20 30 DDEDLN N#CCN[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)C[C@H]1C(F)(F)F ZINC001099254377 774919672 /nfs/dbraw/zinc/91/96/72/774919672.db2.gz KUMBKDYQVHMCLQ-FSDSQADBSA-N 0 2 321.196 1.389 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)nc1 ZINC001095758313 855323141 /nfs/dbraw/zinc/32/31/41/855323141.db2.gz CBDIHZAQNVKKBG-LLVKDONJSA-N 0 2 318.274 1.796 20 30 DDEDLN CN(CCCNC(=O)[C@@H](F)C(F)(F)F)c1ccc(C#N)nc1 ZINC001095758313 855323148 /nfs/dbraw/zinc/32/31/48/855323148.db2.gz CBDIHZAQNVKKBG-LLVKDONJSA-N 0 2 318.274 1.796 20 30 DDEDLN C=C[C@H]1CCCCN1C(=O)c1ccc(-n2[nH]c(=O)[nH]c2=O)cc1 ZINC001139594182 860437623 /nfs/dbraw/zinc/43/76/23/860437623.db2.gz KNSHKFRXDMATGV-LBPRGKRZSA-N 0 2 314.345 1.447 20 30 DDEDLN CCOC(=O)[C@H]1CC[C@@H](Oc2[nH]c(=O)cc(C)c2C#N)CO1 ZINC001226222047 882287776 /nfs/dbraw/zinc/28/77/76/882287776.db2.gz TYUSOQMDWBIKJY-ZYHUDNBSSA-N 0 2 306.318 1.457 20 30 DDEDLN Cn1c(=O)[nH]c(NCCCc2ccccc2F)c(C#N)c1=O ZINC001337960087 869717962 /nfs/dbraw/zinc/71/79/62/869717962.db2.gz CYGZWCQCQSKKGW-UHFFFAOYSA-N 0 2 302.309 1.129 20 30 DDEDLN N#Cc1c(F)cc(NS(=O)(=O)c2cncc(N)c2)cc1F ZINC001203674892 870705720 /nfs/dbraw/zinc/70/57/20/870705720.db2.gz WETRABUVVNIUOS-UHFFFAOYSA-N 0 2 310.285 1.614 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1cccc([N+](=O)[O-])c1 ZINC001306935612 871383026 /nfs/dbraw/zinc/38/30/26/871383026.db2.gz FJQHCNTUKPMOTB-MRVPVSSYSA-N 0 2 315.289 1.027 20 30 DDEDLN C=CCn1cnnc1SCC(=O)NOCc1ccccc1 ZINC001317724624 871444082 /nfs/dbraw/zinc/44/40/82/871444082.db2.gz XWKJBPGTRNNHHA-UHFFFAOYSA-N 0 2 304.375 1.804 20 30 DDEDLN Cc1ccc(NS(=O)(=O)c2ccc(N)c(N)c2)c(C#N)c1 ZINC001210569396 875440128 /nfs/dbraw/zinc/44/01/28/875440128.db2.gz JAMGTYKTXFGSBL-UHFFFAOYSA-N 0 2 302.359 1.832 20 30 DDEDLN CC(C)(C)C#CC(=O)NC/C=C/CNC(=O)C(F)C(F)(F)F ZINC001357807028 880208393 /nfs/dbraw/zinc/20/83/93/880208393.db2.gz AMUNUNWRPCFJMO-SGUJLRQBSA-N 0 2 322.302 1.725 20 30 DDEDLN CC(C)(C)C#CC(=O)NC/C=C/CNC(=O)[C@@H](F)C(F)(F)F ZINC001357807028 880208406 /nfs/dbraw/zinc/20/84/06/880208406.db2.gz AMUNUNWRPCFJMO-SGUJLRQBSA-N 0 2 322.302 1.725 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC(N(C)C(=O)C(F)C(F)(F)F)C2)C1 ZINC001358735570 880831459 /nfs/dbraw/zinc/83/14/59/880831459.db2.gz UVVUTQGXSRIIBL-SNVBAGLBSA-N 0 2 322.302 1.912 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC(N(C)C(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001358735570 880831475 /nfs/dbraw/zinc/83/14/75/880831475.db2.gz UVVUTQGXSRIIBL-SNVBAGLBSA-N 0 2 322.302 1.912 20 30 DDEDLN N#Cc1sccc1C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC001363016747 885235874 /nfs/dbraw/zinc/23/58/74/885235874.db2.gz CMOQEKPBYXGWHH-MRVPVSSYSA-N 0 2 304.331 1.728 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC001363185138 885662933 /nfs/dbraw/zinc/66/29/33/885662933.db2.gz PIMXTPVPRLHQGU-OAHLLOKOSA-N 0 2 322.368 1.884 20 30 DDEDLN Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC001363185138 885662951 /nfs/dbraw/zinc/66/29/51/885662951.db2.gz PIMXTPVPRLHQGU-OAHLLOKOSA-N 0 2 322.368 1.884 20 30 DDEDLN C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(F)cc1F ZINC001364189123 888111920 /nfs/dbraw/zinc/11/19/20/888111920.db2.gz FSCVJBNVFKRCIQ-SSDOTTSWSA-N 0 2 306.272 1.397 20 30 DDEDLN CCC(C#N)(CC)C(=O)N(C)CCc1nc(O)c(C)c(=O)[nH]1 ZINC001364248456 888215681 /nfs/dbraw/zinc/21/56/81/888215681.db2.gz WIXZOGBOYMCCDX-UHFFFAOYSA-N 0 2 306.366 1.527 20 30 DDEDLN Cc1cc(C(=O)Cn2c(=O)[nH]cc(C#N)c2=O)cc(C)c1F ZINC001364617694 889045368 /nfs/dbraw/zinc/04/53/68/889045368.db2.gz VWJUAIPCWJWKTK-UHFFFAOYSA-N 0 2 301.277 1.047 20 30 DDEDLN CSc1cc(NS(=O)(=O)c2cccc(C#N)c2)n(C)n1 ZINC001259118581 898476182 /nfs/dbraw/zinc/47/61/82/898476182.db2.gz LPIWDZWZBOHRFV-UHFFFAOYSA-N 0 2 308.388 1.814 20 30 DDEDLN COc1ccc(CS(=O)(=O)Nc2ncn(C)c2C#N)cc1 ZINC001259893209 898905504 /nfs/dbraw/zinc/90/55/04/898905504.db2.gz QVBTYMVZMVEAML-UHFFFAOYSA-N 0 2 306.347 1.242 20 30 DDEDLN C#Cc1cc(NS(=O)(=O)c2c(C)nn(C)c2C)ccc1F ZINC001260111240 899058047 /nfs/dbraw/zinc/05/80/47/899058047.db2.gz OMOSBZIGJUKZJY-UHFFFAOYSA-N 0 2 307.350 1.958 20 30 DDEDLN N#C[C@@]1(F)CCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000615932999 362494572 /nfs/dbraw/zinc/49/45/72/362494572.db2.gz YYPUOPDKMLQORN-AWEZNQCLSA-N 0 2 302.265 1.108 20 30 DDEDLN C=CCCO[C@H](C)C(=O)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000590961232 355224702 /nfs/dbraw/zinc/22/47/02/355224702.db2.gz WYOIHTWXIJMYBG-SNVBAGLBSA-N 0 2 303.318 1.950 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C[C@@H](C)O)C2CC2)cc1C#N ZINC000594415452 356203161 /nfs/dbraw/zinc/20/31/61/356203161.db2.gz PMWAGYCMSMPOKW-MRVPVSSYSA-N 0 2 307.375 1.366 20 30 DDEDLN CC[C@]1(O)CCCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000601813560 358703196 /nfs/dbraw/zinc/70/31/96/358703196.db2.gz KGAZJSNLPFYWKO-HNNXBMFYSA-N 0 2 321.402 1.758 20 30 DDEDLN COC(C)(C)c1nc(=NC(=O)CC2(C#N)CCOCC2)s[nH]1 ZINC000601797255 358697993 /nfs/dbraw/zinc/69/79/93/358697993.db2.gz SWTGIKPVDRGIMR-UHFFFAOYSA-N 0 2 324.406 1.490 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2scnc2C)cc1C#N ZINC000104917602 194053424 /nfs/dbraw/zinc/05/34/24/194053424.db2.gz WABIEKKQLNCIGT-UHFFFAOYSA-N 0 2 320.399 1.663 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[C@H](O)C2)cc1C#N ZINC000331062833 533078418 /nfs/dbraw/zinc/07/84/18/533078418.db2.gz OBJVTOSZFKMHQD-SCZZXKLOSA-N 0 2 307.375 1.272 20 30 DDEDLN CC(C)(C)c1[nH]n(CC(=O)NCC2CC2)c(=O)c1CCC#N ZINC000153503161 407837062 /nfs/dbraw/zinc/83/70/62/407837062.db2.gz YOEBQKQDCUZJDS-UHFFFAOYSA-N 0 2 304.394 1.869 20 30 DDEDLN CCOCCNC(=O)Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O ZINC000153529621 407845751 /nfs/dbraw/zinc/84/57/51/407845751.db2.gz PPYZTZIFSPXGTF-UHFFFAOYSA-N 0 2 322.409 1.495 20 30 DDEDLN C=CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000158581986 408346321 /nfs/dbraw/zinc/34/63/21/408346321.db2.gz ZPDMYBQZMZYUII-UHFFFAOYSA-N 0 2 323.399 1.860 20 30 DDEDLN C#CCNC(=O)c1ccccc1NS(=O)(=O)N1CCC[C@@H]1C ZINC000185202717 408779130 /nfs/dbraw/zinc/77/91/30/408779130.db2.gz PCCMRWKUPGQKIH-LBPRGKRZSA-N 0 2 321.402 1.191 20 30 DDEDLN CCc1ccc([C@H](C#N)NC(=O)CSc2n[nH]c(=O)[nH]2)cc1 ZINC000293276120 409080556 /nfs/dbraw/zinc/08/05/56/409080556.db2.gz HOQUUMQUHZRJLD-NSHDSACASA-N 0 2 317.374 1.134 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CF)cc2[nH]c1=S ZINC000288430503 409168116 /nfs/dbraw/zinc/16/81/16/409168116.db2.gz XZGYVVBNROFVDY-VIFPVBQESA-N 0 2 321.377 1.959 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)c1C#N ZINC000357245727 409952783 /nfs/dbraw/zinc/95/27/83/409952783.db2.gz QPHHPRZENPHEBS-CYBMUJFWSA-N 0 2 317.780 2.485 20 30 DDEDLN Cc1n[nH]c(NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)n1 ZINC000328610361 409933392 /nfs/dbraw/zinc/93/33/92/409933392.db2.gz HKRHFKXEBHRMPU-JQWIXIFHSA-N 0 2 304.354 1.829 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CC[C@H](C)[C@H](O)C2)cc1C#N ZINC000357994995 410337717 /nfs/dbraw/zinc/33/77/17/410337717.db2.gz NTPPJTDMGGZGMW-GZMMTYOYSA-N 0 2 307.375 1.224 20 30 DDEDLN C=CCOc1ccc(CNS(=O)(=O)NCC(F)(F)F)cc1 ZINC000351987011 410393695 /nfs/dbraw/zinc/39/36/95/410393695.db2.gz OXJTXYBHTIQGAR-UHFFFAOYSA-N 0 2 324.324 1.738 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccnc2ncnn21 ZINC000347335591 410478468 /nfs/dbraw/zinc/47/84/68/410478468.db2.gz UNICSHRBBWCNIW-UHFFFAOYSA-N 0 2 314.330 1.105 20 30 DDEDLN C=CCOCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000355622080 410613856 /nfs/dbraw/zinc/61/38/56/410613856.db2.gz AFHGRXSLNIDRSB-UHFFFAOYSA-N 0 2 303.278 1.521 20 30 DDEDLN N#Cc1cc(F)ccc1CN1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377493723 418710611 /nfs/dbraw/zinc/71/06/11/418710611.db2.gz SGZULQHXYUJSNF-NSHDSACASA-N 0 2 301.325 1.901 20 30 DDEDLN N#C[C@@H]1CN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CCO1 ZINC000365549617 418874380 /nfs/dbraw/zinc/87/43/80/418874380.db2.gz BVUHGGQFOHUXLC-SECBINFHSA-N 0 2 321.387 1.445 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)[C@H]2CCCOC2)cc1C#N ZINC000517603734 421620400 /nfs/dbraw/zinc/62/04/00/421620400.db2.gz YMHXFZKFTNZLQY-JTQLQIEISA-N 0 2 307.375 1.632 20 30 DDEDLN COc1cncc(S(=O)(=O)Nc2cc(C)nn2CCC#N)c1 ZINC000532726465 336268551 /nfs/dbraw/zinc/26/85/51/336268551.db2.gz XCQCISFTJNWFCQ-UHFFFAOYSA-N 0 2 321.362 1.310 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000515462250 337990191 /nfs/dbraw/zinc/99/01/91/337990191.db2.gz PGGLZGNCJYDJQZ-OCCSQVGLSA-N 0 2 317.320 1.790 20 30 DDEDLN COc1cc(S(=O)(=O)Nc2ccn(CCC#N)n2)ccc1F ZINC000190776616 340546955 /nfs/dbraw/zinc/54/69/55/340546955.db2.gz YICDSMOVDHOPIK-UHFFFAOYSA-N 0 2 324.337 1.745 20 30 DDEDLN Cc1cc(NS(=O)(=O)c2ccc(C)nc2)n(CCC#N)n1 ZINC000554674789 341460926 /nfs/dbraw/zinc/46/09/26/341460926.db2.gz BUWTWDAIPUEPSC-UHFFFAOYSA-N 0 2 305.363 1.609 20 30 DDEDLN C#CCN(CC)C(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000490574501 526894292 /nfs/dbraw/zinc/89/42/92/526894292.db2.gz ZOJWXHJTDKNESU-UHFFFAOYSA-N 0 2 315.398 1.800 20 30 DDEDLN C=C[C@@H](CO)NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000350462873 527430279 /nfs/dbraw/zinc/43/02/79/527430279.db2.gz RALJRRGIMSBVJB-JTQLQIEISA-N 0 2 324.793 1.949 20 30 DDEDLN C[C@@H](CNC(=O)[O-])[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000824966297 603558969 /nfs/dbraw/zinc/55/89/69/603558969.db2.gz CWFAZNQRLQCJFZ-JTQLQIEISA-N 0 2 315.333 1.696 20 30 DDEDLN C[C@@H](CNC(=O)[O-])[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000824966297 603558974 /nfs/dbraw/zinc/55/89/74/603558974.db2.gz CWFAZNQRLQCJFZ-JTQLQIEISA-N 0 2 315.333 1.696 20 30 DDEDLN N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000831137466 603574473 /nfs/dbraw/zinc/57/44/73/603574473.db2.gz ZIPCMUPJMKVDDS-ZDUSSCGKSA-N 0 2 302.334 1.229 20 30 DDEDLN N#Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2CNC(=O)[O-])cc1 ZINC000831137466 603574474 /nfs/dbraw/zinc/57/44/74/603574474.db2.gz ZIPCMUPJMKVDDS-ZDUSSCGKSA-N 0 2 302.334 1.229 20 30 DDEDLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)Cc1cc(F)ccc1C#N ZINC000828316711 604319206 /nfs/dbraw/zinc/31/92/06/604319206.db2.gz SMGHZWMIXQTYHH-UHFFFAOYSA-N 0 2 320.368 1.425 20 30 DDEDLN N#C[C@@H]1CN(C(=O)[O-])C[C@H]1[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000833966733 605685373 /nfs/dbraw/zinc/68/53/73/605685373.db2.gz NALAUVCMQKEHQB-RAIGVLPGSA-N 0 2 309.753 1.465 20 30 DDEDLN CC(C)NC(=O)CCCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000122644512 696724048 /nfs/dbraw/zinc/72/40/48/696724048.db2.gz CZSMFMUDEWESCQ-NSHDSACASA-N 0 2 304.350 1.007 20 30 DDEDLN COCCNC(=O)C(C#N)=C(O)c1ccc(-c2ccccc2)[nH]1 ZINC000171796897 697362215 /nfs/dbraw/zinc/36/22/15/697362215.db2.gz DZOBBZUNZDMIFU-CYBMUJFWSA-N 0 2 311.341 1.767 20 30 DDEDLN CC[C@@H]1C[C@@H](CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)CCO1 ZINC000781826154 698652235 /nfs/dbraw/zinc/65/22/35/698652235.db2.gz WTUNOTAOBPKHGG-YNEHKIRRSA-N 0 2 303.362 1.907 20 30 DDEDLN Cc1nc(CC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)c(C)s1 ZINC000786473175 699148587 /nfs/dbraw/zinc/14/85/87/699148587.db2.gz ZJMIZTFOJHABFN-SNVBAGLBSA-N 0 2 302.359 1.628 20 30 DDEDLN C#CCOc1ccc(NC(=O)CC2SC(=N)NC2=O)cc1 ZINC000742649805 699885029 /nfs/dbraw/zinc/88/50/29/699885029.db2.gz IKIGDCYJZCZTQO-LLVKDONJSA-N 0 2 303.343 1.194 20 30 DDEDLN N#C[C@@H](C(=O)[C@H]1COCCN1CC(F)(F)F)c1ccccn1 ZINC000796782035 699952226 /nfs/dbraw/zinc/95/22/26/699952226.db2.gz OJJOQGIANQVHKR-ZYHUDNBSSA-N 0 2 313.279 1.521 20 30 DDEDLN N#CC(C(=O)CNC(=O)Cc1cccc(F)c1)c1ccncn1 ZINC000760334558 700803038 /nfs/dbraw/zinc/80/30/38/700803038.db2.gz POQHPPJBIXKPMM-CYBMUJFWSA-N 0 2 312.304 1.151 20 30 DDEDLN N#C[C@@H](C(=O)CNC(=O)Cc1cccc(F)c1)c1ccncn1 ZINC000760334558 700803041 /nfs/dbraw/zinc/80/30/41/700803041.db2.gz POQHPPJBIXKPMM-CYBMUJFWSA-N 0 2 312.304 1.151 20 30 DDEDLN Cc1cccc2[nH+]cc(/C=C/C(=O)c3cnc([O-])n(C)c3=O)n21 ZINC000761805640 700869795 /nfs/dbraw/zinc/86/97/95/700869795.db2.gz JCJLFKXLZNHBFU-VOTSOKGWSA-N 0 2 310.313 1.338 20 30 DDEDLN Cc1noc(C)c1[C@H](C)C(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770863024 701298077 /nfs/dbraw/zinc/29/80/77/701298077.db2.gz PTJSKRGWXCBXPG-GZMMTYOYSA-N 0 2 300.318 1.720 20 30 DDEDLN COc1ccc(C)cc1CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000770871810 701298566 /nfs/dbraw/zinc/29/85/66/701298566.db2.gz QGGGXXRXZKYEDB-CYBMUJFWSA-N 0 2 311.341 1.871 20 30 DDEDLN CCO[C@@H]1CC(=NNc2cnnc(O)c2Cl)[C@]12CCCO2 ZINC000819803710 704175747 /nfs/dbraw/zinc/17/57/47/704175747.db2.gz USARKSDRQOCTQK-ZWNOBZJWSA-N 0 2 312.757 1.962 20 30 DDEDLN CC[C@](C)(C#N)NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000858982326 704779803 /nfs/dbraw/zinc/77/98/03/704779803.db2.gz ZUCQXVLPJFFHSH-GFCCVEGCSA-N 0 2 317.267 1.880 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000873644376 704815416 /nfs/dbraw/zinc/81/54/16/704815416.db2.gz WXKOQFFIEBNHJX-CQDKDKBSSA-N 0 2 316.357 1.815 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1 ZINC000873644376 704815423 /nfs/dbraw/zinc/81/54/23/704815423.db2.gz WXKOQFFIEBNHJX-CQDKDKBSSA-N 0 2 316.357 1.815 20 30 DDEDLN CC[C@@H](C#N)N(C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC000875814001 705522373 /nfs/dbraw/zinc/52/23/73/705522373.db2.gz GTEBCEKVNRHNAM-QMMMGPOBSA-N 0 2 317.267 1.832 20 30 DDEDLN COc1ccc(CCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cn1 ZINC000892862778 710514828 /nfs/dbraw/zinc/51/48/28/710514828.db2.gz DOTAZNNZTFHRSQ-GFCCVEGCSA-N 0 2 312.329 1.348 20 30 DDEDLN C[S@](=O)(=NS(=O)(=O)NC1(C#N)CC1)C1CCCCC1 ZINC000906062453 712234507 /nfs/dbraw/zinc/23/45/07/712234507.db2.gz YUTQWGLNTZICAX-GOSISDBHSA-N 0 2 305.425 1.307 20 30 DDEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(OC)c2)NC1=O ZINC000914582074 713397825 /nfs/dbraw/zinc/39/78/25/713397825.db2.gz PFMIWHCZUDUMJC-NSHDSACASA-N 0 2 323.374 1.059 20 30 DDEDLN COC(=O)C1(C#N)CC[NH+](Cc2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC001140498240 734536611 /nfs/dbraw/zinc/53/66/11/734536611.db2.gz HQACPTWRBNRVOE-UHFFFAOYSA-N 0 2 319.361 1.609 20 30 DDEDLN C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)C(F)C(F)(F)F ZINC001104848239 737278695 /nfs/dbraw/zinc/27/86/95/737278695.db2.gz YSIZCIJRYNOYCQ-GMSGAONNSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CNc1ccc(C#N)nn1)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC001104848239 737278700 /nfs/dbraw/zinc/27/87/00/737278700.db2.gz YSIZCIJRYNOYCQ-GMSGAONNSA-N 0 2 319.262 1.507 20 30 DDEDLN C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC001028069289 738987388 /nfs/dbraw/zinc/98/73/88/738987388.db2.gz FXWMOQDYTNIOKV-INIZCTEOSA-N 0 2 323.400 1.689 20 30 DDEDLN CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001088183725 741097778 /nfs/dbraw/zinc/09/77/78/741097778.db2.gz SUHBCCWGUGBBGU-CABCVRRESA-N 0 2 300.406 1.064 20 30 DDEDLN CSc1ncc(O)c(C(=O)N/C=C/C(=O)C(F)(F)F)n1 ZINC001185187588 744174371 /nfs/dbraw/zinc/17/43/71/744174371.db2.gz CTZFACPSYZZLNI-NSCUHMNNSA-N 0 2 307.253 1.279 20 30 DDEDLN C=C[C@H]1C[C@@]1(NC(=O)c1ccc(O)c(F)c1F)C(=O)OCC ZINC001192842202 745913472 /nfs/dbraw/zinc/91/34/72/745913472.db2.gz FYLCJNSHDHXZHL-AYVTZFPOSA-N 0 2 311.284 1.908 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](Cc3n[nH]c(=O)[n-]3)[C@H]2C)C1 ZINC000993786240 746325427 /nfs/dbraw/zinc/32/54/27/746325427.db2.gz FIHKXWUTEHDMNH-NWDGAFQWSA-N 0 2 319.409 1.336 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3n[nH]c(=O)[n-]3)[C@H]2C)C1 ZINC000993786240 746325436 /nfs/dbraw/zinc/32/54/36/746325436.db2.gz FIHKXWUTEHDMNH-NWDGAFQWSA-N 0 2 319.409 1.336 20 30 DDEDLN C=C(C)C[C@H](C)C(=O)N1CCCN(Cc2n[nH]c(=O)[nH]2)CC1 ZINC001196880137 746988044 /nfs/dbraw/zinc/98/80/44/746988044.db2.gz HPVFSUBWEXGCCN-LBPRGKRZSA-N 0 2 307.398 1.147 20 30 DDEDLN COC(=O)CCCCS(=O)(=O)Nc1cc(C)ccc1C#N ZINC001196913801 747008679 /nfs/dbraw/zinc/00/86/79/747008679.db2.gz XRJJYMIULOBWKD-UHFFFAOYSA-N 0 2 310.375 1.952 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(N)c(N)c2)c(C#N)c1 ZINC001212784190 749363306 /nfs/dbraw/zinc/36/33/06/749363306.db2.gz CBBWUUASINEELF-UHFFFAOYSA-N 0 2 318.358 1.532 20 30 DDEDLN C=C(C)CN1CC2(C1)CN(C(=O)C(F)C(F)(F)F)CCO2 ZINC001053263752 758319313 /nfs/dbraw/zinc/31/93/13/758319313.db2.gz XNUGTVXCHUYQBX-SNVBAGLBSA-N 0 2 310.291 1.376 20 30 DDEDLN N#Cc1cncc(N[C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)n1 ZINC001056803999 761444374 /nfs/dbraw/zinc/44/43/74/761444374.db2.gz KTAYXEBWWWRIEX-XCBNKYQSSA-N 0 2 317.246 1.261 20 30 DDEDLN N#Cc1cncc(N[C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)n1 ZINC001056803999 761444375 /nfs/dbraw/zinc/44/43/75/761444375.db2.gz KTAYXEBWWWRIEX-XCBNKYQSSA-N 0 2 317.246 1.261 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)N(C)c1nccnc1C#N ZINC001113934625 766425585 /nfs/dbraw/zinc/42/55/85/766425585.db2.gz OPPKKBXXUODFEX-VXNVDRBHSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)N(C)c1nccnc1C#N ZINC001113934625 766425596 /nfs/dbraw/zinc/42/55/96/766425596.db2.gz OPPKKBXXUODFEX-VXNVDRBHSA-N 0 2 319.262 1.190 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132217829 768690574 /nfs/dbraw/zinc/69/05/74/768690574.db2.gz HNNZSSDTPDBVFY-GHMZBOCLSA-N 0 2 307.398 1.192 20 30 DDEDLN C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132217829 768690577 /nfs/dbraw/zinc/69/05/77/768690577.db2.gz HNNZSSDTPDBVFY-GHMZBOCLSA-N 0 2 307.398 1.192 20 30 DDEDLN CN(CCNC(=O)C(F)C(F)(F)F)c1ncc(C#N)cc1F ZINC001100367036 776059138 /nfs/dbraw/zinc/05/91/38/776059138.db2.gz PZVQCTKOTOKWEF-VIFPVBQESA-N 0 2 322.237 1.545 20 30 DDEDLN CN(CCNC(=O)[C@H](F)C(F)(F)F)c1ncc(C#N)cc1F ZINC001100367036 776059144 /nfs/dbraw/zinc/05/91/44/776059144.db2.gz PZVQCTKOTOKWEF-VIFPVBQESA-N 0 2 322.237 1.545 20 30 DDEDLN N#CCCC(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001143198525 861408698 /nfs/dbraw/zinc/40/86/98/861408698.db2.gz ACAXEDAQXJBKFM-UHFFFAOYSA-N 0 2 310.273 1.215 20 30 DDEDLN C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001424801741 844794731 /nfs/dbraw/zinc/79/47/31/844794731.db2.gz HNIWSLUFPBROKL-WCBMZHEXSA-N 0 2 323.290 1.496 20 30 DDEDLN C[C@@H](C#N)C(=O)N(C)C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001424801741 844794736 /nfs/dbraw/zinc/79/47/36/844794736.db2.gz HNIWSLUFPBROKL-WCBMZHEXSA-N 0 2 323.290 1.496 20 30 DDEDLN C=CC(C)(C)C(=O)NCC1(NC(=O)C(F)C(F)(F)F)CC1 ZINC001299213099 845786121 /nfs/dbraw/zinc/78/61/21/845786121.db2.gz PVSPEYHSGFUFRB-MRVPVSSYSA-N 0 2 310.291 1.864 20 30 DDEDLN C=CC(C)(C)C(=O)NCC1(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001299213099 845786127 /nfs/dbraw/zinc/78/61/27/845786127.db2.gz PVSPEYHSGFUFRB-MRVPVSSYSA-N 0 2 310.291 1.864 20 30 DDEDLN COc1cc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)[nH]n1 ZINC001412238370 854364896 /nfs/dbraw/zinc/36/48/96/854364896.db2.gz BNTUSPDBAPCCRY-UHFFFAOYSA-N 0 2 305.319 1.365 20 30 DDEDLN C/C(=C/c1ccccc1)CN(C)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001412885357 855754009 /nfs/dbraw/zinc/75/40/09/855754009.db2.gz VFYUZALRZQJZOE-XFXZXTDPSA-N 0 2 310.357 1.485 20 30 DDEDLN CCOc1cccc(Cl)c1Cn1c(=O)[nH]cc(C#N)c1=O ZINC001412922750 855785692 /nfs/dbraw/zinc/78/56/92/855785692.db2.gz POWCLWNJGKNWQL-UHFFFAOYSA-N 0 2 305.721 1.509 20 30 DDEDLN C[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC(C)(C)O1 ZINC001412942635 855802839 /nfs/dbraw/zinc/80/28/39/855802839.db2.gz PSKLSQSDEMTFBL-SNVBAGLBSA-N 0 2 301.350 1.306 20 30 DDEDLN C[C@@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CC(C)(C)O1 ZINC001412942635 855802847 /nfs/dbraw/zinc/80/28/47/855802847.db2.gz PSKLSQSDEMTFBL-SNVBAGLBSA-N 0 2 301.350 1.306 20 30 DDEDLN N#C[C@@H](C(=O)CCn1cccn1)c1nc(N)c2ccccc2n1 ZINC001122624733 858918847 /nfs/dbraw/zinc/91/88/47/858918847.db2.gz LXHUZCRXBZEFQU-LBPRGKRZSA-N 0 2 306.329 1.675 20 30 DDEDLN COC(=O)CCCONC(=O)C1(c2cccc(C#N)c2)CC1 ZINC001334036283 867255308 /nfs/dbraw/zinc/25/53/08/867255308.db2.gz DWWMVLULIFWQDD-UHFFFAOYSA-N 0 2 302.330 1.591 20 30 DDEDLN C=CCC1(C(=O)NCC[N@@H+](CC)Cc2n[nH]c(=O)[n-]2)CCCC1 ZINC001317492947 870913177 /nfs/dbraw/zinc/91/31/77/870913177.db2.gz XBCIWWCSINFRPD-UHFFFAOYSA-N 0 2 321.425 1.585 20 30 DDEDLN C=CCC1(C(=O)NCC[N@H+](CC)Cc2n[nH]c(=O)[n-]2)CCCC1 ZINC001317492947 870913186 /nfs/dbraw/zinc/91/31/86/870913186.db2.gz XBCIWWCSINFRPD-UHFFFAOYSA-N 0 2 321.425 1.585 20 30 DDEDLN Cn1c(=O)[nH]c(NCCC[C@H]2CC2(Cl)Cl)c(C#N)c1=O ZINC001336664578 870977509 /nfs/dbraw/zinc/97/75/09/870977509.db2.gz IIDVPNQIOHUURE-ZETCQYMHSA-N 0 2 317.176 1.331 20 30 DDEDLN C=CCN(CCOC)c1nnc(-c2c[nH]n(CC)c2=O)n1CC ZINC001341335671 871613569 /nfs/dbraw/zinc/61/35/69/871613569.db2.gz BFAQRDJTTKSOCE-UHFFFAOYSA-N 0 2 320.397 1.526 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc(CCC(N)=O)cc1 ZINC001361887518 882578008 /nfs/dbraw/zinc/57/80/08/882578008.db2.gz CWJVDWUZUVMJNN-UHFFFAOYSA-N 0 2 324.340 1.638 20 30 DDEDLN N#Cc1c[nH]c(=O)n(Cc2c(F)cccc2Br)c1=O ZINC001364282243 888289260 /nfs/dbraw/zinc/28/92/60/888289260.db2.gz CSXUHWSORAGDAB-UHFFFAOYSA-N 0 2 324.109 1.358 20 30 DDEDLN C=C[C@H](CC(=O)OC(C)(C)C)Oc1[nH]c(=O)nc2nc[nH]c21 ZINC001227064237 882805084 /nfs/dbraw/zinc/80/50/84/882805084.db2.gz MGFPYHRBJVEAOB-MRVPVSSYSA-N 0 2 306.322 1.724 20 30 DDEDLN C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1nn(C)cc1O ZINC001363665994 886925508 /nfs/dbraw/zinc/92/55/08/886925508.db2.gz MNTXMYDMLVQSSF-ZETCQYMHSA-N 0 2 306.272 1.767 20 30 DDEDLN CC(C)CCN(CCC(C)C)c1[nH]c(=O)n(C)c(=O)c1C#N ZINC001364530048 888859926 /nfs/dbraw/zinc/85/99/26/888859926.db2.gz AEVNTFQSUXQQEZ-UHFFFAOYSA-N 0 2 306.410 1.844 20 30 DDEDLN CCCCS(=O)(=O)Nc1c(C#N)cnn1-c1ncccn1 ZINC001253787178 896091714 /nfs/dbraw/zinc/09/17/14/896091714.db2.gz VNBFAOKTROYUIE-UHFFFAOYSA-N 0 2 306.351 1.076 20 30 DDEDLN COC(=O)c1cncc(NS(=O)(=O)c2ccccc2C#N)c1 ZINC001258201849 898103549 /nfs/dbraw/zinc/10/35/49/898103549.db2.gz NJNBOCXRKKWALE-UHFFFAOYSA-N 0 2 317.326 1.541 20 30 DDEDLN C=C(Br)CN1CC(NC(=O)C(F)C(F)(F)F)C1 ZINC001391417292 901701750 /nfs/dbraw/zinc/70/17/50/901701750.db2.gz BCXCYASVPKUGRL-ZETCQYMHSA-N 0 2 319.096 1.596 20 30 DDEDLN C=C(Br)CN1CC(NC(=O)[C@H](F)C(F)(F)F)C1 ZINC001391417292 901701761 /nfs/dbraw/zinc/70/17/61/901701761.db2.gz BCXCYASVPKUGRL-ZETCQYMHSA-N 0 2 319.096 1.596 20 30 DDEDLN CC(C)C#CC(=O)N1CC(CNC(=O)C(F)C(F)(F)F)C1 ZINC001297214432 916814250 /nfs/dbraw/zinc/81/42/50/916814250.db2.gz AMVMHZYZAVTHKN-NSHDSACASA-N 0 2 308.275 1.121 20 30 DDEDLN CC(C)C#CC(=O)N1CC(CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001297214432 916814265 /nfs/dbraw/zinc/81/42/65/916814265.db2.gz AMVMHZYZAVTHKN-NSHDSACASA-N 0 2 308.275 1.121 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)NOC(C)C)cc2[nH]c1=S ZINC000295775226 222813920 /nfs/dbraw/zinc/81/39/20/222813920.db2.gz XIBYKVUEYWDPGS-UHFFFAOYSA-N 0 2 319.386 1.941 20 30 DDEDLN Cc1cc(C(=O)NC2=NC(=O)CN2)c2cnn(C(C)C)c2n1 ZINC000050223279 352565223 /nfs/dbraw/zinc/56/52/23/352565223.db2.gz RMXXRLPYVUFPRD-UHFFFAOYSA-N 0 2 300.322 1.111 20 30 DDEDLN CC[C@H](C#N)C(=O)N[C@H](C#N)c1cc(OC)c(OC)c(OC)c1 ZINC000593443833 355886532 /nfs/dbraw/zinc/88/65/32/355886532.db2.gz ISTKPKRIEOEIJT-ZYHUDNBSSA-N 0 2 317.345 1.943 20 30 DDEDLN N#CC1(CNC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)CCCC1 ZINC000593780338 355992790 /nfs/dbraw/zinc/99/27/90/355992790.db2.gz XHXGAKZWLIZBND-UHFFFAOYSA-N 0 2 313.317 1.250 20 30 DDEDLN CC(=O)N[C@@H]1C(C)=NN(c2ccc(C#N)cc2C(F)(F)F)C1=O ZINC000601950009 358749380 /nfs/dbraw/zinc/74/93/80/358749380.db2.gz SIHDEIXLWSQISH-GFCCVEGCSA-N 0 2 324.262 1.804 20 30 DDEDLN CC(=O)Nc1c(C)[nH]n(-c2ccc(C#N)cc2C(F)(F)F)c1=O ZINC000601950009 358749382 /nfs/dbraw/zinc/74/93/82/358749382.db2.gz SIHDEIXLWSQISH-GFCCVEGCSA-N 0 2 324.262 1.804 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCSC[C@H]2C)cc1C#N ZINC000610011614 360373634 /nfs/dbraw/zinc/37/36/34/360373634.db2.gz HFWMSBLUUBCADS-MRVPVSSYSA-N 0 2 309.416 1.958 20 30 DDEDLN Cc1[nH+]ccn1C[C@@H]1CCCN1C([O-])=[NH+]C[C@]1(C)CCOC1 ZINC000330201865 223088450 /nfs/dbraw/zinc/08/84/50/223088450.db2.gz YLXQFGUWQPZIBS-HOCLYGCPSA-N 0 2 306.410 1.997 20 30 DDEDLN COCC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000579727982 422822771 /nfs/dbraw/zinc/82/27/71/422822771.db2.gz DFOYIZDTRBHHJC-GOSISDBHSA-N 0 2 317.433 1.462 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)cn1 ZINC000130812784 407710084 /nfs/dbraw/zinc/71/00/84/407710084.db2.gz PPUXMGBTDALBNB-UHFFFAOYSA-N 0 2 300.303 1.025 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)cn1 ZINC000130812784 407710092 /nfs/dbraw/zinc/71/00/92/407710092.db2.gz PPUXMGBTDALBNB-UHFFFAOYSA-N 0 2 300.303 1.025 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)cn1 ZINC000130812784 407710100 /nfs/dbraw/zinc/71/01/00/407710100.db2.gz PPUXMGBTDALBNB-UHFFFAOYSA-N 0 2 300.303 1.025 20 30 DDEDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(C#N)c(F)c1 ZINC000307962062 164004132 /nfs/dbraw/zinc/00/41/32/164004132.db2.gz MSAYURGEJFGCTN-UHFFFAOYSA-N 0 2 308.338 1.849 20 30 DDEDLN CC[C@H](C[C@H](C)CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000345063186 409618206 /nfs/dbraw/zinc/61/82/06/409618206.db2.gz ULKLEWZWRUNTDC-GXSJLCMTSA-N 0 2 323.418 1.908 20 30 DDEDLN C=C[C@H](CO)NC(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000356857489 409668874 /nfs/dbraw/zinc/66/88/74/409668874.db2.gz RTYUABURFNKQQS-LLVKDONJSA-N 0 2 305.309 1.302 20 30 DDEDLN COC[C@@H]1CCCN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C1 ZINC000349778127 409909438 /nfs/dbraw/zinc/90/94/38/409909438.db2.gz PMCDSBJYDPKEPS-SNVBAGLBSA-N 0 2 321.402 1.879 20 30 DDEDLN N#Cc1nc(NC(=O)c2csc([C@@H]3CCCO3)n2)[nH]c1C#N ZINC000339596288 410317124 /nfs/dbraw/zinc/31/71/24/410317124.db2.gz DTSKBSWXUGUGFA-JTQLQIEISA-N 0 2 314.330 1.713 20 30 DDEDLN C=CCOc1ccc(C(=O)NCc2n[nH]c(=O)[nH]2)cc1OC ZINC000358348108 410450490 /nfs/dbraw/zinc/45/04/90/410450490.db2.gz AEGSNVGFRABWLE-UHFFFAOYSA-N 0 2 304.306 1.014 20 30 DDEDLN COC(=O)[C@@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)C(C)C ZINC000344639049 411112548 /nfs/dbraw/zinc/11/25/48/411112548.db2.gz BGPJGRVZWCVOPR-JTQLQIEISA-N 0 2 323.374 1.308 20 30 DDEDLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ccn(CCC#N)n1 ZINC000276992795 222509662 /nfs/dbraw/zinc/50/96/62/222509662.db2.gz ILRQNDFVWZNBKV-UHFFFAOYSA-N 0 2 317.271 1.192 20 30 DDEDLN COc1ncccc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427102404 419597628 /nfs/dbraw/zinc/59/76/28/419597628.db2.gz UKZYZAFVRQKROB-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN COC(=O)c1nscc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000447345407 420768552 /nfs/dbraw/zinc/76/85/52/420768552.db2.gz LVHWDZYJSAWUDS-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN N#Cc1ccc(C=CC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1 ZINC000493285651 420807637 /nfs/dbraw/zinc/80/76/37/420807637.db2.gz AENUPNBYPUGYLJ-NPQIQWPPSA-N 0 2 323.356 1.801 20 30 DDEDLN C=CCC[C@H](NC(=O)c1cccc2[nH]nnc21)C(=O)OCC ZINC000566840721 421608836 /nfs/dbraw/zinc/60/88/36/421608836.db2.gz YKBGPMCZYIKSRT-LBPRGKRZSA-N 0 2 302.334 1.586 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000582281576 422143654 /nfs/dbraw/zinc/14/36/54/422143654.db2.gz ONFFSFDLSBSDMY-NEPJUHHUSA-N 0 2 301.302 1.560 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)o2)o1 ZINC000342564557 268208931 /nfs/dbraw/zinc/20/89/31/268208931.db2.gz ZKHXAGQXGYRVMJ-UHFFFAOYSA-N 0 2 306.259 1.595 20 30 DDEDLN C=CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)C(=O)OCC ZINC000456614784 277837296 /nfs/dbraw/zinc/83/72/96/277837296.db2.gz VLGMNFFZUQTYNF-GFCCVEGCSA-N 0 2 322.317 1.928 20 30 DDEDLN N#Cc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)nc1 ZINC000170966766 298225205 /nfs/dbraw/zinc/22/52/05/298225205.db2.gz AASTXWFJEKRLLM-UHFFFAOYSA-N 0 2 307.269 1.549 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCOCC23CC3)cc1C#N ZINC000549139287 303606544 /nfs/dbraw/zinc/60/65/44/303606544.db2.gz DWHAVFAKACHUEG-UHFFFAOYSA-N 0 2 305.359 1.386 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2ncccc2O)cc1C#N ZINC000352517483 500876760 /nfs/dbraw/zinc/87/67/60/500876760.db2.gz PQLBYUMTTTXPMX-UHFFFAOYSA-N 0 2 316.342 1.411 20 30 DDEDLN COc1cccc(S(O)=CC(=O)NCC(C)(C)CC#N)c1 ZINC000424891334 533819027 /nfs/dbraw/zinc/81/90/27/533819027.db2.gz JPBFYFZUENVMGO-OAQYLSRUSA-N 0 2 308.403 1.859 20 30 DDEDLN C=CCCO[C@H](C)C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000339600650 527396574 /nfs/dbraw/zinc/39/65/74/527396574.db2.gz LWUNRNHKARFJHO-SNVBAGLBSA-N 0 2 304.375 1.942 20 30 DDEDLN N#Cc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000821329862 597429853 /nfs/dbraw/zinc/42/98/53/597429853.db2.gz NBFRTWSRXHGTLE-CQSZACIVSA-N 0 2 301.346 1.114 20 30 DDEDLN N#Cc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000821329862 597429856 /nfs/dbraw/zinc/42/98/56/597429856.db2.gz NBFRTWSRXHGTLE-CQSZACIVSA-N 0 2 301.346 1.114 20 30 DDEDLN Cc1cc(C(N)=[NH+]OCc2noc(CCC(=O)[O-])n2)ccc1F ZINC000738352603 600283234 /nfs/dbraw/zinc/28/32/34/600283234.db2.gz SEBPIYALABWIPD-UHFFFAOYSA-N 0 2 322.296 1.371 20 30 DDEDLN N#Cc1ccc([C@H]([NH2+]CC(=O)NC2CCCC2)C(=O)[O-])cc1 ZINC000739104446 600596697 /nfs/dbraw/zinc/59/66/97/600596697.db2.gz AWMGJDGBHFXJBX-HNNXBMFYSA-N 0 2 301.346 1.332 20 30 DDEDLN CC(C)CN(CCC(=O)[O-])c1[nH+]cnc2c1cnn2CCC#N ZINC000826875921 604776022 /nfs/dbraw/zinc/77/60/22/604776022.db2.gz NEARTDKETYATOV-UHFFFAOYSA-N 0 2 316.365 1.677 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)NCCCF)cc2[nH]c1=S ZINC000154163120 696927483 /nfs/dbraw/zinc/92/74/83/696927483.db2.gz QUOGQBBEYKIQCU-UHFFFAOYSA-N 0 2 321.377 1.961 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CSCc1cscn1 ZINC000158396873 696989459 /nfs/dbraw/zinc/98/94/59/696989459.db2.gz FRYPZQIOEQRRTN-JTQLQIEISA-N 0 2 320.399 1.702 20 30 DDEDLN C#CCOc1ccccc1NC(=O)CC1SC(=N)NC1=O ZINC000775940619 698054559 /nfs/dbraw/zinc/05/45/59/698054559.db2.gz RGHFFGHQKJDILM-LLVKDONJSA-N 0 2 303.343 1.194 20 30 DDEDLN C#C[C@H](NC(=O)c1c[nH]c2nc(C)ccc2c1=O)[C@@H]1CCCO1 ZINC000776271101 698090050 /nfs/dbraw/zinc/09/00/50/698090050.db2.gz YHYIUQCIIZSODB-KBPBESRZSA-N 0 2 311.341 1.554 20 30 DDEDLN CCCCCCCCOC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC000730658384 699514040 /nfs/dbraw/zinc/51/40/40/699514040.db2.gz WXVFBNDDCFJQON-UHFFFAOYSA-N 0 2 306.366 1.975 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2ccc(C#N)c(F)c2)cn1 ZINC000793386191 699753285 /nfs/dbraw/zinc/75/32/85/699753285.db2.gz VVWJRNWYFSXDNU-UHFFFAOYSA-N 0 2 305.294 1.218 20 30 DDEDLN C#CCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801385926 700302430 /nfs/dbraw/zinc/30/24/30/700302430.db2.gz WUDYYVRZQBCOLC-UHFFFAOYSA-N 0 2 321.676 1.930 20 30 DDEDLN CCNC(=O)N1CC[C@H](/N=C\c2cc([N+](=O)[O-])ccc2O)C1 ZINC000760212257 700797656 /nfs/dbraw/zinc/79/76/56/700797656.db2.gz JTADPJDUWGHGMS-FSKGUYTJSA-N 0 2 306.322 1.523 20 30 DDEDLN CC#CCCOC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000760287910 700800707 /nfs/dbraw/zinc/80/07/07/700800707.db2.gz UTNKEAAITVXEHH-UHFFFAOYSA-N 0 2 302.355 1.792 20 30 DDEDLN Cn1c(=O)c2ccc(C(=O)OC3(C#N)CCC3)cc2[nH]c1=S ZINC000762092018 700879634 /nfs/dbraw/zinc/87/96/34/700879634.db2.gz VWWWPTOJRNQBFY-UHFFFAOYSA-N 0 2 315.354 1.825 20 30 DDEDLN N#Cc1cc(C(=O)OCc2n[nH]c(=O)[nH]2)cnc1C(F)(F)F ZINC000815477566 701880824 /nfs/dbraw/zinc/88/08/24/701880824.db2.gz NMQNUHZSJYRUJI-UHFFFAOYSA-N 0 2 313.195 1.153 20 30 DDEDLN C#CCOc1ccccc1NS(=O)(=O)C[C@@H](OC)C1CC1 ZINC000842590317 702737251 /nfs/dbraw/zinc/73/72/51/702737251.db2.gz XGNGFCTZGKBFHN-OAHLLOKOSA-N 0 2 309.387 1.865 20 30 DDEDLN N#CC(C(=O)C1(c2ccccc2)CC1)=C(O)CCc1nc[nH]n1 ZINC000845841009 703208359 /nfs/dbraw/zinc/20/83/59/703208359.db2.gz ISIXEZPXWZWXRG-ZDUSSCGKSA-N 0 2 308.341 1.747 20 30 DDEDLN N#Cc1cccc(ONC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)c1 ZINC000870690964 704104846 /nfs/dbraw/zinc/10/48/46/704104846.db2.gz XIUWSIKQCUGNIY-CYBMUJFWSA-N 0 2 323.356 1.700 20 30 DDEDLN C=CCC1(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCCC1 ZINC000855927103 704507267 /nfs/dbraw/zinc/50/72/67/704507267.db2.gz CMCMMFULZIUVGT-UHFFFAOYSA-N 0 2 301.350 1.076 20 30 DDEDLN Cc1cc(O)c(C(=O)C=Cc2ccc(-n3cncn3)cc2)c(=O)o1 ZINC000884003431 708098222 /nfs/dbraw/zinc/09/82/22/708098222.db2.gz RZRGITSOQGXABD-OUOZUETKSA-N 0 2 323.308 1.496 20 30 DDEDLN C=C(C)C[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(=O)[O-] ZINC000910293156 709871436 /nfs/dbraw/zinc/87/14/36/709871436.db2.gz UXLLUJLSODYQIG-CHWSQXEVSA-N 0 2 306.366 1.326 20 30 DDEDLN C=C(C)C[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(=O)[O-] ZINC000910293156 709871439 /nfs/dbraw/zinc/87/14/39/709871439.db2.gz UXLLUJLSODYQIG-CHWSQXEVSA-N 0 2 306.366 1.326 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)C[C@@H]1CCC2(CCC2)O1 ZINC000892862801 710514835 /nfs/dbraw/zinc/51/48/35/710514835.db2.gz DTRIBSHEBVOSFR-RYUDHWBXSA-N 0 2 301.346 1.803 20 30 DDEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000892863891 710515080 /nfs/dbraw/zinc/51/50/80/710515080.db2.gz QJOVXWYKCHJXPL-RYUDHWBXSA-N 0 2 301.346 1.661 20 30 DDEDLN N#CC1(NS(=O)(=O)N=S2(=O)CCCC2)CCCCC1 ZINC000906061327 712233865 /nfs/dbraw/zinc/23/38/65/712233865.db2.gz GYOVYOQDOTYKCF-UHFFFAOYSA-N 0 2 305.425 1.309 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)NCC2C=CC3CC2CO3)cc1 ZINC000921618454 713823283 /nfs/dbraw/zinc/82/32/83/713823283.db2.gz ZHZMXMGZTBTFNN-MJBXVCDLSA-N 0 2 304.371 1.428 20 30 DDEDLN CC[C@@](C)(C#N)C(=O)N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000923110500 714239834 /nfs/dbraw/zinc/23/98/34/714239834.db2.gz AWNPSJJDGUDKCH-INIZCTEOSA-N 0 2 316.361 1.368 20 30 DDEDLN CCCCO[C@H]1C[C@@H](Nc2[nH]c(=O)n(C)c(=O)c2C#N)C1(C)C ZINC001120901137 782220912 /nfs/dbraw/zinc/22/09/12/782220912.db2.gz ICHOJZPMGBWIIZ-NEPJUHHUSA-N 0 2 320.393 1.341 20 30 DDEDLN N#C[C@@H]1CN(C(=O)Nc2cc(F)cc3c2OCOC3)CCC1=O ZINC001188852135 744783817 /nfs/dbraw/zinc/78/38/17/744783817.db2.gz KIYMLJHOCNHLCW-SNVBAGLBSA-N 0 2 319.292 1.639 20 30 DDEDLN C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188908510 744792841 /nfs/dbraw/zinc/79/28/41/744792841.db2.gz GFOGZGGIXKKCEP-FRRDWIJNSA-N 0 2 319.409 1.145 20 30 DDEDLN C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21 ZINC001188908510 744792842 /nfs/dbraw/zinc/79/28/42/744792842.db2.gz GFOGZGGIXKKCEP-FRRDWIJNSA-N 0 2 319.409 1.145 20 30 DDEDLN C[C@@H](CCNc1nccnc1C#N)NC(=O)C(F)C(F)(F)F ZINC001106604004 745827754 /nfs/dbraw/zinc/82/77/54/745827754.db2.gz UIVNMOURNDYSMC-CBAPKCEASA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNc1nccnc1C#N)NC(=O)[C@H](F)C(F)(F)F ZINC001106604004 745827758 /nfs/dbraw/zinc/82/77/58/745827758.db2.gz UIVNMOURNDYSMC-CBAPKCEASA-N 0 2 319.262 1.555 20 30 DDEDLN COC(=O)C1(C#N)CCN(C(=O)c2ccc(F)c(F)c2O)CC1 ZINC001192806972 745900047 /nfs/dbraw/zinc/90/00/47/745900047.db2.gz OIWJQVFMWPGETJ-UHFFFAOYSA-N 0 2 324.283 1.589 20 30 DDEDLN COC(=O)CCCS(=O)(=O)Nc1c(C)ccc(C)c1C#N ZINC001201915808 748640485 /nfs/dbraw/zinc/64/04/85/748640485.db2.gz GJLXAFVYNWAJPA-UHFFFAOYSA-N 0 2 310.375 1.870 20 30 DDEDLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1[O-] ZINC001010619907 754057564 /nfs/dbraw/zinc/05/75/64/754057564.db2.gz KDIHOIAZHAPMAC-OAHLLOKOSA-N 0 2 324.384 1.280 20 30 DDEDLN Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1[O-] ZINC001010619907 754057572 /nfs/dbraw/zinc/05/75/72/754057572.db2.gz KDIHOIAZHAPMAC-OAHLLOKOSA-N 0 2 324.384 1.280 20 30 DDEDLN CCOC(=O)[C@H](C#N)Nc1nc2nc[nH]c2c(C(F)(F)F)n1 ZINC001170367581 766267287 /nfs/dbraw/zinc/26/72/87/766267287.db2.gz FNBZFPVSQPVJRX-YFKPBYRVSA-N 0 2 314.227 1.190 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132060887 768596122 /nfs/dbraw/zinc/59/61/22/768596122.db2.gz MSWTVFNWNULCBD-NWDGAFQWSA-N 0 2 321.425 1.582 20 30 DDEDLN C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132060887 768596127 /nfs/dbraw/zinc/59/61/27/768596127.db2.gz MSWTVFNWNULCBD-NWDGAFQWSA-N 0 2 321.425 1.582 20 30 DDEDLN CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCc1[nH]cc[nH+]1 ZINC001049446066 770845119 /nfs/dbraw/zinc/84/51/19/770845119.db2.gz GRHVNUHMXOLCJB-CABCVRRESA-N 0 2 300.406 1.431 20 30 DDEDLN C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc(NC(C)C)cc[nH+]1 ZINC001171068234 772218911 /nfs/dbraw/zinc/21/89/11/772218911.db2.gz KJRSMLBETYTMAD-ZDUSSCGKSA-N 0 2 321.425 1.936 20 30 DDEDLN C=CCOc1cccnc1C(=O)N[C@H](C)c1nn(C)cc1O ZINC001179926736 779540599 /nfs/dbraw/zinc/54/05/99/779540599.db2.gz LCHWUCVHIXWRQY-SNVBAGLBSA-N 0 2 302.334 1.577 20 30 DDEDLN COCC#CCN1CC[C@@H]1CN(C)C(=O)C(F)C(F)(F)F ZINC001234425390 846352847 /nfs/dbraw/zinc/35/28/47/846352847.db2.gz MWBAEYCMHOLGFA-MNOVXSKESA-N 0 2 310.291 1.069 20 30 DDEDLN O=C(C(F)C(F)(F)F)N(CCC(F)(F)F)C[C@H](O)CO ZINC001411927967 853986254 /nfs/dbraw/zinc/98/62/54/853986254.db2.gz PAILVXHTGSBDTB-WDSKDSINSA-N 0 2 315.185 1.021 20 30 DDEDLN O=C([C@H](F)C(F)(F)F)N(CCC(F)(F)F)C[C@H](O)CO ZINC001411927967 853986261 /nfs/dbraw/zinc/98/62/61/853986261.db2.gz PAILVXHTGSBDTB-WDSKDSINSA-N 0 2 315.185 1.021 20 30 DDEDLN C[C@@H](NC(=O)C1(c2cccc(C#N)c2)CC1)c1nn(C)cc1O ZINC001412753388 855106667 /nfs/dbraw/zinc/10/66/67/855106667.db2.gz JMPBRXKAZDYTIC-LLVKDONJSA-N 0 2 310.357 1.906 20 30 DDEDLN C=CCN(C)c1nnc(-c2c[nH]n(CC)c2=O)n1CC1CC1 ZINC001123400208 859215497 /nfs/dbraw/zinc/21/54/97/859215497.db2.gz BOGGOLPNLZHFAK-UHFFFAOYSA-N 0 2 302.382 1.899 20 30 DDEDLN C#CCCCC(=O)NC[C@@H](C)CNC(=O)C(F)C(F)(F)F ZINC001297743786 870166808 /nfs/dbraw/zinc/16/68/08/870166808.db2.gz DPZOUTBGLIZBCI-MWLCHTKSSA-N 0 2 310.291 1.559 20 30 DDEDLN C#CCCCC(=O)NC[C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F ZINC001297743786 870166814 /nfs/dbraw/zinc/16/68/14/870166814.db2.gz DPZOUTBGLIZBCI-MWLCHTKSSA-N 0 2 310.291 1.559 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001276602215 874545469 /nfs/dbraw/zinc/54/54/69/874545469.db2.gz XEIGBFKNYQNQRW-LLVKDONJSA-N 0 2 321.425 1.439 20 30 DDEDLN C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)CC1(C)C ZINC001276602215 874545476 /nfs/dbraw/zinc/54/54/76/874545476.db2.gz XEIGBFKNYQNQRW-LLVKDONJSA-N 0 2 321.425 1.439 20 30 DDEDLN C=CCCCC(=O)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)C1 ZINC001352934578 877022937 /nfs/dbraw/zinc/02/29/37/877022937.db2.gz OTZZARNXUBIQKE-ONGXEEELSA-N 0 2 310.291 1.960 20 30 DDEDLN C=CCCCC(=O)N[C@H]1CCN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001352934578 877022949 /nfs/dbraw/zinc/02/29/49/877022949.db2.gz OTZZARNXUBIQKE-ONGXEEELSA-N 0 2 310.291 1.960 20 30 DDEDLN Cn1c(=O)[nH]c(NC2CC(C)(C)CC(C)(C)C2)c(C#N)c1=O ZINC001363145970 885578081 /nfs/dbraw/zinc/57/80/81/885578081.db2.gz ACCVNURUJLODHF-UHFFFAOYSA-N 0 2 304.394 1.962 20 30 DDEDLN CC(C)[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1 ZINC001363216378 885735043 /nfs/dbraw/zinc/73/50/43/885735043.db2.gz IQBWEWLCDNPODQ-ZDUSSCGKSA-N 0 2 301.350 1.163 20 30 DDEDLN CC(C)[C@@H]1C[N@@H+](Cc2cc(=O)n3[n-]cc(C#N)c3n2)CCO1 ZINC001363216378 885735050 /nfs/dbraw/zinc/73/50/50/885735050.db2.gz IQBWEWLCDNPODQ-ZDUSSCGKSA-N 0 2 301.350 1.163 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1(CCNC(=O)C(F)C(F)(F)F)CC1 ZINC001383884347 886689598 /nfs/dbraw/zinc/68/95/98/886689598.db2.gz GYJXXLYJAGKBGQ-DTWKUNHWSA-N 0 2 323.290 1.449 20 30 DDEDLN C[C@@H](C#N)C(=O)NCC1(CCNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001383884347 886689605 /nfs/dbraw/zinc/68/96/05/886689605.db2.gz GYJXXLYJAGKBGQ-DTWKUNHWSA-N 0 2 323.290 1.449 20 30 DDEDLN C[N+](C)(C)C[C@@H](CC#N)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234332229 887870239 /nfs/dbraw/zinc/87/02/39/887870239.db2.gz NNYMEYPUNLPLHQ-CYBMUJFWSA-O 0 2 315.286 1.525 20 30 DDEDLN C[N+](C)(C)C[C@@H](CC#N)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234332229 887870251 /nfs/dbraw/zinc/87/02/51/887870251.db2.gz NNYMEYPUNLPLHQ-CYBMUJFWSA-O 0 2 315.286 1.525 20 30 DDEDLN C[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(F)cc1F ZINC001365218186 890377268 /nfs/dbraw/zinc/37/72/68/890377268.db2.gz SXOUQOFMVLYLPN-QMMMGPOBSA-N 0 2 320.299 1.439 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccc2ccccc2c1 ZINC001250735177 894391615 /nfs/dbraw/zinc/39/16/15/894391615.db2.gz CFQKNFIAECYJBU-AWEZNQCLSA-N 0 2 318.354 1.573 20 30 DDEDLN CCOC(=O)[C@H](C#N)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001251752193 894799527 /nfs/dbraw/zinc/79/95/27/894799527.db2.gz HTPYWFJJTYIAEN-JTQLQIEISA-N 0 2 302.739 1.074 20 30 DDEDLN CC(C)C#CC(=O)NC[C@H]1C[C@@H](NC(=O)C(F)C(F)(F)F)C1 ZINC001282074050 905512721 /nfs/dbraw/zinc/51/27/21/905512721.db2.gz FOCSIGAQPNXMQT-JFGNBEQYSA-N 0 2 322.302 1.557 20 30 DDEDLN CC(C)C#CC(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)C1 ZINC001282074050 905512734 /nfs/dbraw/zinc/51/27/34/905512734.db2.gz FOCSIGAQPNXMQT-JFGNBEQYSA-N 0 2 322.302 1.557 20 30 DDEDLN CCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cc(C#N)cn2C)cn1 ZINC000328618947 231249975 /nfs/dbraw/zinc/24/99/75/231249975.db2.gz FGRHUNIBOQSIRH-DZGCQCFKSA-N 0 2 313.361 1.373 20 30 DDEDLN N#C[C@]1(F)CCN(C(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)C1 ZINC000615933000 362494276 /nfs/dbraw/zinc/49/42/76/362494276.db2.gz YYPUOPDKMLQORN-CQSZACIVSA-N 0 2 302.265 1.108 20 30 DDEDLN C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000063466383 352912804 /nfs/dbraw/zinc/91/28/04/352912804.db2.gz RGJVRIZGYNGILH-SSDOTTSWSA-N 0 2 304.310 1.005 20 30 DDEDLN CN1CC[C@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)CC1=O ZINC000329097147 222931494 /nfs/dbraw/zinc/93/14/94/222931494.db2.gz LMDRNBQXGQFAHD-JTQLQIEISA-N 0 2 315.333 1.634 20 30 DDEDLN N#Cc1cccc(N2CCN(c3[nH+]cccc3C(=O)[O-])CC2)n1 ZINC000592421982 355578369 /nfs/dbraw/zinc/57/83/69/355578369.db2.gz ZQKAKMBRZFGMCT-UHFFFAOYSA-N 0 2 309.329 1.373 20 30 DDEDLN CC[C@@H](C)C[C@H](CO)NC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000592875307 355727331 /nfs/dbraw/zinc/72/73/31/355727331.db2.gz SRYJJFKILHQNFW-MWLCHTKSSA-N 0 2 323.418 1.908 20 30 DDEDLN Cn1cnc(NS(=O)(=O)c2ccc(C(C)(C)C#N)cc2)n1 ZINC000593281155 355843978 /nfs/dbraw/zinc/84/39/78/355843978.db2.gz OQLCIAYFONZSOZ-UHFFFAOYSA-N 0 2 305.363 1.417 20 30 DDEDLN CC[C@H](CS(=O)(=O)Nc1n[nH]c2cc(C#N)c(C)cc21)OC ZINC000593287467 355846350 /nfs/dbraw/zinc/84/63/50/355846350.db2.gz NFFQXSPNMKQQKM-LLVKDONJSA-N 0 2 322.390 1.910 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H]2[C@H](C)O)cc1C#N ZINC000598235731 357503009 /nfs/dbraw/zinc/50/30/09/357503009.db2.gz GUXSGTGSSINCPT-GZMMTYOYSA-N 0 2 307.375 1.366 20 30 DDEDLN CCN(C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1)[C@@H](C)C#N ZINC000598357597 357551742 /nfs/dbraw/zinc/55/17/42/357551742.db2.gz AGHVXTHSVPKPDB-QMMMGPOBSA-N 0 2 301.306 1.119 20 30 DDEDLN CCOc1cccc(NS(=O)(=O)c2ccc(C#N)nc2)n1 ZINC000610483440 360447539 /nfs/dbraw/zinc/44/75/39/360447539.db2.gz FGKXAHNACJKFEF-UHFFFAOYSA-N 0 2 304.331 1.548 20 30 DDEDLN CC[C@@H](O)CCCNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000352384397 269676104 /nfs/dbraw/zinc/67/61/04/269676104.db2.gz XIUCWLZQBFZVPU-SNVBAGLBSA-N 0 2 309.391 1.662 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCO[C@H](C(C)C)C2)cc1C#N ZINC000330743960 533077069 /nfs/dbraw/zinc/07/70/69/533077069.db2.gz RSPKAUAWEYYNBO-LBPRGKRZSA-N 0 2 321.402 1.878 20 30 DDEDLN C=CCCOCCNC(=O)C1=NN(c2ccccc2)CC1=O ZINC000155213587 197032823 /nfs/dbraw/zinc/03/28/23/197032823.db2.gz KRBVVCYYKVTQLN-UHFFFAOYSA-N 0 2 301.346 1.900 20 30 DDEDLN COCC1(C#N)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000436729898 292207865 /nfs/dbraw/zinc/20/78/65/292207865.db2.gz UHTXQJIGBRSMAE-UHFFFAOYSA-N 0 2 319.317 1.693 20 30 DDEDLN Cc1csc(C(C#N)C(=O)Cn2cc([N+](=O)[O-])c(C)n2)n1 ZINC000273065895 408040167 /nfs/dbraw/zinc/04/01/67/408040167.db2.gz CKNVAOORTUAUIP-SECBINFHSA-N 0 2 305.319 1.741 20 30 DDEDLN Cn1nccc1S(=O)(=O)Nc1cccc(OCCCC#N)c1 ZINC000263839682 408282111 /nfs/dbraw/zinc/28/21/11/408282111.db2.gz HYQQHKNDLCWZRP-UHFFFAOYSA-N 0 2 320.374 1.903 20 30 DDEDLN Cc1ccc(C#N)cc1S(=O)(=O)N[C@H](CO)C1CCCC1 ZINC000289455227 409277055 /nfs/dbraw/zinc/27/70/55/409277055.db2.gz GHTYARMDKCOMPU-CQSZACIVSA-N 0 2 308.403 1.696 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2ccnn2C)cc1C#N ZINC000349804046 409908224 /nfs/dbraw/zinc/90/82/24/409908224.db2.gz UKSVRBJDNGLEGW-UHFFFAOYSA-N 0 2 303.347 1.044 20 30 DDEDLN N#Cc1ccncc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000342760959 409882783 /nfs/dbraw/zinc/88/27/83/409882783.db2.gz QYQKSHUIFWZFJD-UHFFFAOYSA-N 0 2 308.326 1.541 20 30 DDEDLN Cc1cc(=NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[nH]n1CCC#N ZINC000350621482 409973922 /nfs/dbraw/zinc/97/39/22/409973922.db2.gz RWQVQBVCQDRRGZ-UHFFFAOYSA-N 0 2 315.289 1.971 20 30 DDEDLN CNc1ccc(C#N)cc1NS(=O)(=O)c1cncc(F)c1 ZINC000350971830 410022305 /nfs/dbraw/zinc/02/23/05/410022305.db2.gz OLESLNNTDCCWRA-UHFFFAOYSA-N 0 2 306.322 1.935 20 30 DDEDLN COCc1cnc(NS(=O)(=O)c2ccc(C#N)nc2)s1 ZINC000351181050 410043753 /nfs/dbraw/zinc/04/37/53/410043753.db2.gz VHSAJMPLMWPNTD-UHFFFAOYSA-N 0 2 310.360 1.357 20 30 DDEDLN N#C[C@@H]1CN(C(=O)c2cc(F)c(O)c(Cl)c2)CCN1C1CC1 ZINC000373077762 418926774 /nfs/dbraw/zinc/92/67/74/418926774.db2.gz CZDRKLREKCREMM-LLVKDONJSA-N 0 2 323.755 1.997 20 30 DDEDLN Cc1[nH]ncc1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000439200819 229698908 /nfs/dbraw/zinc/69/89/08/229698908.db2.gz RWUQVCMNTDXYDR-UHFFFAOYSA-N 0 2 308.338 1.349 20 30 DDEDLN N#Cc1cccc(CCNS(=O)(=O)NCC(F)(F)F)c1 ZINC000443211259 420750297 /nfs/dbraw/zinc/75/02/97/420750297.db2.gz KBRNTHLHYCWEMZ-UHFFFAOYSA-N 0 2 307.297 1.087 20 30 DDEDLN CCCN(CC(=O)OC)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000351229796 266044648 /nfs/dbraw/zinc/04/46/48/266044648.db2.gz XTGGGPYXYJNUKE-UHFFFAOYSA-N 0 2 323.374 1.406 20 30 DDEDLN Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000563193525 307960003 /nfs/dbraw/zinc/96/00/03/307960003.db2.gz RJPTZSMEPLHXTG-VIFPVBQESA-N 0 2 300.322 1.038 20 30 DDEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)c3ccc(C(N)=O)o3)nc21 ZINC000437386729 338308584 /nfs/dbraw/zinc/30/85/84/338308584.db2.gz PZLHHGQZTPVIOO-QMMMGPOBSA-N 0 2 309.285 1.448 20 30 DDEDLN C#C[C@H]1COCCN1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000491523012 527417863 /nfs/dbraw/zinc/41/78/63/527417863.db2.gz AZHLQWKHCLZLOG-JTQLQIEISA-N 0 2 320.399 1.554 20 30 DDEDLN N#CCn1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)cn1 ZINC000747406898 700068588 /nfs/dbraw/zinc/06/85/88/700068588.db2.gz MIBRFUQMHKLAMJ-UHFFFAOYSA-N 0 2 316.264 1.625 20 30 DDEDLN Cn1cc(/C=C/C(=O)c2ccc(O)c(Cl)c2)c(=O)n(C)c1=O ZINC000119268662 696678732 /nfs/dbraw/zinc/67/87/32/696678732.db2.gz ZYJIUQQKOKOYMO-SNAWJCMRSA-N 0 2 320.732 1.339 20 30 DDEDLN N#Cc1ccc(O)c(NS(=O)(=O)c2cc(Cl)cnc2N)c1 ZINC000164791665 697337414 /nfs/dbraw/zinc/33/74/14/697337414.db2.gz KRONMZNPRFMWCI-UHFFFAOYSA-N 0 2 324.749 1.695 20 30 DDEDLN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C(F)F)C1=O ZINC000194361689 697706652 /nfs/dbraw/zinc/70/66/52/697706652.db2.gz LWJQDTDJSYJFFZ-ZDUSSCGKSA-N 0 2 305.325 1.954 20 30 DDEDLN O=C1Nc2cccc(Cl)c2C1=NNc1ncnc2nc[nH]c21 ZINC000750935073 700258960 /nfs/dbraw/zinc/25/89/60/700258960.db2.gz VBSXOBKRRIGSMZ-UHFFFAOYSA-N 0 2 313.708 1.775 20 30 DDEDLN C#CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)CCC[C@@H]12 ZINC000991468047 699330366 /nfs/dbraw/zinc/33/03/66/699330366.db2.gz BEKLXFLWSRMPED-QGPMSJSTSA-N 0 2 312.417 1.192 20 30 DDEDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC000734416119 699649860 /nfs/dbraw/zinc/64/98/60/699649860.db2.gz MGRLJHAFHSYXRD-UHFFFAOYSA-N 0 2 322.394 1.602 20 30 DDEDLN C#CC[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)c1ccccc1 ZINC000757620739 700666302 /nfs/dbraw/zinc/66/63/02/700666302.db2.gz DABIOZUUNIRMNH-NWDGAFQWSA-N 0 2 301.371 1.424 20 30 DDEDLN N#CC(C(=O)[C@H]1CCCN1C(=O)c1ccccc1)c1ccncn1 ZINC000760339107 700803173 /nfs/dbraw/zinc/80/31/73/700803173.db2.gz IEMMFEAQFUWANX-GDBMZVCRSA-N 0 2 320.352 1.958 20 30 DDEDLN O=c1cn[nH]c(=S)n1N=Cc1cc(Cl)cc(Cl)c1O ZINC000766484130 701053575 /nfs/dbraw/zinc/05/35/75/701053575.db2.gz LFENDUDHRUYBFI-UHFFFAOYSA-N 0 2 317.157 1.822 20 30 DDEDLN Cc1nc(Cl)ccc1S(=O)(=O)Nc1cnn(CC#N)c1 ZINC000808086182 701496880 /nfs/dbraw/zinc/49/68/80/701496880.db2.gz UCMDRIDWPGRBBS-UHFFFAOYSA-N 0 2 311.754 1.564 20 30 DDEDLN Cn1ncc2c1nc(N=NC1CCCC[C@H]1CCCO)[nH]c2=O ZINC000814848339 701758740 /nfs/dbraw/zinc/75/87/40/701758740.db2.gz SLEJXLSVIOHWFK-JTQLQIEISA-N 0 2 318.381 1.800 20 30 DDEDLN Cc1csc([C@@H](C#N)C(=O)[C@@H]2CCc3nnn(C)c3C2)n1 ZINC000810519830 701782215 /nfs/dbraw/zinc/78/22/15/701782215.db2.gz MJPSXAARWPPSCQ-ZJUUUORDSA-N 0 2 301.375 1.561 20 30 DDEDLN O=C(NCCOCC(F)(F)C(F)F)C(F)C(F)(F)F ZINC000811460004 701990547 /nfs/dbraw/zinc/99/05/47/701990547.db2.gz VFVMVHRKVZDLCQ-BYPYZUCNSA-N 0 2 303.149 1.920 20 30 DDEDLN O=C(NCCOCC(F)(F)C(F)F)[C@H](F)C(F)(F)F ZINC000811460004 701990551 /nfs/dbraw/zinc/99/05/51/701990551.db2.gz VFVMVHRKVZDLCQ-BYPYZUCNSA-N 0 2 303.149 1.920 20 30 DDEDLN C[C@H](Oc1ccc(C=NNCCCn2cc[nH+]c2)cc1)C(=O)[O-] ZINC000848417040 703548281 /nfs/dbraw/zinc/54/82/81/703548281.db2.gz IQAUWMDVPJGVJI-ZDUSSCGKSA-N 0 2 316.361 1.749 20 30 DDEDLN CC(C)(NC(=O)C[C@H]1SC(=N)NC1=O)c1cccc(C#N)c1 ZINC000855362988 704481079 /nfs/dbraw/zinc/48/10/79/704481079.db2.gz UQSPTVMCEGTMRF-LLVKDONJSA-N 0 2 316.386 1.466 20 30 DDEDLN C#C[C@H](NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)C(C)C ZINC000861514492 705489899 /nfs/dbraw/zinc/48/98/99/705489899.db2.gz QFJVVDLMPUFNEZ-JTQLQIEISA-N 0 2 316.279 1.846 20 30 DDEDLN C[C@H](CNC(=O)C(F)C(F)(F)F)CNc1cnc(C#N)cn1 ZINC001104237416 732738245 /nfs/dbraw/zinc/73/82/45/732738245.db2.gz XUDPQHBLCAPPRR-OIBJUYFYSA-N 0 2 319.262 1.413 20 30 DDEDLN C[C@H](CNC(=O)[C@@H](F)C(F)(F)F)CNc1cnc(C#N)cn1 ZINC001104237416 732738247 /nfs/dbraw/zinc/73/82/47/732738247.db2.gz XUDPQHBLCAPPRR-OIBJUYFYSA-N 0 2 319.262 1.413 20 30 DDEDLN C=C(Cl)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1nnc[nH]1 ZINC001087308553 736033239 /nfs/dbraw/zinc/03/32/39/736033239.db2.gz SEXYOOMHPMNSMM-GRYCIOLGSA-N 0 2 323.828 1.776 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1ccnc(C#N)n1 ZINC001100747812 736760320 /nfs/dbraw/zinc/76/03/20/736760320.db2.gz DVZPJQZCTYWWKJ-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN CCN(CCNC(=O)[C@@H](F)C(F)(F)F)c1ccnc(C#N)n1 ZINC001100747812 736760321 /nfs/dbraw/zinc/76/03/21/736760321.db2.gz DVZPJQZCTYWWKJ-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001027459811 738311831 /nfs/dbraw/zinc/31/18/31/738311831.db2.gz CBVRZGRDWKBIAU-HNNXBMFYSA-N 0 2 302.422 1.483 20 30 DDEDLN C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001075966298 742288281 /nfs/dbraw/zinc/28/82/81/742288281.db2.gz XDUXXNBOIRPPML-ARFHVFGLSA-N 0 2 314.433 1.554 20 30 DDEDLN COc1nn(C)cc1C(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1 ZINC001184482053 744052217 /nfs/dbraw/zinc/05/22/17/744052217.db2.gz HAXIMODUFRAQQI-UHFFFAOYSA-N 0 2 323.316 1.338 20 30 DDEDLN CCOCCS(=O)(=O)Nc1c(C#N)cnn1C(C)(C)C ZINC001187244168 744524216 /nfs/dbraw/zinc/52/42/16/744524216.db2.gz YNTXZAZPLMBUMO-UHFFFAOYSA-N 0 2 300.384 1.288 20 30 DDEDLN C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)Cc3nnc[nH]3)CCC[C@H]12 ZINC000992399610 744854967 /nfs/dbraw/zinc/85/49/67/744854967.db2.gz CLJBYIIZRVMDSV-SMDDNHRTSA-N 0 2 309.801 1.213 20 30 DDEDLN COc1cc(NS(=O)(=O)CC#N)cnc1Br ZINC001192939617 745940081 /nfs/dbraw/zinc/94/00/81/745940081.db2.gz UYDPWBCANRHLCM-UHFFFAOYSA-N 0 2 306.141 1.118 20 30 DDEDLN Cc1cccc(NS(=O)(=O)CC#N)c1N1CCCCC1=O ZINC001192981967 745940679 /nfs/dbraw/zinc/94/06/79/745940679.db2.gz BJNLAUJIRNUPLA-UHFFFAOYSA-N 0 2 307.375 1.777 20 30 DDEDLN COC(=O)c1cccc2c(NS(=O)(=O)[C@H](C)C#N)ccnc12 ZINC001193112439 745982408 /nfs/dbraw/zinc/98/24/08/745982408.db2.gz TZBDSPUQDXEYGY-SECBINFHSA-N 0 2 319.342 1.675 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2n[nH]c(-c3ccncc3)n2)c1O ZINC001193635155 746156355 /nfs/dbraw/zinc/15/63/55/746156355.db2.gz PJODWBXQRMYZCQ-UHFFFAOYSA-N 0 2 306.285 1.696 20 30 DDEDLN Cc1nc[nH]c1CSCCNC(=O)c1cccc(C#N)c1O ZINC001193657999 746168836 /nfs/dbraw/zinc/16/88/36/746168836.db2.gz PHLZILDDIWLLTD-UHFFFAOYSA-N 0 2 316.386 1.959 20 30 DDEDLN N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CO)nc1 ZINC001196649885 746922361 /nfs/dbraw/zinc/92/23/61/746922361.db2.gz BSGBZDIPSOOPSE-UHFFFAOYSA-N 0 2 323.761 1.900 20 30 DDEDLN COc1cccc(CS(=O)(=O)Nc2cncc(C#N)n2)c1 ZINC001197347244 747134070 /nfs/dbraw/zinc/13/40/70/747134070.db2.gz QGRAWJUQGBOVIG-UHFFFAOYSA-N 0 2 304.331 1.299 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cnc(C#N)cn2)c(C)c1 ZINC001198896744 747638372 /nfs/dbraw/zinc/63/83/72/747638372.db2.gz YHCORJAWGZBHHE-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN O=C(C#CC1CC1)NC1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC001063307565 754079149 /nfs/dbraw/zinc/07/91/49/754079149.db2.gz WATLFAYUWZINDB-LLVKDONJSA-N 0 2 320.286 1.455 20 30 DDEDLN O=C(C#CC1CC1)NC1(CNC(=O)[C@@H](F)C(F)(F)F)CCC1 ZINC001063307565 754079162 /nfs/dbraw/zinc/07/91/62/754079162.db2.gz WATLFAYUWZINDB-LLVKDONJSA-N 0 2 320.286 1.455 20 30 DDEDLN C#CCCCC(=O)N(CC)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001079685839 755524530 /nfs/dbraw/zinc/52/45/30/755524530.db2.gz TVUDZQHHVOWXFK-GFCCVEGCSA-N 0 2 322.302 1.750 20 30 DDEDLN C#CCCCC(=O)N(CC)C1CN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC001079685839 755524531 /nfs/dbraw/zinc/52/45/31/755524531.db2.gz TVUDZQHHVOWXFK-GFCCVEGCSA-N 0 2 322.302 1.750 20 30 DDEDLN C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)C(F)C(F)(F)F ZINC001109274398 763536543 /nfs/dbraw/zinc/53/65/43/763536543.db2.gz DXOAEQXERPLFSU-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN C[C@H](CN(C)c1ccnc(C#N)n1)NC(=O)[C@@H](F)C(F)(F)F ZINC001109274398 763536551 /nfs/dbraw/zinc/53/65/51/763536551.db2.gz DXOAEQXERPLFSU-GMSGAONNSA-N 0 2 319.262 1.190 20 30 DDEDLN CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132234883 768688409 /nfs/dbraw/zinc/68/84/09/768688409.db2.gz GTWFTYWVHQBASY-CHWSQXEVSA-N 0 2 319.409 1.173 20 30 DDEDLN CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2n[nH]c(=O)[n-]2)C1 ZINC001132234883 768688410 /nfs/dbraw/zinc/68/84/10/768688410.db2.gz GTWFTYWVHQBASY-CHWSQXEVSA-N 0 2 319.409 1.173 20 30 DDEDLN C#CC[NH2+][C@H](C)c1ccc(CNC(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001272690713 846630946 /nfs/dbraw/zinc/63/09/46/846630946.db2.gz CQTDGQGFSKIVND-CQSZACIVSA-N 0 2 310.401 1.943 20 30 DDEDLN C=CCN(c1nnc(-c2n[nH]c(Cl)n2)n1CCOC)C1CC1 ZINC001122440941 858814033 /nfs/dbraw/zinc/81/40/33/858814033.db2.gz HZSINDZRTUTFNY-UHFFFAOYSA-N 0 2 323.788 1.518 20 30 DDEDLN N#Cc1cscc1C(=O)Nc1ccc(O)c(S(N)(=O)=O)c1 ZINC001153032795 863668411 /nfs/dbraw/zinc/66/84/11/863668411.db2.gz MPVSTONBJRUJRA-UHFFFAOYSA-N 0 2 323.355 1.225 20 30 DDEDLN C=CC1(S(=O)(=O)[N-]C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001335787184 868534932 /nfs/dbraw/zinc/53/49/32/868534932.db2.gz FUTQNEBGHORDJV-UHFFFAOYSA-N 0 2 308.403 1.283 20 30 DDEDLN C=CC1(S(=O)(=O)[N-]C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001335787184 868534944 /nfs/dbraw/zinc/53/49/44/868534944.db2.gz FUTQNEBGHORDJV-UHFFFAOYSA-N 0 2 308.403 1.283 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001339499978 870528693 /nfs/dbraw/zinc/52/86/93/870528693.db2.gz LLJKTAHWMAHQBB-WPRPVWTQSA-N 0 2 321.274 1.321 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CC=C(CNC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001339499978 870528704 /nfs/dbraw/zinc/52/87/04/870528704.db2.gz LLJKTAHWMAHQBB-WPRPVWTQSA-N 0 2 321.274 1.321 20 30 DDEDLN N#CCN1CC[C@H](Oc2ncnc3[nH]nc(Br)c32)C1 ZINC001226669807 882576774 /nfs/dbraw/zinc/57/67/74/882576774.db2.gz UOXDOEZXMPSSRA-ZETCQYMHSA-N 0 2 323.154 1.092 20 30 DDEDLN C=CCCC1(C(=O)N[C@@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CC1 ZINC001208500608 874197542 /nfs/dbraw/zinc/19/75/42/874197542.db2.gz VGGJJGRHVJUJPH-VXGBXAGGSA-N 0 2 319.409 1.193 20 30 DDEDLN C=CCCC1(C(=O)N[C@@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CC1 ZINC001208500608 874197549 /nfs/dbraw/zinc/19/75/49/874197549.db2.gz VGGJJGRHVJUJPH-VXGBXAGGSA-N 0 2 319.409 1.193 20 30 DDEDLN C=CCC1(C(=O)N[C@@H]2C[N@@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CCC1 ZINC001208517360 874213834 /nfs/dbraw/zinc/21/38/34/874213834.db2.gz GOXAWVDIUNRQDF-VXGBXAGGSA-N 0 2 319.409 1.193 20 30 DDEDLN C=CCC1(C(=O)N[C@@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]2C)CCC1 ZINC001208517360 874213842 /nfs/dbraw/zinc/21/38/42/874213842.db2.gz GOXAWVDIUNRQDF-VXGBXAGGSA-N 0 2 319.409 1.193 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H](C)CNC(=O)[C@H](F)C(F)(F)F)C1 ZINC001354458886 877995977 /nfs/dbraw/zinc/99/59/77/877995977.db2.gz KGUSGRZTSXHGRG-IUCAKERBSA-N 0 2 310.291 1.864 20 30 DDEDLN C=C1CC(C)(C(=O)N[C@@H](C)CNC(=O)C(F)C(F)(F)F)C1 ZINC001354458886 877995964 /nfs/dbraw/zinc/99/59/64/877995964.db2.gz KGUSGRZTSXHGRG-IUCAKERBSA-N 0 2 310.291 1.864 20 30 DDEDLN CSc1[n-]c(=O)c(C(=O)NCc2[nH]c(C)c(C)[nH+]2)cc1C#N ZINC001362215808 883321638 /nfs/dbraw/zinc/32/16/38/883321638.db2.gz LDTOGXAAMYCOLM-UHFFFAOYSA-N 0 2 317.374 1.651 20 30 DDEDLN N#Cc1sccc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001362387763 883695249 /nfs/dbraw/zinc/69/52/49/883695249.db2.gz VCXRTHWHGJRWPC-MRVPVSSYSA-N 0 2 303.347 1.463 20 30 DDEDLN COC(=O)c1ccc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)cn1 ZINC001362694860 884429827 /nfs/dbraw/zinc/42/98/27/884429827.db2.gz HGDLQXSUHLLVFK-UHFFFAOYSA-N 0 2 312.285 1.401 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc2c(c1)CCNC2=O ZINC001363051608 885336405 /nfs/dbraw/zinc/33/64/05/885336405.db2.gz ABKYOPMKDHFGLH-UHFFFAOYSA-N 0 2 322.324 1.506 20 30 DDEDLN CCN(C(=O)C(F)C(F)(F)F)[C@H](C)CNC(=O)C#CC1CC1 ZINC001288617361 913004946 /nfs/dbraw/zinc/00/49/46/913004946.db2.gz DJKPSTHEFLULQZ-SKDRFNHKSA-N 0 2 322.302 1.653 20 30 DDEDLN CCN(C(=O)[C@H](F)C(F)(F)F)[C@H](C)CNC(=O)C#CC1CC1 ZINC001288617361 913004968 /nfs/dbraw/zinc/00/49/68/913004968.db2.gz DJKPSTHEFLULQZ-SKDRFNHKSA-N 0 2 322.302 1.653 20 30 DDEDLN C[NH+]1CCN(C2CC[NH+](Cc3ccc(C#N)cc3O)CC2)CC1 ZINC001233385722 886967427 /nfs/dbraw/zinc/96/74/27/886967427.db2.gz RPFOBFRESHVUFB-UHFFFAOYSA-N 0 2 314.433 1.476 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccncc1OC(C)C ZINC001364421091 888600026 /nfs/dbraw/zinc/60/00/26/888600026.db2.gz KALSSKRKIGVMJG-UHFFFAOYSA-N 0 2 312.329 1.824 20 30 DDEDLN N#Cc1ccsc1NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC001365513317 890955617 /nfs/dbraw/zinc/95/56/17/890955617.db2.gz IHFYONHFOMKUMI-SECBINFHSA-N 0 2 318.362 1.855 20 30 DDEDLN C[C@H](C#N)C(=O)NCCN(C(=O)C(F)C(F)(F)F)C1CC1 ZINC001388679118 895679461 /nfs/dbraw/zinc/67/94/61/895679461.db2.gz SJVQKOSUZDTAFQ-APPZFPTMSA-N 0 2 309.263 1.154 20 30 DDEDLN C[C@H](C#N)C(=O)NCCN(C(=O)[C@H](F)C(F)(F)F)C1CC1 ZINC001388679118 895679469 /nfs/dbraw/zinc/67/94/69/895679469.db2.gz SJVQKOSUZDTAFQ-APPZFPTMSA-N 0 2 309.263 1.154 20 30 DDEDLN C#Cc1ccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)cn1 ZINC001258369313 898158630 /nfs/dbraw/zinc/15/86/30/898158630.db2.gz COLHEWCTHZMHFP-UHFFFAOYSA-N 0 2 310.766 1.559 20 30 DDEDLN Cn1ncc(NS(=O)(=O)c2ccc(C#N)cc2Cl)c1C#N ZINC001259107933 898474307 /nfs/dbraw/zinc/47/43/07/898474307.db2.gz ZGJKMRVKLFSUOQ-UHFFFAOYSA-N 0 2 321.749 1.618 20 30 DDEDLN Cn1cnc(NS(=O)(=O)CCc2ccc(F)cc2)c1C#N ZINC001259755655 898782258 /nfs/dbraw/zinc/78/22/58/898782258.db2.gz YNWRLVRXMTXEGT-UHFFFAOYSA-N 0 2 308.338 1.415 20 30 DDEDLN C=CCS(=O)(=O)Nc1ncc(Br)nc1OC ZINC001259922714 898935057 /nfs/dbraw/zinc/93/50/57/898935057.db2.gz SHRORCCZAYCACO-UHFFFAOYSA-N 0 2 308.157 1.175 20 30 DDEDLN Cn1cnc(NS(=O)(=O)Cc2ccc(C#N)cc2)c1C#N ZINC001260038994 899022192 /nfs/dbraw/zinc/02/21/92/899022192.db2.gz JEAQWMWCGLLFCP-UHFFFAOYSA-N 0 2 301.331 1.105 20 30 DDEDLN CC[C@H](NC(=O)c1cc(C#N)c(SC)[n-]c1=O)c1[nH]cc[nH+]1 ZINC000442804666 529557909 /nfs/dbraw/zinc/55/79/09/529557909.db2.gz XENKCYGJCXNPJQ-JTQLQIEISA-N 0 2 317.374 1.985 20 30 DDEDLN C/N=C1\NC(=O)C(CC(=O)Nc2cccc([N+](=O)[O-])c2)S1 ZINC000021883911 352175107 /nfs/dbraw/zinc/17/51/07/352175107.db2.gz ZEHDLAGHJRQVNO-SECBINFHSA-N 0 2 308.319 1.141 20 30 DDEDLN C/N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)S1 ZINC000021883911 352175108 /nfs/dbraw/zinc/17/51/08/352175108.db2.gz ZEHDLAGHJRQVNO-SECBINFHSA-N 0 2 308.319 1.141 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NCc2ccccn2)cc1C#N ZINC000027606848 352220567 /nfs/dbraw/zinc/22/05/67/352220567.db2.gz GOXARSIVYYYHME-UHFFFAOYSA-N 0 2 300.343 1.706 20 30 DDEDLN COc1ccc2ncc(C#N)c(NCCCc3n[nH]c(=O)[nH]3)c2c1 ZINC000591917703 355429178 /nfs/dbraw/zinc/42/91/78/355429178.db2.gz AZUVNRVABPXJKR-UHFFFAOYSA-N 0 2 324.344 1.405 20 30 DDEDLN Cc1oc(C#N)cc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000592797164 355695567 /nfs/dbraw/zinc/69/55/67/355695567.db2.gz VSNPBRBTSKPQMV-SECBINFHSA-N 0 2 301.306 1.303 20 30 DDEDLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@H](C#N)CO)=N2)c1 ZINC000597738143 357311364 /nfs/dbraw/zinc/31/13/64/357311364.db2.gz PQXHZAZZXGFVEL-GFCCVEGCSA-N 0 2 314.345 1.316 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)N3CC(CC#N)C3)=N2)cc1 ZINC000598034291 357434797 /nfs/dbraw/zinc/43/47/97/357434797.db2.gz QAIVCXPYSUTCLX-UHFFFAOYSA-N 0 2 312.329 1.572 20 30 DDEDLN C[C@](C#N)(NC(=O)CN1CCCC[C@H]1c1n[nH]c(=O)[nH]1)C1CC1 ZINC000329608604 223001300 /nfs/dbraw/zinc/00/13/00/223001300.db2.gz QWELDQHRTHQVLP-XHDPSFHLSA-N 0 2 318.381 1.686 20 30 DDEDLN C=CCOCCCNC(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000618525828 363660433 /nfs/dbraw/zinc/66/04/33/363660433.db2.gz HMAWFWAGZAXVRB-UHFFFAOYSA-N 0 2 303.366 1.616 20 30 DDEDLN CC(C)Oc1ccc(NC(=O)NCc2n[nH]c(=O)[nH]2)cc1C#N ZINC000157725708 248309764 /nfs/dbraw/zinc/30/97/64/248309764.db2.gz DGBBGSZNEPAYMQ-UHFFFAOYSA-N 0 2 316.321 1.079 20 30 DDEDLN N#Cc1nc(NC(=O)c2ccn(-c3cccc(F)c3)n2)[nH]c1C#N ZINC000063092688 184270265 /nfs/dbraw/zinc/27/02/65/184270265.db2.gz FUKIVLCRTBLOLG-UHFFFAOYSA-N 0 2 321.275 1.730 20 30 DDEDLN COC(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)s1 ZINC000031287898 406938562 /nfs/dbraw/zinc/93/85/62/406938562.db2.gz AIUOFOCCMWQPIT-UHFFFAOYSA-N 0 2 301.287 1.253 20 30 DDEDLN Cc1csc([C@H](C#N)C(=O)c2sccc2-n2cnnn2)n1 ZINC000048789054 407108046 /nfs/dbraw/zinc/10/80/46/407108046.db2.gz PAEJPYYXDJYJAI-MRVPVSSYSA-N 0 2 316.371 1.979 20 30 DDEDLN Cc1csc(C(C#N)C(=O)c2sccc2-n2cnnn2)n1 ZINC000048789054 407108047 /nfs/dbraw/zinc/10/80/47/407108047.db2.gz PAEJPYYXDJYJAI-MRVPVSSYSA-N 0 2 316.371 1.979 20 30 DDEDLN CC[C@@H]1COCCN1C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000086335549 407110870 /nfs/dbraw/zinc/11/08/70/407110870.db2.gz WTELZEKDUXFYPW-SNVBAGLBSA-N 0 2 307.375 1.632 20 30 DDEDLN N#Cc1nc(NC(=O)Cc2c[nH]c3ccc(F)cc23)[nH]c1C#N ZINC000115709209 407703666 /nfs/dbraw/zinc/70/36/66/407703666.db2.gz LLRKZOFVWPXQJC-UHFFFAOYSA-N 0 2 308.276 1.955 20 30 DDEDLN N#Cc1nc(NC(=O)Cc2ccccc2OC(F)F)[nH]c1C#N ZINC000118493434 407919811 /nfs/dbraw/zinc/91/98/11/407919811.db2.gz GNKPFGOENRFKKV-UHFFFAOYSA-N 0 2 317.255 1.936 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nncs2)cc1Cl ZINC000153862159 407920930 /nfs/dbraw/zinc/92/09/30/407920930.db2.gz KTBKOWLWVOWABT-UHFFFAOYSA-N 0 2 300.752 1.864 20 30 DDEDLN CO[C@@]1(C)C[C@H](NS(=O)(=O)c2cncc(C#N)c2)C1(C)C ZINC000289457008 409276435 /nfs/dbraw/zinc/27/64/35/409276435.db2.gz LOXUZRGBSDYEBV-JSGCOSHPSA-N 0 2 309.391 1.435 20 30 DDEDLN CCc1oncc1NS(=O)(=O)c1ccc(C#N)cc1OC ZINC000337862084 409518836 /nfs/dbraw/zinc/51/88/36/409518836.db2.gz MVQUMVGIIOVSKT-UHFFFAOYSA-N 0 2 307.331 1.918 20 30 DDEDLN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(C#N)cc2)n1 ZINC000342445785 409637386 /nfs/dbraw/zinc/63/73/86/409637386.db2.gz JLOWUBVQNAMJRZ-UHFFFAOYSA-N 0 2 305.363 1.706 20 30 DDEDLN Cc1[nH]c(C#N)cc1C(=O)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000331498862 409577650 /nfs/dbraw/zinc/57/76/50/409577650.db2.gz BGKIEQFFFFTSAE-LLVKDONJSA-N 0 2 300.322 1.386 20 30 DDEDLN CO[C@@H]1CCC[C@@H]1CNC(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000342560730 409722802 /nfs/dbraw/zinc/72/28/02/409722802.db2.gz GBUNXUYCMAZRCU-BXKDBHETSA-N 0 2 321.402 1.926 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)c2csc(-c3cnccn3)n2)c1C#N ZINC000357243292 409952620 /nfs/dbraw/zinc/95/26/20/409952620.db2.gz NIBFLYHDNJCYDB-UHFFFAOYSA-N 0 2 311.330 1.756 20 30 DDEDLN N#Cc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1F ZINC000352026968 410425951 /nfs/dbraw/zinc/42/59/51/410425951.db2.gz MDRFQKFQQDFTCL-DUXPYHPUSA-N 0 2 302.221 1.977 20 30 DDEDLN Cc1cc(C(=O)NCC(C)(C)C#N)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000359645332 410789273 /nfs/dbraw/zinc/78/92/73/410789273.db2.gz GSNZRJBHHRUVLH-UHFFFAOYSA-N 0 2 301.306 1.024 20 30 DDEDLN CC(C)(C)c1nnc(NS(=O)(=O)c2cncc(C#N)c2)o1 ZINC000290902144 222007259 /nfs/dbraw/zinc/00/72/59/222007259.db2.gz FGGPJXMIFNUNMX-UHFFFAOYSA-N 0 2 307.335 1.435 20 30 DDEDLN CC(=O)Nc1cccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1C ZINC000188283024 222010778 /nfs/dbraw/zinc/01/07/78/222010778.db2.gz RWVBMTFKLKLSOU-UHFFFAOYSA-N 0 2 308.301 1.672 20 30 DDEDLN N#C[C@H](C(=O)c1cn([C@H]2CCOC2)nn1)c1nc2ccccc2[nH]1 ZINC000361193279 418602426 /nfs/dbraw/zinc/60/24/26/418602426.db2.gz BSEKJORZBURKHL-WDEREUQCSA-N 0 2 322.328 1.606 20 30 DDEDLN CCc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)n(C)n1 ZINC000427753849 419728952 /nfs/dbraw/zinc/72/89/52/419728952.db2.gz BIZMTWPIWRUSQW-UHFFFAOYSA-N 0 2 305.363 1.358 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2ccnn2CC(C)C)cc1C#N ZINC000427768593 419731363 /nfs/dbraw/zinc/73/13/63/419731363.db2.gz RTICBZCJWCNINX-UHFFFAOYSA-N 0 2 319.390 1.915 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(C#N)c(F)c2)nn1 ZINC000427805260 419739169 /nfs/dbraw/zinc/73/91/69/419739169.db2.gz YURNDDABGDWTGT-UHFFFAOYSA-N 0 2 308.294 1.297 20 30 DDEDLN COCCn1cc(S(=O)(=O)Nc2ccc(F)c(C#N)c2)cn1 ZINC000439037487 420476878 /nfs/dbraw/zinc/47/68/78/420476878.db2.gz DBEAERAJDDGCPP-UHFFFAOYSA-N 0 2 324.337 1.341 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)NC[C@](C)(O)C(C)C)cc1C#N ZINC000440232304 420562585 /nfs/dbraw/zinc/56/25/85/420562585.db2.gz NLVYIOMVKBIHCA-AWEZNQCLSA-N 0 2 309.391 1.518 20 30 DDEDLN C#CC[N@@H+](C)CCCNC(=O)[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000491816012 421204152 /nfs/dbraw/zinc/20/41/52/421204152.db2.gz VUSSKUZJFLMHBF-KRWDZBQOSA-N 0 2 323.481 1.195 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cc3ccccn3n2)cc1F ZINC000562374837 421359704 /nfs/dbraw/zinc/35/97/04/421359704.db2.gz ZHVUPAALVQFXGC-UHFFFAOYSA-N 0 2 316.317 2.146 20 30 DDEDLN Cc1cc(C(O)=C(C#N)C(=O)NC(C)C)c(C)n1[C@@H]1CCOC1 ZINC000528917295 421524204 /nfs/dbraw/zinc/52/42/04/421524204.db2.gz HGFBVGPTZAWXMA-HIFRSBDPSA-N 0 2 317.389 1.913 20 30 DDEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1cc2ccccn2n1 ZINC000552036895 421569083 /nfs/dbraw/zinc/56/90/83/421569083.db2.gz UHWDAJOPOMQPLL-UHFFFAOYSA-N 0 2 312.354 2.315 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]([C@@H](C)O)C2)cc1C#N ZINC000533016165 421667867 /nfs/dbraw/zinc/66/78/67/421667867.db2.gz NQKPHLIATSHWDW-ZJUUUORDSA-N 0 2 321.402 1.614 20 30 DDEDLN N#Cc1nc(NC(=O)[C@H]2COc3ccc(F)cc3C2)[nH]c1C#N ZINC000161078645 303216818 /nfs/dbraw/zinc/21/68/18/303216818.db2.gz LEVAHBMZUABRDG-SECBINFHSA-N 0 2 311.276 1.482 20 30 DDEDLN C=C(C)CONC(=O)CN(CCOC)C(=O)OC(C)(C)C ZINC000496191502 340000209 /nfs/dbraw/zinc/00/02/09/340000209.db2.gz YHTVMHXYPBCCOB-UHFFFAOYSA-N 0 2 302.371 1.494 20 30 DDEDLN C=CC[C@H](CO)NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194485795 340592881 /nfs/dbraw/zinc/59/28/81/340592881.db2.gz NXFXUPUJFCWLRJ-LLVKDONJSA-N 0 2 321.764 1.898 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2nc3n(n2)CCCC3)cc1 ZINC000564412227 484338699 /nfs/dbraw/zinc/33/86/99/484338699.db2.gz DKQTTZJMTRUFGO-UHFFFAOYSA-N 0 2 303.347 1.287 20 30 DDEDLN C[C@H](CN(C)C(=O)C(F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001120844671 782181122 /nfs/dbraw/zinc/18/11/22/782181122.db2.gz KQDZPINFEQRHGY-GMSGAONNSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CN(C)C(=O)[C@@H](F)C(F)(F)F)Nc1cncc(C#N)n1 ZINC001120844671 782181128 /nfs/dbraw/zinc/18/11/28/782181128.db2.gz KQDZPINFEQRHGY-GMSGAONNSA-N 0 2 319.262 1.507 20 30 DDEDLN CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000833505100 604767175 /nfs/dbraw/zinc/76/71/75/604767175.db2.gz HGRGAHXRSBIYCN-CQSZACIVSA-N 0 2 316.361 1.516 20 30 DDEDLN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000833505100 604767178 /nfs/dbraw/zinc/76/71/78/604767178.db2.gz HGRGAHXRSBIYCN-CQSZACIVSA-N 0 2 316.361 1.516 20 30 DDEDLN C=CCOc1cccc(C[NH+]2CC(n3cc(C(=O)[O-])nn3)C2)c1 ZINC000833378995 605555902 /nfs/dbraw/zinc/55/59/02/605555902.db2.gz SVGNOBIVTIDVMY-UHFFFAOYSA-N 0 2 314.345 1.598 20 30 DDEDLN C=CC[N@@H+](CCc1ccco1)CN1C[C@@H](NC(=O)[O-])CC1=O ZINC000833787802 605997052 /nfs/dbraw/zinc/99/70/52/605997052.db2.gz CUCYTGLCGIISOX-LBPRGKRZSA-N 0 2 307.350 1.136 20 30 DDEDLN C=CC[N@H+](CCc1ccco1)CN1C[C@@H](NC(=O)[O-])CC1=O ZINC000833787802 605997053 /nfs/dbraw/zinc/99/70/53/605997053.db2.gz CUCYTGLCGIISOX-LBPRGKRZSA-N 0 2 307.350 1.136 20 30 DDEDLN N#Cc1ccc(O)c(NS(=O)(=O)c2c[nH]c3ncccc32)c1 ZINC000748674639 700131157 /nfs/dbraw/zinc/13/11/57/700131157.db2.gz VWHZOPDNBGFTEX-UHFFFAOYSA-N 0 2 314.326 1.941 20 30 DDEDLN N#CC(C(=O)COC[C@H]1CCCO1)c1nnc2n1CCCCC2 ZINC000733681494 699611169 /nfs/dbraw/zinc/61/11/69/699611169.db2.gz VQYCZZWKLJDDJF-CHWSQXEVSA-N 0 2 318.377 1.376 20 30 DDEDLN CC#CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000801165305 700273307 /nfs/dbraw/zinc/27/33/07/700273307.db2.gz WHXPOVJTFMGYJI-UHFFFAOYSA-N 0 2 321.383 1.906 20 30 DDEDLN N#CC(C(=O)Cn1c(=O)cnc2ccccc21)c1ccncn1 ZINC000760351742 700804342 /nfs/dbraw/zinc/80/43/42/700804342.db2.gz IAUSHALZZWMGOX-LLVKDONJSA-N 0 2 305.297 1.063 20 30 DDEDLN N#C[C@@H](C(=O)Cn1c(=O)cnc2ccccc21)c1ccncn1 ZINC000760351742 700804344 /nfs/dbraw/zinc/80/43/44/700804344.db2.gz IAUSHALZZWMGOX-LLVKDONJSA-N 0 2 305.297 1.063 20 30 DDEDLN Cc1csc([C@H](C#N)C(=O)[C@H]2CCc3nnn(C)c3C2)n1 ZINC000810519829 701782029 /nfs/dbraw/zinc/78/20/29/701782029.db2.gz MJPSXAARWPPSCQ-VHSXEESVSA-N 0 2 301.375 1.561 20 30 DDEDLN C[C@@H]1CC(=[NH+]C([O-])=C2CCCN(c3ccccc3)C2=O)NO1 ZINC000815885564 701958130 /nfs/dbraw/zinc/95/81/30/701958130.db2.gz RVAOHYSANJCWSA-YPMHNXCESA-N 0 2 301.346 1.668 20 30 DDEDLN C=CCn1cc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])nn1 ZINC000818345828 702638753 /nfs/dbraw/zinc/63/87/53/702638753.db2.gz GFENAAOBACECGZ-NSHDSACASA-N 0 2 316.361 1.807 20 30 DDEDLN Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1C#N ZINC000843875894 702936863 /nfs/dbraw/zinc/93/68/63/702936863.db2.gz UVYKDYYDEIEWRU-UHFFFAOYSA-N 0 2 311.345 1.710 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000873644377 704815140 /nfs/dbraw/zinc/81/51/40/704815140.db2.gz WXKOQFFIEBNHJX-DFBGVHRSSA-N 0 2 316.357 1.815 20 30 DDEDLN COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000873644377 704815144 /nfs/dbraw/zinc/81/51/44/704815144.db2.gz WXKOQFFIEBNHJX-DFBGVHRSSA-N 0 2 316.357 1.815 20 30 DDEDLN CC1(C#N)CC[NH+](CC(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000833551583 707009345 /nfs/dbraw/zinc/00/93/45/707009345.db2.gz PYWOKJJMTXYUEP-UHFFFAOYSA-N 0 2 301.346 1.949 20 30 DDEDLN N#CC1(COC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)CC1 ZINC000860308795 705154228 /nfs/dbraw/zinc/15/42/28/705154228.db2.gz BNHDHCOHOPBEEW-UHFFFAOYSA-N 0 2 316.235 1.919 20 30 DDEDLN C=CCC[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C(=O)[O-] ZINC000909081500 712933497 /nfs/dbraw/zinc/93/34/97/712933497.db2.gz DZBZTHWOEMQCGM-CHWSQXEVSA-N 0 2 318.377 1.379 20 30 DDEDLN CN(Cc1cc(C#N)cs1)C(=O)C[C@H]1SC(=N)NC1=O ZINC000887972504 709183289 /nfs/dbraw/zinc/18/32/89/709183289.db2.gz YNBZDHWDWOEFHS-SECBINFHSA-N 0 2 308.388 1.135 20 30 DDEDLN Cn1cc(S(=O)(=O)Nc2ccc(C#N)cc2C2CC2)cn1 ZINC000901973265 710190136 /nfs/dbraw/zinc/19/01/36/710190136.db2.gz MCMUEHZMEOFRDO-UHFFFAOYSA-N 0 2 302.359 1.970 20 30 DDEDLN C=CCCC(=O)[C@H]1CCCN1C(=O)C[C@H]1SC(=N)NC1=O ZINC000908645909 712828186 /nfs/dbraw/zinc/82/81/86/712828186.db2.gz FKCPCYASFZKPJG-MWLCHTKSSA-N 0 2 309.391 1.069 20 30 DDEDLN C#CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)Cc3[nH]cc[nH+]3)C(C)(C)[C@@H]21 ZINC001087310013 736039925 /nfs/dbraw/zinc/03/99/25/736039925.db2.gz PMADDCBIVFYBTG-DAXOMENPSA-N 0 2 300.406 1.191 20 30 DDEDLN C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)C(F)C(F)(F)F ZINC001104846961 737275847 /nfs/dbraw/zinc/27/58/47/737275847.db2.gz ATSNMJXCUFMHNM-XCBNKYQSSA-N 0 2 319.262 1.507 20 30 DDEDLN C[C@H](CNc1cnc(C#N)cn1)N(C)C(=O)[C@H](F)C(F)(F)F ZINC001104846961 737275853 /nfs/dbraw/zinc/27/58/53/737275853.db2.gz ATSNMJXCUFMHNM-XCBNKYQSSA-N 0 2 319.262 1.507 20 30 DDEDLN N#Cc1cnn(-c2ccccn2)c1NS(=O)(=O)CC1CC1 ZINC001188938080 744795185 /nfs/dbraw/zinc/79/51/85/744795185.db2.gz YYEGTWCODVXEDT-UHFFFAOYSA-N 0 2 303.347 1.291 20 30 DDEDLN C[C@H](C#N)S(=O)(=O)Nc1cnc2cc(C(F)(F)F)nn2c1 ZINC001193106664 745980408 /nfs/dbraw/zinc/98/04/08/745980408.db2.gz IOOFHRSSUASERW-ZCFIWIBFSA-N 0 2 319.268 1.402 20 30 DDEDLN CC#CC[N@@H+]1CCC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H]1C ZINC000994267498 746554292 /nfs/dbraw/zinc/55/42/92/746554292.db2.gz KFCDGSDODPKLAO-HOCLYGCPSA-N 0 2 314.433 1.754 20 30 DDEDLN COc1nccc(NS(=O)(=O)c2ccc(C)c(C#N)c2)n1 ZINC001201287988 748454741 /nfs/dbraw/zinc/45/47/41/748454741.db2.gz RLCGJPDSTXJSGB-UHFFFAOYSA-N 0 2 304.331 1.466 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1(CNC(=O)C(F)C(F)(F)F)CCC1 ZINC001063306315 754079225 /nfs/dbraw/zinc/07/92/25/754079225.db2.gz WHURFMPSLRLULQ-YUMQZZPRSA-N 0 2 309.263 1.202 20 30 DDEDLN C[C@@H](C#N)C(=O)NC1(CNC(=O)[C@H](F)C(F)(F)F)CCC1 ZINC001063306315 754079232 /nfs/dbraw/zinc/07/92/32/754079232.db2.gz WHURFMPSLRLULQ-YUMQZZPRSA-N 0 2 309.263 1.202 20 30 DDEDLN C=CC[NH+]1CCC2(CCN(C(=O)c3[nH]nc(C)c3[O-])C2)CC1 ZINC001040671734 762644740 /nfs/dbraw/zinc/64/47/40/762644740.db2.gz NXXRFILSZLLMPL-UHFFFAOYSA-N 0 2 304.394 1.538 20 30 DDEDLN C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)C(F)C(F)(F)F)C2 ZINC001019365350 759856926 /nfs/dbraw/zinc/85/69/26/759856926.db2.gz ZEOSMFDHWKNVND-RKDXNWHRSA-N 0 2 321.274 1.107 20 30 DDEDLN C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001019365350 759856931 /nfs/dbraw/zinc/85/69/31/759856931.db2.gz ZEOSMFDHWKNVND-RKDXNWHRSA-N 0 2 321.274 1.107 20 30 DDEDLN C#CC[NH+]1CCC(C2(NC(=O)c3n[nH]c(C)c3[O-])CC2)CC1 ZINC001000122473 761523631 /nfs/dbraw/zinc/52/36/31/761523631.db2.gz FWIWQPMSZGUZNU-UHFFFAOYSA-N 0 2 302.378 1.031 20 30 DDEDLN N#CCN1CC[C@@H](C2CCN(C(=O)C(F)C(F)(F)F)CC2)C1 ZINC001039131337 761767704 /nfs/dbraw/zinc/76/77/04/761767704.db2.gz JVOQDDLYDKOKNZ-NEPJUHHUSA-N 0 2 321.318 1.971 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)C(F)C(F)(F)F)CC1 ZINC001412288584 854408978 /nfs/dbraw/zinc/40/89/78/854408978.db2.gz NBWCNKOZVQSSLX-WCBMZHEXSA-N 0 2 323.290 1.496 20 30 DDEDLN C[C@@H](C#N)C(=O)N1CCC(N(C)C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001412288584 854408980 /nfs/dbraw/zinc/40/89/80/854408980.db2.gz NBWCNKOZVQSSLX-WCBMZHEXSA-N 0 2 323.290 1.496 20 30 DDEDLN CN(CCCNC(=O)C(F)C(F)(F)F)c1ccnc(C#N)n1 ZINC001095758420 855322955 /nfs/dbraw/zinc/32/29/55/855322955.db2.gz IBSUXAVRDCUAIP-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN CN(CCCNC(=O)[C@H](F)C(F)(F)F)c1ccnc(C#N)n1 ZINC001095758420 855322964 /nfs/dbraw/zinc/32/29/64/855322964.db2.gz IBSUXAVRDCUAIP-JTQLQIEISA-N 0 2 319.262 1.191 20 30 DDEDLN Cn1c(=O)[nH]c(N2Cc3ccc(Cl)cc3C2)c(C#N)c1=O ZINC001412885861 855753931 /nfs/dbraw/zinc/75/39/31/855753931.db2.gz KJPQTIHRKYJCBA-UHFFFAOYSA-N 0 2 302.721 1.119 20 30 DDEDLN C=CCS(=O)(=O)Nc1ncc(Br)nc1OCC ZINC001259923207 856640545 /nfs/dbraw/zinc/64/05/45/856640545.db2.gz YDNGXWVRBBYSSN-UHFFFAOYSA-N 0 2 322.184 1.566 20 30 DDEDLN C=CCCC(=O)N1CC2(C1)CCN(C(=O)C(F)C(F)(F)F)C2 ZINC001339874539 870754248 /nfs/dbraw/zinc/75/42/48/870754248.db2.gz COJJTDJPSADDGT-LLVKDONJSA-N 0 2 322.302 1.914 20 30 DDEDLN C=CCCC(=O)N1CC2(C1)CCN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001339874539 870754262 /nfs/dbraw/zinc/75/42/62/870754262.db2.gz COJJTDJPSADDGT-LLVKDONJSA-N 0 2 322.302 1.914 20 30 DDEDLN C=CCOC[C@H](CS(=O)(=O)[O-])Oc1c(C)cc[nH+]c1C ZINC001227263306 882940924 /nfs/dbraw/zinc/94/09/24/882940924.db2.gz DCHAAMAXZZSXMO-GFCCVEGCSA-N 0 2 301.364 1.536 20 30 DDEDLN C#CCN(CC#C)c1nnc(-c2n[nH]c(Cl)n2)n1CC1CC1 ZINC001351334187 876192827 /nfs/dbraw/zinc/19/28/27/876192827.db2.gz RHJRVHHCJBAWDD-UHFFFAOYSA-N 0 2 315.768 1.199 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1nc(CN(C)C)cs1 ZINC001362980144 885134174 /nfs/dbraw/zinc/13/41/74/885134174.db2.gz GNBOGRLFBGUNMV-UHFFFAOYSA-N 0 2 317.374 1.738 20 30 DDEDLN Cc1ccc(C[C@H](C)N(C)c2[nH]c(=O)n(C)c(=O)c2C#N)cc1 ZINC001364144155 888019825 /nfs/dbraw/zinc/01/98/25/888019825.db2.gz FTEMHCUNBZSEPH-LBPRGKRZSA-N 0 2 312.373 1.321 20 30 DDEDLN N#Cc1cc(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)ccn1 ZINC001365071359 890038159 /nfs/dbraw/zinc/03/81/59/890038159.db2.gz FCFLIPACCPICRG-SECBINFHSA-N 0 2 313.321 1.188 20 30 DDEDLN CC(C)(C)C#CC(=O)NCC1(NC(=O)C(F)C(F)(F)F)CC1 ZINC001285923574 911447692 /nfs/dbraw/zinc/44/76/92/911447692.db2.gz KZYRJIYLXQZUKA-JTQLQIEISA-N 0 2 322.302 1.701 20 30 DDEDLN CC(C)(C)C#CC(=O)NCC1(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC001285923574 911447702 /nfs/dbraw/zinc/44/77/02/911447702.db2.gz KZYRJIYLXQZUKA-JTQLQIEISA-N 0 2 322.302 1.701 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)C(F)C(F)(F)F)C2)C1 ZINC001294761319 915349716 /nfs/dbraw/zinc/34/97/16/915349716.db2.gz ZEEKYZVJLYBVBJ-VHSXEESVSA-N 0 2 322.302 1.960 20 30 DDEDLN C=C1CC(C)(C(=O)N2CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C2)C1 ZINC001294761319 915349736 /nfs/dbraw/zinc/34/97/36/915349736.db2.gz ZEEKYZVJLYBVBJ-VHSXEESVSA-N 0 2 322.302 1.960 20 30 DDEDLN O=C(C#CC1CC1)N[C@@H](CNC(=O)C(F)C(F)(F)F)C1CC1 ZINC001294903851 915452234 /nfs/dbraw/zinc/45/22/34/915452234.db2.gz QRKWNIUUSHPPGT-CMPLNLGQSA-N 0 2 320.286 1.311 20 30 DDEDLN O=C(C#CC1CC1)N[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001294903851 915452242 /nfs/dbraw/zinc/45/22/42/915452242.db2.gz QRKWNIUUSHPPGT-CMPLNLGQSA-N 0 2 320.286 1.311 20 30 DDEDLN N#C[C@@]1(F)CCN(C(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000615825212 362455026 /nfs/dbraw/zinc/45/50/26/362455026.db2.gz OLFURBAKWMRRDZ-HNNXBMFYSA-N 0 2 300.293 1.656 20 30 DDEDLN N#Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000072542858 353200749 /nfs/dbraw/zinc/20/07/49/353200749.db2.gz QZHNHRWTHSUORL-UHFFFAOYSA-N 0 2 319.298 1.973 20 30 DDEDLN N#Cc1ccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)cc1O ZINC000331975726 234340126 /nfs/dbraw/zinc/34/01/26/234340126.db2.gz XHIPDLCIKJQIJH-LLVKDONJSA-N 0 2 313.317 1.455 20 30 DDEDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccccc1C#N ZINC000110094423 353959121 /nfs/dbraw/zinc/95/91/21/353959121.db2.gz ALVPRTLTQHMLGT-UHFFFAOYSA-N 0 2 319.342 1.782 20 30 DDEDLN N#Cc1ccnc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)c1 ZINC000588341611 354917263 /nfs/dbraw/zinc/91/72/63/354917263.db2.gz YXFQKHUTYDNPTD-UHFFFAOYSA-N 0 2 307.269 1.549 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc1C#N ZINC000589963314 355035257 /nfs/dbraw/zinc/03/52/57/355035257.db2.gz DDQIQBXXXRJWTA-UHFFFAOYSA-N 0 2 315.358 1.730 20 30 DDEDLN CC(C)CCc1nc(Cn2c(=O)[nH]cc(C#N)c2=O)cs1 ZINC000592355013 355566089 /nfs/dbraw/zinc/56/60/89/355566089.db2.gz UXBAXMGYTXLGOX-UHFFFAOYSA-N 0 2 304.375 1.502 20 30 DDEDLN N#CC[C@]1(O)CCN(C(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000592847015 355714144 /nfs/dbraw/zinc/71/41/44/355714144.db2.gz HLIFHMWIJJBVCN-ZDUSSCGKSA-N 0 2 300.236 1.300 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](C)COCC2CC2)cc1C#N ZINC000593859717 356026493 /nfs/dbraw/zinc/02/64/93/356026493.db2.gz ZFGUYBBCTRSDPQ-SECBINFHSA-N 0 2 321.402 1.926 20 30 DDEDLN COCc1nnc(CNC(=O)Nc2scc(C)c2C#N)[nH]1 ZINC000596906112 357011952 /nfs/dbraw/zinc/01/19/52/357011952.db2.gz WEVIIFMYFOZOOQ-UHFFFAOYSA-N 0 2 306.351 1.514 20 30 DDEDLN COC1CCC(C[NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000330184276 223084647 /nfs/dbraw/zinc/08/46/47/223084647.db2.gz IKIFIKCCRPFPHK-MOKVOYLWSA-N 0 2 306.410 1.907 20 30 DDEDLN N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)CSc1n[nH]c(=O)[nH]1 ZINC000618890115 363784107 /nfs/dbraw/zinc/78/41/07/363784107.db2.gz BHWDCGBDAVGXBP-NSHDSACASA-N 0 2 315.358 1.278 20 30 DDEDLN CC(=O)NCc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000026271572 248183358 /nfs/dbraw/zinc/18/33/58/248183358.db2.gz HJSLBLHTABHCRG-UHFFFAOYSA-N 0 2 308.301 1.041 20 30 DDEDLN COc1cncc(S(=O)(=O)Nc2cc(C#N)ccc2OC)c1 ZINC000337195219 249385112 /nfs/dbraw/zinc/38/51/12/249385112.db2.gz VVNCBLDQECDGRD-UHFFFAOYSA-N 0 2 319.342 1.771 20 30 DDEDLN CC[C@H]1CN(C(=O)c2cc(C#N)c(SC)[nH]c2=O)C[C@@H]1O ZINC000340822861 251229168 /nfs/dbraw/zinc/22/91/68/251229168.db2.gz PCOGUWCOQIFSTC-KWQFWETISA-N 0 2 307.375 1.224 20 30 DDEDLN CCOC(=O)c1ccc(C#N)c(SCc2n[nH]c(=O)[nH]2)n1 ZINC000340836025 251235383 /nfs/dbraw/zinc/23/53/83/251235383.db2.gz AHUSAOWFMVJJAW-UHFFFAOYSA-N 0 2 305.319 1.246 20 30 DDEDLN Cc1cnn(-c2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2)c1 ZINC000052557244 407153110 /nfs/dbraw/zinc/15/31/10/407153110.db2.gz OFBQSSYNLQJZNM-UHFFFAOYSA-N 0 2 317.312 1.899 20 30 DDEDLN C[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000105356546 407353637 /nfs/dbraw/zinc/35/36/37/407353637.db2.gz FNIDQFUWRROXAU-DYBVGFEPSA-N 0 2 307.350 1.829 20 30 DDEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1nc(C)cc(C)n1 ZINC000185699348 407478233 /nfs/dbraw/zinc/47/82/33/407478233.db2.gz TZRIAZAQPBZQHW-UHFFFAOYSA-N 0 2 318.358 1.775 20 30 DDEDLN CC(C)c1nnc(NS(=O)(=O)c2cncc(C#N)c2)s1 ZINC000290927134 408853930 /nfs/dbraw/zinc/85/39/30/408853930.db2.gz JEESYNUWSWQBDN-UHFFFAOYSA-N 0 2 309.376 1.729 20 30 DDEDLN C#CCONC(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000291170270 408861134 /nfs/dbraw/zinc/86/11/34/408861134.db2.gz DMBLLBNEIXLQBG-AWEZNQCLSA-N 0 2 318.373 1.976 20 30 DDEDLN C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000287432723 409036018 /nfs/dbraw/zinc/03/60/18/409036018.db2.gz FLFDQIQANOTWJL-MRVPVSSYSA-N 0 2 318.337 1.252 20 30 DDEDLN CCOC(=O)CC(C)(C)CC(=O)Nc1nc(C#N)c(C#N)[nH]1 ZINC000287531052 409050165 /nfs/dbraw/zinc/05/01/65/409050165.db2.gz KUVWGXWYCIHQIF-UHFFFAOYSA-N 0 2 303.322 1.461 20 30 DDEDLN C#CC[N@H+](C)CCC[NH2+][C@H](c1nccn1C)C1CCOCC1 ZINC000297166062 409834343 /nfs/dbraw/zinc/83/43/43/409834343.db2.gz DDSIWEXXCZUTEP-INIZCTEOSA-N 0 2 304.438 1.433 20 30 DDEDLN Cc1[nH][nH]c(=NC(=O)[C@@H](C)Oc2ccc(F)c(F)c2)c1C#N ZINC000357250356 409951543 /nfs/dbraw/zinc/95/15/43/409951543.db2.gz YQQKDGOQAALUJM-MRVPVSSYSA-N 0 2 306.272 2.274 20 30 DDEDLN N#Cc1nc(NC(=O)c2csc(C(F)(F)F)n2)[nH]c1C#N ZINC000351309192 410056673 /nfs/dbraw/zinc/05/66/73/410056673.db2.gz WJJYGAOHIXMKAV-UHFFFAOYSA-N 0 2 312.236 1.881 20 30 DDEDLN Cn1cc(-c2ncc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)s2)cn1 ZINC000351806863 410252608 /nfs/dbraw/zinc/25/26/08/410252608.db2.gz IKRIGSGISQGSNY-UHFFFAOYSA-N 0 2 324.329 1.262 20 30 DDEDLN COc1ccnc(NS(=O)(=O)c2cc(C#N)ccc2C)c1 ZINC000089642112 418492565 /nfs/dbraw/zinc/49/25/65/418492565.db2.gz PQOWHHAIRNCPMV-UHFFFAOYSA-N 0 2 303.343 2.071 20 30 DDEDLN CCCC/N=C1/NC(=O)[C@@H](CC(=O)NCC(F)(F)F)S1 ZINC000195215819 222193215 /nfs/dbraw/zinc/19/32/15/222193215.db2.gz JKSGRQICRPZZQF-SSDOTTSWSA-N 0 2 311.329 1.443 20 30 DDEDLN C=CCCCS(=O)(=O)Nc1nccc(OCCOC)n1 ZINC000427777229 419735496 /nfs/dbraw/zinc/73/54/96/419735496.db2.gz JRGQQIHREQDQSV-UHFFFAOYSA-N 0 2 301.368 1.210 20 30 DDEDLN CC(=O)N(C)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cc1 ZINC000429117416 419971309 /nfs/dbraw/zinc/97/13/09/419971309.db2.gz PMQHCICDWXRNER-UHFFFAOYSA-N 0 2 308.301 1.388 20 30 DDEDLN COc1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)cn1 ZINC000523529815 421240016 /nfs/dbraw/zinc/24/00/16/421240016.db2.gz NDOIZVYDRCJGRR-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN COc1ccc(N2CC(=O)C(C(=O)NCC3(C#N)CC3)=N2)cc1 ZINC000514836645 421458140 /nfs/dbraw/zinc/45/81/40/421458140.db2.gz NGAVNZXERRSEFM-UHFFFAOYSA-N 0 2 312.329 1.620 20 30 DDEDLN CSc1[n-]c(=O)c(C(=O)NC(C)(C)c2[nH]cc[nH+]2)cc1C#N ZINC000521449075 421789327 /nfs/dbraw/zinc/78/93/27/421789327.db2.gz WMCQSBUONUZRAQ-UHFFFAOYSA-N 0 2 317.374 1.769 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2ncc(C#N)s2)c(F)c1 ZINC000616338696 422503110 /nfs/dbraw/zinc/50/31/10/422503110.db2.gz AFMONZSNUJWPTI-UHFFFAOYSA-N 0 2 313.335 1.963 20 30 DDEDLN C=CCCn1cc(C[N@@H+]2CCc3occc3[C@H]2C(=O)[O-])nn1 ZINC000629366327 422632614 /nfs/dbraw/zinc/63/26/14/422632614.db2.gz ROBDGOFOESGBJM-AWEZNQCLSA-N 0 2 302.334 1.631 20 30 DDEDLN C=CCCn1cc(C[N@H+]2CCc3occc3[C@H]2C(=O)[O-])nn1 ZINC000629366327 422632617 /nfs/dbraw/zinc/63/26/17/422632617.db2.gz ROBDGOFOESGBJM-AWEZNQCLSA-N 0 2 302.334 1.631 20 30 DDEDLN CSc1[nH]c(=O)c(C(=O)N(C)CCOCC2CC2)cc1C#N ZINC000088462536 263333505 /nfs/dbraw/zinc/33/35/05/263333505.db2.gz RWOFKGDYZKTSJI-UHFFFAOYSA-N 0 2 321.402 1.879 20 30 DDEDLN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n(CCC#N)n1 ZINC000548123067 341248177 /nfs/dbraw/zinc/24/81/77/341248177.db2.gz AAGGFZHULOILAR-UHFFFAOYSA-N 0 2 315.289 1.971 20 30 DDEDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NCC1(C#N)CC1 ZINC000566656085 341564311 /nfs/dbraw/zinc/56/43/11/341564311.db2.gz PXCSIYMRUBFOOC-UHFFFAOYSA-N 0 2 317.374 1.842 20 30 DDEDLN C=CC[C@H](CO)NC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000337247345 527195457 /nfs/dbraw/zinc/19/54/57/527195457.db2.gz KDXDKUOYQBMMGE-LLVKDONJSA-N 0 2 304.375 1.686 20 30 DDEDLN C#C[C@@H](C)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000491277939 527204600 /nfs/dbraw/zinc/20/46/00/527204600.db2.gz QVTOECGBGNONBY-GFCCVEGCSA-N 0 2 313.361 1.547 20 30 DDEDLN CCC(=O)N1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330606417 528358977 /nfs/dbraw/zinc/35/89/77/528358977.db2.gz ISJHZKZMRBZBJB-VIFPVBQESA-N 0 2 307.306 1.616 20 30 DDEDLN Cc1ncsc1C=Nn1c(C)cc(C)c(-c2nn[nH]n2)c1=O ZINC000822198954 599334698 /nfs/dbraw/zinc/33/46/98/599334698.db2.gz PXALOCFAVYSZTO-UHFFFAOYSA-N 0 2 315.362 1.292 20 30 DDEDLN C=CC[N@@H+](Cc1ccccc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833376082 604596405 /nfs/dbraw/zinc/59/64/05/604596405.db2.gz MZXDCXPIGBJMIT-ZDUSSCGKSA-N 0 2 309.387 1.560 20 30 DDEDLN C=CC[N@H+](Cc1ccccc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000833376082 604596407 /nfs/dbraw/zinc/59/64/07/604596407.db2.gz MZXDCXPIGBJMIT-ZDUSSCGKSA-N 0 2 309.387 1.560 20 30 DDEDLN COc1ccccc1OCC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000122833212 696725441 /nfs/dbraw/zinc/72/54/41/696725441.db2.gz NYCBTUVXQXWRFO-NSHDSACASA-N 0 2 313.313 1.399 20 30 DDEDLN O=C(NCC/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000027081953 696098204 /nfs/dbraw/zinc/09/82/04/696098204.db2.gz LKZFBAFBPNQHJQ-OQLLNIDSSA-N 0 2 303.274 1.742 20 30 DDEDLN C[C@H](OC(=O)Cn1[nH]cc2c(=O)ncnc1-2)c1ccc(C#N)cc1 ZINC000748677115 700131109 /nfs/dbraw/zinc/13/11/09/700131109.db2.gz JKHXTLRGDWEIJV-JTQLQIEISA-N 0 2 323.312 1.247 20 30 DDEDLN C=CCS(=O)(=O)[C@H](C)C(=O)c1[nH]c(C)c(C(=O)OC)c1C ZINC000779366313 698417966 /nfs/dbraw/zinc/41/79/66/698417966.db2.gz MWIKTTGQUCCOFM-SNVBAGLBSA-N 0 2 313.375 1.590 20 30 DDEDLN N#CC(C(=O)NCc1ccccc1)=C([O-])c1cn2ccccc2[nH+]1 ZINC000729070811 699466018 /nfs/dbraw/zinc/46/60/18/699466018.db2.gz YRUMVUJTHWRKMK-CQSZACIVSA-N 0 2 318.336 1.973 20 30 DDEDLN COC[C@H](C)/N=C1/NC(=O)[C@H](CC(=O)NCCC(C)C)S1 ZINC000732795842 699571152 /nfs/dbraw/zinc/57/11/52/699571152.db2.gz AIJXDENSJJKMOU-QWRGUYRKSA-N 0 2 315.439 1.161 20 30 DDEDLN Cn1nccc1COCC(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC000793121837 699734055 /nfs/dbraw/zinc/73/40/55/699734055.db2.gz MPNZSIBJVSGDGW-GFCCVEGCSA-N 0 2 310.313 1.954 20 30 DDEDLN N#C[C@H](C(=O)[C@@H]1COCCN1CC(F)(F)F)c1ccccn1 ZINC000796782027 699952308 /nfs/dbraw/zinc/95/23/08/699952308.db2.gz OJJOQGIANQVHKR-JQWIXIFHSA-N 0 2 313.279 1.521 20 30 DDEDLN N#Cc1ccc(CNC(=O)C[C@H]2SC(=N)NC2=O)cc1Cl ZINC000801523714 700316731 /nfs/dbraw/zinc/31/67/31/700316731.db2.gz JXZWIJZCXSIITK-SNVBAGLBSA-N 0 2 322.777 1.384 20 30 DDEDLN COC(=O)c1ccc(NN=Cc2ccc(O)c([N+](=O)[O-])c2)nc1 ZINC000758139958 700685747 /nfs/dbraw/zinc/68/57/47/700685747.db2.gz NHHUOCPKLCVBCP-UHFFFAOYSA-N 0 2 316.273 1.928 20 30 DDEDLN N#CC(C(=O)[C@@H]1CCCN1C(=O)c1ccccc1)c1ccncn1 ZINC000760339110 700803205 /nfs/dbraw/zinc/80/32/05/700803205.db2.gz IEMMFEAQFUWANX-HOCLYGCPSA-N 0 2 320.352 1.958 20 30 DDEDLN C[C@@H]1CC(=[NH+]C([O-])=C2CCN(c3ccc(F)cc3)C2=O)NO1 ZINC000765369739 701008438 /nfs/dbraw/zinc/00/84/38/701008438.db2.gz SEXABJHSKLBYHW-SKDRFNHKSA-N 0 2 305.309 1.417 20 30 DDEDLN C[C@H]1CC(=[NH+]C([O-])=C2CCCN(c3ccccc3)C2=O)NO1 ZINC000815885561 701958175 /nfs/dbraw/zinc/95/81/75/701958175.db2.gz RVAOHYSANJCWSA-AAEUAGOBSA-N 0 2 301.346 1.668 20 30 DDEDLN CN1CC[C@H](C(=O)C(C#N)c2nc3ccccc3o2)S1(=O)=O ZINC000842693594 702758151 /nfs/dbraw/zinc/75/81/51/702758151.db2.gz IIVKAMHOZCURGO-BXKDBHETSA-N 0 2 319.342 1.038 20 30 DDEDLN CN1CC[C@H](C(=O)[C@@H](C#N)c2nc3ccccc3o2)S1(=O)=O ZINC000842693594 702758153 /nfs/dbraw/zinc/75/81/53/702758153.db2.gz IIVKAMHOZCURGO-BXKDBHETSA-N 0 2 319.342 1.038 20 30 DDEDLN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C(F)C(F)(F)F)C1 ZINC000843726276 702917574 /nfs/dbraw/zinc/91/75/74/702917574.db2.gz LARDZMGWZZXNDI-XRGYYRRGSA-N 0 2 324.196 1.414 20 30 DDEDLN CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000843726276 702917575 /nfs/dbraw/zinc/91/75/75/702917575.db2.gz LARDZMGWZZXNDI-XRGYYRRGSA-N 0 2 324.196 1.414 20 30 DDEDLN CS(=O)(=O)CC(=O)C(C#N)=C(O)C1(c2ccccc2)CC1 ZINC000845836832 703208047 /nfs/dbraw/zinc/20/80/47/703208047.db2.gz BYTIYPCRKZYGBU-GFCCVEGCSA-N 0 2 305.355 1.041 20 30 DDEDLN C[C@@H]1C[N@H+](CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)CO1 ZINC000849169314 703623029 /nfs/dbraw/zinc/62/30/29/703623029.db2.gz AVDJZJFJGCRTMQ-VHDTZWJUSA-N 0 2 307.350 1.829 20 30 DDEDLN C[C@@H]1C[N@@H+](CC/N=C/c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C)CO1 ZINC000849169314 703623030 /nfs/dbraw/zinc/62/30/30/703623030.db2.gz AVDJZJFJGCRTMQ-VHDTZWJUSA-N 0 2 307.350 1.829 20 30 DDEDLN CO[C@@H](C(=O)OC(C)(C)C)C(=O)C(C#N)c1nc(C)cs1 ZINC000870116695 703919026 /nfs/dbraw/zinc/91/90/26/703919026.db2.gz HNBVGMURTOHBOQ-MWLCHTKSSA-N 0 2 310.375 1.985 20 30 DDEDLN CCO[C@@H]1COCC[C@H]1CC(=O)C(C#N)=C([O-])c1[nH+]ccn1C ZINC000870244166 703971423 /nfs/dbraw/zinc/97/14/23/703971423.db2.gz VLRSVSGRTNZDTI-SGMGOOAPSA-N 0 2 319.361 1.143 20 30 DDEDLN COc1cccc([S@](=O)CC(=O)[C@H](C#N)C(=O)NC(C)C)c1 ZINC000819943122 704190252 /nfs/dbraw/zinc/19/02/52/704190252.db2.gz OKAGVBBJKDBJHU-WHEQGISXSA-N 0 2 322.386 1.036 20 30 DDEDLN C=CCCONC(=O)CS[C@H](C)C(=O)Nc1cc(C)on1 ZINC000856028390 704510089 /nfs/dbraw/zinc/51/00/89/704510089.db2.gz HGYOAKJUYGWJFI-SNVBAGLBSA-N 0 2 313.379 1.667 20 30 DDEDLN C#C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000856104188 704513908 /nfs/dbraw/zinc/51/39/08/704513908.db2.gz RNZYOXDKAWFXID-CYBMUJFWSA-N 0 2 304.302 1.459 20 30 DDEDLN N#C[C@H](C(=O)c1ccc(CN2CCOCC2)o1)c1ccccn1 ZINC000892481996 710444320 /nfs/dbraw/zinc/44/43/20/710444320.db2.gz AFXIRHXIKWSRDZ-AWEZNQCLSA-N 0 2 311.341 1.997 20 30 DDEDLN COC(=O)CC1CC(NS(=O)(=O)c2ccccc2C#N)C1 ZINC000921185429 713719032 /nfs/dbraw/zinc/71/90/32/713719032.db2.gz DESWMMZXYSSDCF-UHFFFAOYSA-N 0 2 308.359 1.178 20 30 DDEDLN C#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000968925340 719875018 /nfs/dbraw/zinc/87/50/18/719875018.db2.gz AMBXUOUBFPEXFK-HOTGVXAUSA-N 0 2 314.433 1.440 20 30 DDEDLN C=CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC000972689801 735475716 /nfs/dbraw/zinc/47/57/16/735475716.db2.gz ZWXFXSHTWRXAER-WMZOPIPTSA-N 0 2 321.465 1.350 20 30 DDEDLN C=C(C)C[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001035763340 751846719 /nfs/dbraw/zinc/84/67/19/751846719.db2.gz UJCBAJAZJFHUQX-UHFFFAOYSA-N 0 2 302.422 1.774 20 30 DDEDLN N#Cc1cnc(CNC(=O)C(F)(F)OCC(F)(F)F)s1 ZINC001183198246 743796180 /nfs/dbraw/zinc/79/61/80/743796180.db2.gz YHNOUNVVRLFHEZ-UHFFFAOYSA-N 0 2 315.223 1.803 20 30 DDEDLN C=CCn1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)n[nH]2)nn1 ZINC001184482269 744052247 /nfs/dbraw/zinc/05/22/47/744052247.db2.gz KMVHYYPXQAFYBZ-UHFFFAOYSA-N 0 2 320.316 1.373 20 30 DDEDLN N#Cc1cnccc1NC1(CNC(=O)C(F)C(F)(F)F)CC1 ZINC001110375233 744347253 /nfs/dbraw/zinc/34/72/53/744347253.db2.gz AWQIIPCRLMKHTM-SNVBAGLBSA-N 0 2 316.258 1.336 20 30 DDEDLN N#Cc1cnccc1NC1(CNC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001110375233 744347255 /nfs/dbraw/zinc/34/72/55/744347255.db2.gz AWQIIPCRLMKHTM-SNVBAGLBSA-N 0 2 316.258 1.336 20 30 DDEDLN CCOc1ccc(C)cc1S(=O)(=O)Nc1ccnc(C#N)c1 ZINC001191787036 745611043 /nfs/dbraw/zinc/61/10/43/745611043.db2.gz CBCAZPGHWGKJTE-UHFFFAOYSA-N 0 2 317.370 1.883 20 30 DDEDLN COC(=O)n1ncc(C#N)c1NC(=O)c1c(F)ccc(O)c1F ZINC001192553060 745813809 /nfs/dbraw/zinc/81/38/09/745813809.db2.gz VLDXWIMJAPKYSO-UHFFFAOYSA-N 0 2 322.227 1.605 20 30 DDEDLN C[C@H](CCNc1ccc(C#N)nn1)NC(=O)C(F)C(F)(F)F ZINC001106603312 745826880 /nfs/dbraw/zinc/82/68/80/745826880.db2.gz IOUYDDSVSZFOSI-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@H](CCNc1ccc(C#N)nn1)NC(=O)[C@@H](F)C(F)(F)F ZINC001106603312 745826886 /nfs/dbraw/zinc/82/68/86/745826886.db2.gz IOUYDDSVSZFOSI-GMSGAONNSA-N 0 2 319.262 1.555 20 30 DDEDLN C[C@@H](CCNc1ccncc1C#N)NC(=O)C(F)C(F)(F)F ZINC001106604403 745827359 /nfs/dbraw/zinc/82/73/59/745827359.db2.gz YYLMRGQRKIVZDJ-GZMMTYOYSA-N 0 2 318.274 1.582 20 30 DDEDLN C[C@@H](CCNc1ccncc1C#N)NC(=O)[C@@H](F)C(F)(F)F ZINC001106604403 745827367 /nfs/dbraw/zinc/82/73/67/745827367.db2.gz YYLMRGQRKIVZDJ-GZMMTYOYSA-N 0 2 318.274 1.582 20 30 DDEDLN C=C[C@H]1C[C@@]1(NC(=O)c1c(F)ccc(F)c1O)C(=O)OCC ZINC001192719492 745880104 /nfs/dbraw/zinc/88/01/04/745880104.db2.gz KGIUWYRJNNHMKY-AYVTZFPOSA-N 0 2 311.284 1.908 20 30 DDEDLN N#Cc1cccc(C(=O)Nc2cc(=O)[nH]c(=O)n2C2CC2)c1O ZINC001193658109 746168822 /nfs/dbraw/zinc/16/88/22/746168822.db2.gz TXJMTXUUTRJHOF-UHFFFAOYSA-N 0 2 312.285 1.113 20 30 DDEDLN C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H]1C ZINC000994214457 746489573 /nfs/dbraw/zinc/48/95/73/746489573.db2.gz UBJOULWAVAEVFV-MNOVXSKESA-N 0 2 314.345 1.144 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H]1C ZINC000994214457 746489576 /nfs/dbraw/zinc/48/95/76/746489576.db2.gz UBJOULWAVAEVFV-MNOVXSKESA-N 0 2 314.345 1.144 20 30 DDEDLN COc1cc(C)c(S(=O)(=O)Nc2cn(C)nc2C#N)c(C)c1 ZINC001196857701 746992867 /nfs/dbraw/zinc/99/28/67/746992867.db2.gz KQNVVCUSQAJXPA-UHFFFAOYSA-N 0 2 320.374 1.718 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2cc(C#N)cn2C(C)(C)C)n1C ZINC001198354198 747474986 /nfs/dbraw/zinc/47/49/86/747474986.db2.gz PVXSRGKMSHVXEU-UHFFFAOYSA-N 0 2 321.406 1.958 20 30 DDEDLN C=CC/N=C1/NC(=O)C(CC(=O)Nc2ccccc2F)S1 ZINC000005631165 749113735 /nfs/dbraw/zinc/11/37/35/749113735.db2.gz OSTQDSLCAWLLJK-NSHDSACASA-N 0 2 307.350 1.928 20 30 DDEDLN Cc1cc(NC[C@@H](C)NC(=O)C(F)C(F)(F)F)c(C#N)cn1 ZINC001108170478 753342477 /nfs/dbraw/zinc/34/24/77/753342477.db2.gz FJDDIIKCASALKE-LDYMZIIASA-N 0 2 318.274 1.501 20 30 DDEDLN Cc1cc(NC[C@@H](C)NC(=O)[C@@H](F)C(F)(F)F)c(C#N)cn1 ZINC001108170478 753342480 /nfs/dbraw/zinc/34/24/80/753342480.db2.gz FJDDIIKCASALKE-LDYMZIIASA-N 0 2 318.274 1.501 20 30 DDEDLN CCN(C(=O)C#CC1CC1)C1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001079741839 755561136 /nfs/dbraw/zinc/56/11/36/755561136.db2.gz XHMHUIBOIABDKY-LBPRGKRZSA-N 0 2 320.286 1.360 20 30 DDEDLN CCN(C(=O)C#CC1CC1)C1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001079741839 755561141 /nfs/dbraw/zinc/56/11/41/755561141.db2.gz XHMHUIBOIABDKY-LBPRGKRZSA-N 0 2 320.286 1.360 20 30 DDEDLN N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)C(F)C(F)(F)F)C2)n1 ZINC001097258597 757026024 /nfs/dbraw/zinc/02/60/24/757026024.db2.gz UBTDKVRRBMAMPK-PJKMHFRUSA-N 0 2 317.246 1.308 20 30 DDEDLN N#Cc1cncc(N[C@H]2C[C@@H](NC(=O)[C@H](F)C(F)(F)F)C2)n1 ZINC001097258597 757026040 /nfs/dbraw/zinc/02/60/40/757026040.db2.gz UBTDKVRRBMAMPK-PJKMHFRUSA-N 0 2 317.246 1.308 20 30 DDEDLN C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@@H]21 ZINC001084975927 758114336 /nfs/dbraw/zinc/11/43/36/758114336.db2.gz ZFWUCEJPTQDQRZ-INMHGKMJSA-N 0 2 312.417 1.002 20 30 DDEDLN N#Cc1oc2ccccc2c1NC(=O)c1nccnc1C(N)=O ZINC001147748554 773231732 /nfs/dbraw/zinc/23/17/32/773231732.db2.gz ZKMRREUTPSJCDR-UHFFFAOYSA-N 0 2 307.269 1.446 20 30 DDEDLN CCc1nc(C#N)cc(NCCNC(=O)C(F)C(F)(F)F)n1 ZINC001094182449 775498988 /nfs/dbraw/zinc/49/89/88/775498988.db2.gz BQSRQJGZMGLMPW-JTQLQIEISA-N 0 2 319.262 1.339 20 30 DDEDLN CCc1nc(C#N)cc(NCCNC(=O)[C@H](F)C(F)(F)F)n1 ZINC001094182449 775498997 /nfs/dbraw/zinc/49/89/97/775498997.db2.gz BQSRQJGZMGLMPW-JTQLQIEISA-N 0 2 319.262 1.339 20 30 DDEDLN N#Cc1cnccc1NCCCNC(=O)C(F)C(F)(F)F ZINC001094845841 776468258 /nfs/dbraw/zinc/46/82/58/776468258.db2.gz JUYCHNUKKCVIFX-JTQLQIEISA-N 0 2 304.247 1.194 20 30 DDEDLN N#Cc1cnccc1NCCCNC(=O)[C@H](F)C(F)(F)F ZINC001094845841 776468266 /nfs/dbraw/zinc/46/82/66/776468266.db2.gz JUYCHNUKKCVIFX-JTQLQIEISA-N 0 2 304.247 1.194 20 30 DDEDLN CCN(CCNC(=O)C(F)C(F)(F)F)c1ccc(C#N)nn1 ZINC001100748205 776496374 /nfs/dbraw/zinc/49/63/74/776496374.db2.gz SLAODAGQCSKNRR-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN CCN(CCNC(=O)[C@@H](F)C(F)(F)F)c1ccc(C#N)nn1 ZINC001100748205 776496378 /nfs/dbraw/zinc/49/63/78/776496378.db2.gz SLAODAGQCSKNRR-SNVBAGLBSA-N 0 2 319.262 1.191 20 30 DDEDLN CCOC(=O)[C@@H]1COCCN1C(=O)[C@H](C#N)Cc1cccs1 ZINC001177912257 778780989 /nfs/dbraw/zinc/78/09/89/778780989.db2.gz NFBKYLGQSGLMLZ-AAEUAGOBSA-N 0 2 322.386 1.221 20 30 DDEDLN COC(=O)[C@]1(C)COCCN1C(=O)[C@H](C#N)Cc1cccs1 ZINC001177912024 778781044 /nfs/dbraw/zinc/78/10/44/778781044.db2.gz KVLHDZWUGQOMLP-NHYWBVRUSA-N 0 2 322.386 1.221 20 30 DDEDLN COCCc1cc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)n(C)n1 ZINC001411895339 853945537 /nfs/dbraw/zinc/94/55/37/853945537.db2.gz FDQSDPITYANZSL-UHFFFAOYSA-N 0 2 315.333 1.142 20 30 DDEDLN Cc1cc(C#N)c(=O)[nH]c1C(=O)Nc1ccc2c(c1)C(=O)NCC2 ZINC001413038960 856018507 /nfs/dbraw/zinc/01/85/07/856018507.db2.gz GEUWBRRAAKUPCH-UHFFFAOYSA-N 0 2 322.324 1.506 20 30 DDEDLN CC#CCCNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001329963855 863976579 /nfs/dbraw/zinc/97/65/79/863976579.db2.gz CUNOWCAQLNJWCO-UHFFFAOYSA-N 0 2 302.252 1.601 20 30 DDEDLN C=CCOCC(COCC=C)Oc1nc(Cl)cc(=O)[nH]1 ZINC001225556992 881902691 /nfs/dbraw/zinc/90/26/91/881902691.db2.gz ATZWVPGBRHCCEC-UHFFFAOYSA-N 0 2 300.742 1.988 20 30 DDEDLN N#C[C@H](C(=O)C=Cc1ccncn1)c1nc(N)c2ccccc2n1 ZINC001341803989 871833481 /nfs/dbraw/zinc/83/34/81/871833481.db2.gz HIMDEYKRQXQXDF-URWSZGRFSA-N 0 2 316.324 1.892 20 30 DDEDLN N#CCCc1ccc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1 ZINC001361957679 882708744 /nfs/dbraw/zinc/70/87/44/882708744.db2.gz REMAWOPTWVDKGQ-UHFFFAOYSA-N 0 2 322.328 1.166 20 30 DDEDLN Cn1nnc(NS(=O)(=O)c2c(C#N)sc3ccccc32)n1 ZINC001213603303 875994508 /nfs/dbraw/zinc/99/45/08/875994508.db2.gz VJDWBAIOIGWAHI-UHFFFAOYSA-N 0 2 320.359 1.097 20 30 DDEDLN C#CCN(CC#CC)c1nnc(-c2n[nH]c(Cl)n2)n1CC=C ZINC001352092828 876593236 /nfs/dbraw/zinc/59/32/36/876593236.db2.gz CJGIICQPCLOFRO-UHFFFAOYSA-N 0 2 315.768 1.366 20 30 DDEDLN C=CCn1c(-c2n[nH]c(Cl)n2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001356152418 878891261 /nfs/dbraw/zinc/89/12/61/878891261.db2.gz DCROGIZTNBZJEI-GFCCVEGCSA-N 0 2 322.735 1.345 20 30 DDEDLN CC(C)C#CC(=O)NCCN(C(=O)C(F)C(F)(F)F)C1CC1 ZINC001356611287 879129389 /nfs/dbraw/zinc/12/93/89/879129389.db2.gz IRBHSWNTZQUCTL-GFCCVEGCSA-N 0 2 322.302 1.653 20 30 DDEDLN CC(C)C#CC(=O)NCCN(C(=O)[C@@H](F)C(F)(F)F)C1CC1 ZINC001356611287 879129398 /nfs/dbraw/zinc/12/93/98/879129398.db2.gz IRBHSWNTZQUCTL-GFCCVEGCSA-N 0 2 322.302 1.653 20 30 DDEDLN Cn1cc(-c2n[nH]cc2C(=O)[C@@H](C#N)c2cccc(F)n2)cn1 ZINC001357639623 880106433 /nfs/dbraw/zinc/10/64/33/880106433.db2.gz NFKUQGGDMJROOO-JTQLQIEISA-N 0 2 310.292 1.834 20 30 DDEDLN CCc1nc([C@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)cs1 ZINC001363153521 885594949 /nfs/dbraw/zinc/59/49/49/885594949.db2.gz VEDGGAJTLOJMGH-ZETCQYMHSA-N 0 2 305.363 1.137 20 30 DDEDLN O=C(CCC(F)(F)F)NC1CN(C(=O)C(F)C(F)(F)F)C1 ZINC001374620473 913446500 /nfs/dbraw/zinc/44/65/00/913446500.db2.gz GBFBCOVBWPSKJE-ZETCQYMHSA-N 0 2 324.196 1.556 20 30 DDEDLN O=C(CCC(F)(F)F)NC1CN(C(=O)[C@H](F)C(F)(F)F)C1 ZINC001374620473 913446505 /nfs/dbraw/zinc/44/65/05/913446505.db2.gz GBFBCOVBWPSKJE-ZETCQYMHSA-N 0 2 324.196 1.556 20 30 DDEDLN N#C[C@H]1CN(S(=O)(=O)c2ccc(F)c(Cl)c2)CCC1=O ZINC001254917936 896656837 /nfs/dbraw/zinc/65/68/37/896656837.db2.gz YAUSAERNFNMXFH-QMMMGPOBSA-N 0 2 316.741 1.582 20 30 DDEDLN COC(=O)CS(=O)(=O)Nc1ccc2nc(C#N)sc2c1 ZINC001259024868 898422367 /nfs/dbraw/zinc/42/23/67/898422367.db2.gz JJIUBSIKVBYMIA-UHFFFAOYSA-N 0 2 311.344 1.083 20 30 DDEDLN Cn1cnc(C#N)c1NS(=O)(=O)c1cnc2ccccc2c1 ZINC001260005375 899008726 /nfs/dbraw/zinc/00/87/26/899008726.db2.gz BTCYUQNAOYKOLN-UHFFFAOYSA-N 0 2 313.342 1.641 20 30 DDEDLN N#Cc1nc2ccc(NS(=O)(=O)c3cn[nH]c3)cc2s1 ZINC001260960800 899299130 /nfs/dbraw/zinc/29/91/30/899299130.db2.gz OOFFEDMWVJDOLC-UHFFFAOYSA-N 0 2 305.344 1.692 20 30 DDEDLN C=CCCC(=O)N(CCC)C1CC[NH+](Cc2n[nH]c(=O)[n-]2)CC1 ZINC001265337711 901901308 /nfs/dbraw/zinc/90/13/08/901901308.db2.gz SRJPJQOSIZEMDO-UHFFFAOYSA-N 0 2 321.425 1.680 20 30 DDEDLN COc1ncccc1NS(=O)(=O)c1ccc(C#N)cc1F ZINC000158053872 290737143 /nfs/dbraw/zinc/73/71/43/290737143.db2.gz INRGPJCOYAVPNI-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN C#CCOc1ccc(F)cc1NS(=O)(=O)C[C@@H]1CCCO1 ZINC000172813624 198152792 /nfs/dbraw/zinc/15/27/92/198152792.db2.gz MOGJDQDFFZOOMZ-LBPRGKRZSA-N 0 2 313.350 1.758 20 30 DDEDLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)[C@@H]1COCCO1 ZINC000081731413 353689233 /nfs/dbraw/zinc/68/92/33/353689233.db2.gz WFLFTJKYICHFKH-VIFPVBQESA-N 0 2 310.260 1.753 20 30 DDEDLN CN(C)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2F)cn1 ZINC000125485032 354046383 /nfs/dbraw/zinc/04/63/83/354046383.db2.gz FUVURXGBSLOUCT-UHFFFAOYSA-N 0 2 320.349 1.959 20 30 DDEDLN CCOc1cccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)n1 ZINC000589975563 355036057 /nfs/dbraw/zinc/03/60/57/355036057.db2.gz VKQIZRZRHCBDSQ-UHFFFAOYSA-N 0 2 318.358 1.856 20 30 DDEDLN Cc1cccc2c1ncc(C#N)c2NCCCc1n[nH]c(=O)[nH]1 ZINC000610550400 360466748 /nfs/dbraw/zinc/46/67/48/360466748.db2.gz RUTNYGXQNQWXDW-UHFFFAOYSA-N 0 2 308.345 1.705 20 30 DDEDLN COC(=O)[C@H]1CC[C@H](C(=O)Nc2nc(C#N)c(C#N)[nH]2)CC1 ZINC000281455375 216311661 /nfs/dbraw/zinc/31/16/61/216311661.db2.gz GGPVHBIKNRQXSZ-KYZUINATSA-N 0 2 301.306 1.071 20 30 DDEDLN N#CCc1cccc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)c1 ZINC000619463230 364024013 /nfs/dbraw/zinc/02/40/13/364024013.db2.gz UZHOHEJEOAKWBT-UHFFFAOYSA-N 0 2 313.342 1.825 20 30 DDEDLN N#Cc1nc(NC(=O)COc2ccc(Cl)cc2)[nH]c1C#N ZINC000026273375 248183026 /nfs/dbraw/zinc/18/30/26/248183026.db2.gz WFWCDLULEGVVDK-UHFFFAOYSA-N 0 2 301.693 1.824 20 30 DDEDLN Cn1c[nH+]cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000177242353 408561440 /nfs/dbraw/zinc/56/14/40/408561440.db2.gz AXEFQNJTWZEIRZ-UHFFFAOYSA-N 0 2 309.417 2.000 20 30 DDEDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C#N)cn1 ZINC000161674738 408625155 /nfs/dbraw/zinc/62/51/55/408625155.db2.gz GBWXXSXHAZJQDZ-UHFFFAOYSA-N 0 2 318.314 1.971 20 30 DDEDLN COCc1csc(NS(=O)(=O)c2cncc(C#N)c2)n1 ZINC000357380803 164140452 /nfs/dbraw/zinc/14/04/52/164140452.db2.gz CHBXDINXZVGVOB-UHFFFAOYSA-N 0 2 310.360 1.357 20 30 DDEDLN CC1=C(C)C[C@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)CC1 ZINC000408496112 164349949 /nfs/dbraw/zinc/34/99/49/164349949.db2.gz GHKUZEXECGAWTO-CYBMUJFWSA-N 0 2 319.386 1.895 20 30 DDEDLN C[C@H]1CCCC[C@@H]1C(=O)NS(=O)(=O)c1cncc(C#N)c1 ZINC000408504913 164353683 /nfs/dbraw/zinc/35/36/83/164353683.db2.gz ZRFLWSHYBHEDHP-GWCFXTLKSA-N 0 2 307.375 1.584 20 30 DDEDLN N#Cc1cncc(S(=O)(=O)Nc2cccc3c2OCCO3)c1 ZINC000357086951 409860343 /nfs/dbraw/zinc/86/03/43/409860343.db2.gz RWJJGRKOQQPRTR-UHFFFAOYSA-N 0 2 317.326 1.525 20 30 DDEDLN CN1CCOC[C@H]1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000329125684 410115787 /nfs/dbraw/zinc/11/57/87/410115787.db2.gz MKDCXBMQWPIUSP-NSHDSACASA-N 0 2 303.322 1.096 20 30 DDEDLN CC[N@@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000329744900 410430452 /nfs/dbraw/zinc/43/04/52/410430452.db2.gz YCQSNJMLNCIXJP-FRRDWIJNSA-N 0 2 305.426 1.596 20 30 DDEDLN CC[N@H+]1C[C@H](C)N(C([O-])=[NH+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000329744900 410430460 /nfs/dbraw/zinc/43/04/60/410430460.db2.gz YCQSNJMLNCIXJP-FRRDWIJNSA-N 0 2 305.426 1.596 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cc1F ZINC000352877736 410683423 /nfs/dbraw/zinc/68/34/23/410683423.db2.gz QHUYKHGYPIIJTH-UHFFFAOYSA-N 0 2 307.306 1.902 20 30 DDEDLN Cc1ccc(N2CCC(=C([O-])[NH+]=C3C[C@H](C)ON3)C2=O)cc1 ZINC000372326853 418855610 /nfs/dbraw/zinc/85/56/10/418855610.db2.gz VYHXMQNUKAOZOH-WCQYABFASA-N 0 2 301.346 1.586 20 30 DDEDLN C[C@H](c1cccc(C#N)c1)N(C)C(=O)CSc1n[nH]c(=O)[nH]1 ZINC000425131542 228370268 /nfs/dbraw/zinc/37/02/68/228370268.db2.gz PVAQNCNUUSRIKT-SECBINFHSA-N 0 2 317.374 1.694 20 30 DDEDLN Cn1ncc(C#N)c1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427744093 419726253 /nfs/dbraw/zinc/72/62/53/419726253.db2.gz KYNLEEXDIIVNNO-UHFFFAOYSA-N 0 2 305.294 1.103 20 30 DDEDLN Cc1ncc(S(=O)(=O)Nc2ccc3nncn3c2)cc1C#N ZINC000427791232 419734749 /nfs/dbraw/zinc/73/47/49/419734749.db2.gz WLNRKHHCPKWZPZ-UHFFFAOYSA-N 0 2 314.330 1.105 20 30 DDEDLN C=C[C@@H]1CCCCN1C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000428042714 419800658 /nfs/dbraw/zinc/80/06/58/419800658.db2.gz VPNLEKZKDOHQIM-SNVBAGLBSA-N 0 2 300.318 1.617 20 30 DDEDLN Cn1ncc2c1[nH]cc(C(=O)N1CCCC(C)(C)[C@@H]1C#N)c2=O ZINC000434436822 229296288 /nfs/dbraw/zinc/29/62/88/229296288.db2.gz LLPOKAPQOXQMTO-LBPRGKRZSA-N 0 2 313.361 1.828 20 30 DDEDLN C=CCC[C@H](CO)NC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000456762545 420539167 /nfs/dbraw/zinc/53/91/67/420539167.db2.gz CFHFYYKSMXDFRP-GFCCVEGCSA-N 0 2 319.336 1.774 20 30 DDEDLN COCCn1cc(S(=O)(=O)Nc2ccc(C#N)cc2)cn1 ZINC000439046129 420476884 /nfs/dbraw/zinc/47/68/84/420476884.db2.gz WFVKUQNXIMWBKE-UHFFFAOYSA-N 0 2 306.347 1.202 20 30 DDEDLN C[C@]1(Br)C[C@H]1C(=O)[C@H](C#N)C(=O)NC1CCCC1 ZINC000528925498 421524817 /nfs/dbraw/zinc/52/48/17/421524817.db2.gz XEOIOJRYDWVFSO-KWBADKCTSA-N 0 2 313.195 1.928 20 30 DDEDLN C[C@]1(Br)C[C@H]1C(=O)C(C#N)C(=O)NC1CCCC1 ZINC000528925498 421524824 /nfs/dbraw/zinc/52/48/24/421524824.db2.gz XEOIOJRYDWVFSO-KWBADKCTSA-N 0 2 313.195 1.928 20 30 DDEDLN C=CCC[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(=O)[O-] ZINC000630182587 421941384 /nfs/dbraw/zinc/94/13/84/421941384.db2.gz OFMKTINVNLFJTK-ZIAGYGMSSA-N 0 2 310.394 1.165 20 30 DDEDLN C=CCC[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(=O)[O-] ZINC000630182587 421941388 /nfs/dbraw/zinc/94/13/88/421941388.db2.gz OFMKTINVNLFJTK-ZIAGYGMSSA-N 0 2 310.394 1.165 20 30 DDEDLN CC(C)Cn1cnc(S(=O)(=O)Nc2ncc(C#N)s2)c1 ZINC000610725134 422471978 /nfs/dbraw/zinc/47/19/78/422471978.db2.gz HMCORZXXKZYCAO-UHFFFAOYSA-N 0 2 311.392 1.668 20 30 DDEDLN N#Cc1nc(NC(=O)[C@H]2C[C@]23CCc2ccccc23)[nH]c1C#N ZINC000266541391 303216805 /nfs/dbraw/zinc/21/68/05/303216805.db2.gz LHVCOTZBQVHQII-PXAZEXFGSA-N 0 2 303.325 1.996 20 30 DDEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)c3cn(C(C)C)nn3)nc21 ZINC000562383266 332587163 /nfs/dbraw/zinc/58/71/63/332587163.db2.gz XQCHIVSWOVXHMQ-SNVBAGLBSA-N 0 2 309.333 1.929 20 30 DDEDLN C=C[C@@H]1OCC[C@H]1CNc1cc(C(C)(C)C)[nH+]c(C(=O)[O-])n1 ZINC000571169265 333675445 /nfs/dbraw/zinc/67/54/45/333675445.db2.gz LEKNXZGZJJXFGE-QWRGUYRKSA-N 0 2 305.378 1.897 20 30 DDEDLN C=C[C@@H](C)ONC(=O)CN(CCOC)C(=O)OC(C)(C)C ZINC000496232415 340001099 /nfs/dbraw/zinc/00/10/99/340001099.db2.gz GHWONSLLDWEWBI-LLVKDONJSA-N 0 2 302.371 1.492 20 30 DDEDLN COc1cccc(S(O)=CC(=O)N2CCC(C)(C#N)CC2)c1 ZINC000424793941 533814397 /nfs/dbraw/zinc/81/43/97/533814397.db2.gz SXBDQUOWJDZLDQ-JOCHJYFZSA-N 0 2 320.414 1.955 20 30 DDEDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)s2)cn1 ZINC000435478794 534227915 /nfs/dbraw/zinc/22/79/15/534227915.db2.gz WSLMQRRTBITNSW-UHFFFAOYSA-N 0 2 323.355 1.602 20 30 DDEDLN CC(C)N1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1=O ZINC000330615587 529072001 /nfs/dbraw/zinc/07/20/01/529072001.db2.gz UORAIEFFUCSNLO-NSHDSACASA-N 0 2 307.306 1.614 20 30 DDEDLN COc1c(C)c[nH+]c(CN(C)C(=O)[C@@](C)(C#N)CC(=O)[O-])c1C ZINC000820754788 597640264 /nfs/dbraw/zinc/64/02/64/597640264.db2.gz OOBYRTMENUAEPB-MRXNPFEDSA-N 0 2 319.361 1.670 20 30 DDEDLN C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736080356 600101862 /nfs/dbraw/zinc/10/18/62/600101862.db2.gz UQBYGJRDALIWAK-HNNXBMFYSA-N 0 2 300.358 1.740 20 30 DDEDLN C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000736080356 600101863 /nfs/dbraw/zinc/10/18/63/600101863.db2.gz UQBYGJRDALIWAK-HNNXBMFYSA-N 0 2 300.358 1.740 20 30 DDEDLN COc1cc(C#N)ccc1OCC[NH+]1CCN(C(=O)[O-])CC1 ZINC000737843966 603407922 /nfs/dbraw/zinc/40/79/22/603407922.db2.gz CPEQMUQXXSKFNH-UHFFFAOYSA-N 0 2 305.334 1.241 20 30 DDEDLN Cc1cc(C(=O)C(C#N)=C([O-])c2[nH+]ccn2C)nn1C(C)(C)C ZINC000123322653 696730489 /nfs/dbraw/zinc/73/04/89/696730489.db2.gz OAAYTADOKMFQKC-LLVKDONJSA-N 0 2 313.361 1.885 20 30 DDEDLN C#CCOc1cccc(NS(=O)(=O)c2cnn(CC)c2)c1 ZINC000108250249 696632985 /nfs/dbraw/zinc/63/29/85/696632985.db2.gz SERQLWYDQGVXNY-UHFFFAOYSA-N 0 2 305.359 1.716 20 30 DDEDLN C=CCn1c(=O)c2ccc(C(=O)NCC#CC)cc2[nH]c1=S ZINC000154500709 696933069 /nfs/dbraw/zinc/93/30/69/696933069.db2.gz UTKNFAUSAHHBCE-UHFFFAOYSA-N 0 2 313.382 1.624 20 30 DDEDLN C=CCOc1ccc(C(=O)OCc2n[nH]c(=O)[nH]2)cc1OC ZINC000774910714 697941177 /nfs/dbraw/zinc/94/11/77/697941177.db2.gz WEJWBJJGTVYQMN-UHFFFAOYSA-N 0 2 305.290 1.441 20 30 DDEDLN C#CCSCCNC(=O)c1cn[nH]c1-c1cnn(CC)c1 ZINC000778905477 698381272 /nfs/dbraw/zinc/38/12/72/698381272.db2.gz IEXCATFQEHBWTE-UHFFFAOYSA-N 0 2 303.391 1.389 20 30 DDEDLN CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)OCC(F)(F)F ZINC000750944281 700259808 /nfs/dbraw/zinc/25/98/08/700259808.db2.gz QXGRSLVJRDESPE-UHFFFAOYSA-N 0 2 316.257 1.162 20 30 DDEDLN Cc1cccc2[nH]c([C@H](C#N)C(=O)COCc3ccnn3C)nc21 ZINC000793156553 699735839 /nfs/dbraw/zinc/73/58/39/699735839.db2.gz QOSRXIDAEQTJGA-CYBMUJFWSA-N 0 2 323.356 1.998 20 30 DDEDLN Cc1cccc2nc([C@H](C#N)C(=O)COCc3ccnn3C)[nH]c21 ZINC000793156553 699735842 /nfs/dbraw/zinc/73/58/42/699735842.db2.gz QOSRXIDAEQTJGA-CYBMUJFWSA-N 0 2 323.356 1.998 20 30 DDEDLN COc1ccc(S(=O)(=O)Nc2cc(C#N)ccc2O)cn1 ZINC000795326499 699858788 /nfs/dbraw/zinc/85/87/88/699858788.db2.gz NGEDTXVGMRTVCN-UHFFFAOYSA-N 0 2 305.315 1.468 20 30 DDEDLN N#CC(C(=O)[C@@H]1CCCCN1C(=O)c1ccco1)c1ccncn1 ZINC000760339409 700803168 /nfs/dbraw/zinc/80/31/68/700803168.db2.gz JEUBEDJSNLQDIG-JSGCOSHPSA-N 0 2 324.340 1.941 20 30 DDEDLN C=CCNC(=O)c1cccc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)c1 ZINC000842492011 702728711 /nfs/dbraw/zinc/72/87/11/702728711.db2.gz VBFMMFFMKSPNAG-VXGBXAGGSA-N 0 2 314.301 1.785 20 30 DDEDLN Cc1cccc2[nH]c(C(C#N)C(=O)[C@@H]3CC[C@H](C(N)=O)O3)nc21 ZINC000860555345 705219713 /nfs/dbraw/zinc/21/97/13/705219713.db2.gz IQKBBFGZUSHNJJ-ADEWGFFLSA-N 0 2 312.329 1.081 20 30 DDEDLN Cc1cccc2[nH]c([C@H](C#N)C(=O)[C@@H]3CC[C@H](C(N)=O)O3)nc21 ZINC000860555345 705219716 /nfs/dbraw/zinc/21/97/16/705219716.db2.gz IQKBBFGZUSHNJJ-ADEWGFFLSA-N 0 2 312.329 1.081 20 30 DDEDLN Cc1cccc2nc(C(C#N)C(=O)[C@@H]3CC[C@H](C(N)=O)O3)[nH]c21 ZINC000860555345 705219719 /nfs/dbraw/zinc/21/97/19/705219719.db2.gz IQKBBFGZUSHNJJ-ADEWGFFLSA-N 0 2 312.329 1.081 20 30 DDEDLN C#CC[C@@H](CCOC)NC(=O)C1=NN(c2ccccc2)CC1=O ZINC000863781277 706009500 /nfs/dbraw/zinc/00/95/00/706009500.db2.gz KDTCBNUFYWBTGV-ZDUSSCGKSA-N 0 2 313.357 1.736 20 30 DDEDLN C=CCC(F)(F)C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 ZINC000830796270 706581248 /nfs/dbraw/zinc/58/12/48/706581248.db2.gz ZBNJCFQEHFZNNW-JTQLQIEISA-N 0 2 314.254 1.867 20 30 DDEDLN C#CCOc1ccc(F)cc1NS(=O)(=O)C1(COC)CC1 ZINC000882707599 707755253 /nfs/dbraw/zinc/75/52/53/707755253.db2.gz LMRWGPDQXIWAQI-UHFFFAOYSA-N 0 2 313.350 1.758 20 30 DDEDLN C=C(Cl)C[C@H](NC(=O)NCCCn1cc[nH+]c1)C(=O)[O-] ZINC000908737953 712844765 /nfs/dbraw/zinc/84/47/65/712844765.db2.gz PMMGQKCKQSMKFO-JTQLQIEISA-N 0 2 300.746 1.168 20 30 DDEDLN Cc1cc([C@H](C#N)C(=O)[C@@H](C)NC(=O)C2CCCC2)nc(C)n1 ZINC000916880715 713472206 /nfs/dbraw/zinc/47/22/06/713472206.db2.gz UUIGHRVRLZGXHT-RISCZKNCSA-N 0 2 314.389 1.965 20 30 DDEDLN