smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C[C@H](C)NC(=O)c1cn[n-]n1)Nc1ccc(C#N)nn1 ZINC001089508789 751422041 /nfs/dbraw/zinc/42/20/41/751422041.db2.gz PRLQXWDWCKADEB-BDAKNGLRSA-N -1 3 300.326 0.475 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CCN(c2ncccc2C#N)C1 ZINC001058521665 746959250 /nfs/dbraw/zinc/95/92/50/746959250.db2.gz QSAFDEKZMAFKRF-GFCCVEGCSA-N -1 3 324.344 0.766 20 30 DCEDHM CC(C)C[C@@H](CNc1ccnc(C#N)n1)NC(=O)c1cn[n-]n1 ZINC001105005612 748002606 /nfs/dbraw/zinc/00/26/06/748002606.db2.gz CCOVUPXFZHARAH-JTQLQIEISA-N -1 3 314.353 0.145 20 30 DCEDHM C=C(C)CN1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H]1C ZINC001088789266 750013908 /nfs/dbraw/zinc/01/39/08/750013908.db2.gz FAESZOYUNFZYQM-PWSUYJOCSA-N -1 3 306.366 0.255 20 30 DCEDHM C#CCCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cn[n-]n2)C1 ZINC001071930125 762234918 /nfs/dbraw/zinc/23/49/18/762234918.db2.gz XZOPMLUUQCIYGF-DGCLKSJQSA-N -1 3 303.366 0.575 20 30 DCEDHM C#CCCCC(=O)N1C[C@@H](C)[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001071991249 762282080 /nfs/dbraw/zinc/28/20/80/762282080.db2.gz HZTFEBHIWVKPGO-DGCLKSJQSA-N -1 3 316.361 0.562 20 30 DCEDHM C#CCCCC(=O)N1C[C@H](NC(=O)c2cnc[n-]c2=O)[C@@H](C)C1 ZINC001071991247 762282141 /nfs/dbraw/zinc/28/21/41/762282141.db2.gz HZTFEBHIWVKPGO-AAEUAGOBSA-N -1 3 316.361 0.562 20 30 DCEDHM O=C(C#CC1CC1)NCC1(NC(=O)c2cnc[n-]c2=O)CCC1 ZINC001062979563 755064984 /nfs/dbraw/zinc/06/49/84/755064984.db2.gz ADXCIHJIECXJPE-UHFFFAOYSA-N -1 3 314.345 0.364 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)N1CCC[C@H]2[C@H]1CCN2CC#N ZINC001049657714 755351233 /nfs/dbraw/zinc/35/12/33/755351233.db2.gz DGKXJMMQVDLFJU-NWDGAFQWSA-N -1 3 301.350 0.693 20 30 DCEDHM C=CCC[C@@H](C)N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1 ZINC001113583535 762403563 /nfs/dbraw/zinc/40/35/63/762403563.db2.gz QSULVWTVYZLEQG-LLVKDONJSA-N -1 3 309.370 0.188 20 30 DCEDHM C=C(Cl)CN1CC[C@@H](NC(=O)c2cnc[n-]c2=O)[C@@H](O)C1 ZINC001090350495 755633878 /nfs/dbraw/zinc/63/38/78/755633878.db2.gz WPUNGGLSLMYHGV-MNOVXSKESA-N -1 3 312.757 0.100 20 30 DCEDHM C=CCCC(=O)N(CC)C1CN(C(=O)c2cnc[n-]c2=O)C1 ZINC001079473933 755862562 /nfs/dbraw/zinc/86/25/62/755862562.db2.gz FTIRLWVXHVYZDQ-UHFFFAOYSA-N -1 3 304.350 0.821 20 30 DCEDHM C=C(Cl)CN1CC2(C1)CN(C(=O)c1cnc[n-]c1=O)CCO2 ZINC001053301181 755995255 /nfs/dbraw/zinc/99/52/55/755995255.db2.gz JLMDZCDHKKQPNR-UHFFFAOYSA-N -1 3 324.768 0.462 20 30 DCEDHM C#CCN1Cc2ccccc2C[C@@H]1CNC(=O)c1cnc[n-]c1=O ZINC001054043944 756345965 /nfs/dbraw/zinc/34/59/65/756345965.db2.gz OVGLBSZPPFQDLS-OAHLLOKOSA-N -1 3 322.368 0.972 20 30 DCEDHM C=CCCC(=O)NC[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001081333829 756578000 /nfs/dbraw/zinc/57/80/00/756578000.db2.gz YFMOZMFXVAYPCD-DOMZBBRYSA-N -1 3 318.373 0.908 20 30 DCEDHM Cc1cc(C#N)nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn[n-]n2)C3)n1 ZINC001055253447 756766162 /nfs/dbraw/zinc/76/61/62/756766162.db2.gz XRCTXWLCTKTWEM-MDZLAQPJSA-N -1 3 324.348 0.315 20 30 DCEDHM C=C(Cl)CN1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001081835808 756811282 /nfs/dbraw/zinc/81/12/82/756811282.db2.gz NNQJXIBLOHQSEK-GHMZBOCLSA-N -1 3 312.757 0.364 20 30 DCEDHM CC(C)(C)OC(=O)N1CC(C)(C(=O)N[C@H]2CCN([O-])C2=O)C1 ZINC001119894544 758147714 /nfs/dbraw/zinc/14/77/14/758147714.db2.gz IKARRAVFVIOWTG-VIFPVBQESA-N -1 3 313.354 0.350 20 30 DCEDHM Cc1ccc(C#N)c(N2CC[C@](C)(NC(=O)c3cn[n-]n3)C2)n1 ZINC001065359494 758370812 /nfs/dbraw/zinc/37/08/12/758370812.db2.gz ZMMPCAUKFRVXQC-HNNXBMFYSA-N -1 3 311.349 0.779 20 30 DCEDHM CN(C[C@@H]1CCN1CC#N)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001085656100 759161258 /nfs/dbraw/zinc/16/12/58/759161258.db2.gz GLEJIIWFONNFPQ-NSHDSACASA-N -1 3 301.350 0.729 20 30 DCEDHM C=CCCN1CC[C@@H]1CN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001085860818 759397198 /nfs/dbraw/zinc/39/71/98/759397198.db2.gz IZZRNXPEUMZZRY-GFCCVEGCSA-N -1 3 315.377 0.745 20 30 DCEDHM C[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)CCN1c1ccc(C#N)nc1 ZINC001067580222 760053724 /nfs/dbraw/zinc/05/37/24/760053724.db2.gz BIJPJCMKEQKQTB-QWRGUYRKSA-N -1 3 311.349 0.859 20 30 DCEDHM C[C@H](C#N)C(=O)N(C)CCCN(C)C(=O)c1cnc[n-]c1=O ZINC001067694496 760099088 /nfs/dbraw/zinc/09/90/88/760099088.db2.gz DLJYGHCTSQOTBV-SNVBAGLBSA-N -1 3 305.338 0.262 20 30 DCEDHM C[C@@H]1[C@@H](NC(=O)c2cn[n-]n2)CCCN1c1ccc(C#N)nn1 ZINC001069420914 760765728 /nfs/dbraw/zinc/76/57/28/760765728.db2.gz YFHNOBCOQRYZNL-KOLCDFICSA-N -1 3 312.337 0.254 20 30 DCEDHM C[C@H]1[C@@H](NC(=O)c2cn[n-]n2)CCCN1c1ncccc1C#N ZINC001069420706 760766152 /nfs/dbraw/zinc/76/61/52/760766152.db2.gz VAPDQKYSYRPVSU-JQWIXIFHSA-N -1 3 311.349 0.859 20 30 DCEDHM N#Cc1nccnc1N1CC=C(CNC(=O)c2cn[n-]n2)CC1 ZINC001069834639 760878064 /nfs/dbraw/zinc/87/80/64/760878064.db2.gz GGUSKHAHTSQQTO-UHFFFAOYSA-N -1 3 310.321 0.033 20 30 DCEDHM N#CCN1C[C@@H](NC(=O)c2ccccc2[O-])[C@@H](n2ccnn2)C1 ZINC001069896952 760942032 /nfs/dbraw/zinc/94/20/32/760942032.db2.gz RDCOHRZXVWSZFV-OLZOCXBDSA-N -1 3 312.333 0.163 20 30 DCEDHM C#CCCCC(=O)NCC1(NC(=O)c2cn[n-]n2)CCOCC1 ZINC001070163292 761115370 /nfs/dbraw/zinc/11/53/70/761115370.db2.gz GSLSRTSLHWTPMT-UHFFFAOYSA-N -1 3 319.365 0.003 20 30 DCEDHM C#CCCCCC(=O)N1CCC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001070637661 761366232 /nfs/dbraw/zinc/36/62/32/761366232.db2.gz YHIJXWYPEVAZDY-GFCCVEGCSA-N -1 3 303.366 0.719 20 30 DCEDHM C#CCN1CC[C@@]2(C1)CN(C(=O)c1ncccc1[O-])C[C@H](C)O2 ZINC001071162277 761673661 /nfs/dbraw/zinc/67/36/61/761673661.db2.gz SUPFMPDLNNOCGW-SUMWQHHRSA-N -1 3 315.373 0.726 20 30 DCEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(C(=O)N2CCCC2)cn1 ZINC001171362562 768119507 /nfs/dbraw/zinc/11/95/07/768119507.db2.gz GIXYGCSGQXYQBH-GWCFXTLKSA-N -1 3 304.350 0.966 20 30 DCEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc(=O)n(-c2ccccn2)c1 ZINC001171369094 768146003 /nfs/dbraw/zinc/14/60/03/768146003.db2.gz PPOROKOMHMECLA-HZMBPMFUSA-N -1 3 300.318 0.881 20 30 DCEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)NCCCN1CCN(C)CC1 ZINC001135877141 766149670 /nfs/dbraw/zinc/14/96/70/766149670.db2.gz BUTWHGCPRBWYLC-UHFFFAOYSA-N -1 3 317.393 0.335 20 30 DCEDHM C[C@H](C[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)NCC#N ZINC001135967831 766189702 /nfs/dbraw/zinc/18/97/02/766189702.db2.gz ZBALLKUHQCUOSX-NXEZZACHSA-N -1 3 314.345 0.580 20 30 DCEDHM C#CCN(CC#C)c1nnc(-c2nnc(Cl)[n-]2)n1CCOC ZINC001122357181 767782206 /nfs/dbraw/zinc/78/22/06/767782206.db2.gz DJNJQUUVQTZUFL-UHFFFAOYSA-N -1 3 319.756 0.436 20 30 DCEDHM C#CCN(CC#C)c1nnc(-c2n[n-]c(Cl)n2)n1CCOC ZINC001122357181 767782212 /nfs/dbraw/zinc/78/22/12/767782212.db2.gz DJNJQUUVQTZUFL-UHFFFAOYSA-N -1 3 319.756 0.436 20 30 DCEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cn2c(n1)COCC2 ZINC001122515897 767822057 /nfs/dbraw/zinc/82/20/57/767822057.db2.gz PPYPFSOKPIGZKG-JTQLQIEISA-N -1 3 311.301 0.769 20 30 DCEDHM Cc1nc(NCCCNC(=O)c2cnc[n-]c2=O)ccc1C#N ZINC001094643173 769155298 /nfs/dbraw/zinc/15/52/98/769155298.db2.gz YSXYVLPRFXWFBU-UHFFFAOYSA-N -1 3 312.333 0.989 20 30 DCEDHM CN1CCO[C@H](COc2[n-]c(=O)nc3cccc(C#N)c32)C1=O ZINC001234512836 769680989 /nfs/dbraw/zinc/68/09/89/769680989.db2.gz FVWKYEDKIDJJFA-LLVKDONJSA-N -1 3 314.301 0.443 20 30 DCEDHM N#CCc1cc(NC(=O)Cn2cc(F)c(=O)[n-]c2=O)ccc1F ZINC001183662362 771688676 /nfs/dbraw/zinc/68/86/76/771688676.db2.gz MPWVJQQWPXOQHZ-UHFFFAOYSA-N -1 3 320.255 0.932 20 30 DCEDHM C=CC[C@@H](Nc1ncnc2[n-]cc(S(C)(=O)=O)c21)C(=O)OC ZINC001158858421 771828634 /nfs/dbraw/zinc/82/86/34/771828634.db2.gz PVCLQKAXGIONEF-MRVPVSSYSA-N -1 3 324.362 0.891 20 30 DCEDHM Cc1cc(C2(C(=O)N[C@H]3CCN([O-])C3=O)CCOCC2)on1 ZINC001159331687 771897231 /nfs/dbraw/zinc/89/72/31/771897231.db2.gz SMWDNBFVGRYMMB-JTQLQIEISA-N -1 3 309.322 0.138 20 30 DCEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1nc(C(N)=O)cc2ccccc21 ZINC001160176133 772004962 /nfs/dbraw/zinc/00/49/62/772004962.db2.gz HDTAGWONGMNUQT-UFBFGSQYSA-N -1 3 300.318 0.982 20 30 DCEDHM C#Cc1cnc(NC(=O)c2[n-]nnc2C(F)(F)F)c(C#C)n1 ZINC001187758718 772223814 /nfs/dbraw/zinc/22/38/14/772223814.db2.gz DROIONCZMXDWBL-UHFFFAOYSA-N -1 3 306.207 0.828 20 30 DCEDHM C#Cc1cnc(NC(=O)c2nn[n-]c2C(F)(F)F)c(C#C)n1 ZINC001187758718 772223817 /nfs/dbraw/zinc/22/38/17/772223817.db2.gz DROIONCZMXDWBL-UHFFFAOYSA-N -1 3 306.207 0.828 20 30 DCEDHM COC(=O)c1ccc(NC(=O)N[C@@H]2C(=O)N([O-])C[C@@H]2C)cc1 ZINC001187813671 772229358 /nfs/dbraw/zinc/22/93/58/772229358.db2.gz SKGRELMHTHNHAU-KWQFWETISA-N -1 3 307.306 0.831 20 30 DCEDHM CN(CC(=O)NCC#N)[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC001188924918 772380671 /nfs/dbraw/zinc/38/06/71/772380671.db2.gz JOLSFJAGEUSAHR-LBPRGKRZSA-N -1 3 316.361 0.178 20 30 DCEDHM C#CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(OC)n1)C(=O)OC ZINC001190119696 772594184 /nfs/dbraw/zinc/59/41/84/772594184.db2.gz FOMLDVSKZYRELQ-VIFPVBQESA-N -1 3 316.310 0.073 20 30 DCEDHM COc1nc(S(=O)(=O)[N-]C2(C#N)CCOCC2)ccc1F ZINC001190126746 772595593 /nfs/dbraw/zinc/59/55/93/772595593.db2.gz MVHLALURYGVFBJ-UHFFFAOYSA-N -1 3 315.326 0.580 20 30 DCEDHM COc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c(OC)n1 ZINC001214967703 774029434 /nfs/dbraw/zinc/02/94/34/774029434.db2.gz KMRHCFOWTNITMV-SECBINFHSA-N -1 3 310.310 0.601 20 30 DCEDHM O=C(Nc1ccc(N2CCC2=O)cc1)N[C@H]1CCCN([O-])C1=O ZINC001217067891 774151792 /nfs/dbraw/zinc/15/17/92/774151792.db2.gz NBRPUJJYXNXGCQ-LBPRGKRZSA-N -1 3 318.333 0.925 20 30 DCEDHM N#Cc1cc(NC(=O)[C@H](N)CCCNC(N)=O)c([O-])cc1F ZINC001219068281 774357094 /nfs/dbraw/zinc/35/70/94/774357094.db2.gz NWMPMPRNUYTMHG-SECBINFHSA-N -1 3 309.301 0.117 20 30 DCEDHM CC[C@H](C)[C@H](N)C(=O)NCC(=O)Nc1cc(C#N)c(F)cc1[O-] ZINC001219068565 774357434 /nfs/dbraw/zinc/35/74/34/774357434.db2.gz YJMJMGCKQRUQOW-RTHLEPHNSA-N -1 3 322.340 0.831 20 30 DCEDHM CCOC(=O)C(NS(=O)(=O)c1ccc(C)c(C#N)c1)=C(C)[O-] ZINC001201330581 774482433 /nfs/dbraw/zinc/48/24/33/774482433.db2.gz SBBUHWQFQXJLBA-CYBMUJFWSA-N -1 3 324.358 0.666 20 30 DCEDHM C=C[C@H]1C[C@]1([N-]S(=O)(=O)CCCC(=O)OC)C(=O)OCC ZINC001201923071 774581375 /nfs/dbraw/zinc/58/13/75/774581375.db2.gz HSUUUELFLOCWNA-GXFFZTMASA-N -1 3 319.379 0.367 20 30 DCEDHM CC#CCN1CC[C@@H]2CCN(C(=O)c3n[nH]c(C)c3[O-])C[C@H]21 ZINC001042015028 777639979 /nfs/dbraw/zinc/63/99/79/777639979.db2.gz BEQQQFZKDVIWKO-CHWSQXEVSA-N -1 3 302.378 0.983 20 30 DCEDHM CC#CCN1CCN(CCN(C)C(=O)c2ncccc2[O-])CC1 ZINC001317816784 945195949 /nfs/dbraw/zinc/19/59/49/945195949.db2.gz NPRCTNNYQVPWPX-UHFFFAOYSA-N -1 3 316.405 0.500 20 30 DCEDHM C=CC(C)(C)C(=O)N[C@@H](CNCc1nc(=O)n(C)[n-]1)CC(C)C ZINC001268111122 939948868 /nfs/dbraw/zinc/94/88/68/939948868.db2.gz ZOHBNESFLLBNBB-GFCCVEGCSA-N -1 3 323.441 0.941 20 30 DCEDHM CC(C)[C@H](CNC(=O)c1cc(=O)[n-]c(C2CC2)n1)NCC#N ZINC001271856086 941467711 /nfs/dbraw/zinc/46/77/11/941467711.db2.gz YJMUZAVFICMVAP-LBPRGKRZSA-N -1 3 303.366 0.927 20 30 DCEDHM C#CCN1CC[C@]2(CCCN2C(=O)c2ccnc(=O)[n-]2)C1=O ZINC001272240342 941874793 /nfs/dbraw/zinc/87/47/93/941874793.db2.gz HCZBPQRABMZWJT-OAHLLOKOSA-N -1 3 300.318 0.023 20 30 DCEDHM CC(C)C#CC(=O)N[C@H]1CCCC[C@@H]1CNCc1n[nH]c(=O)[n-]1 ZINC001483432704 942357658 /nfs/dbraw/zinc/35/76/58/942357658.db2.gz CXLQUKBFSJWFCQ-OLZOCXBDSA-N -1 3 319.409 0.934 20 30 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/nfs/dbraw/zinc/53/85/97/1166538597.db2.gz DGHKDIOTQIIYBM-UHFFFAOYSA-N -1 3 324.344 0.221 20 30 DCEDHM C#CCN(C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588347977 1166538602 /nfs/dbraw/zinc/53/86/02/1166538602.db2.gz DGHKDIOTQIIYBM-UHFFFAOYSA-N -1 3 324.344 0.221 20 30 DCEDHM C#CCOCCCOC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588362580 1166547217 /nfs/dbraw/zinc/54/72/17/1166547217.db2.gz LWGOSJSKAYCDCK-UHFFFAOYSA-N -1 3 316.317 0.829 20 30 DCEDHM C#CCOCCCOC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588362580 1166547224 /nfs/dbraw/zinc/54/72/24/1166547224.db2.gz LWGOSJSKAYCDCK-UHFFFAOYSA-N -1 3 316.317 0.829 20 30 DCEDHM C#CCn1cc(CNC(=O)c2ccc(-c3nnn[n-]3)c(C)n2)cn1 ZINC001588363928 1166549169 /nfs/dbraw/zinc/54/91/69/1166549169.db2.gz JHQPHYMJOFOOCM-UHFFFAOYSA-N -1 3 322.332 0.330 20 30 DCEDHM C#CCn1cc(CNC(=O)c2ccc(-c3nn[n-]n3)c(C)n2)cn1 ZINC001588363928 1166549173 /nfs/dbraw/zinc/54/91/73/1166549173.db2.gz JHQPHYMJOFOOCM-UHFFFAOYSA-N -1 3 322.332 0.330 20 30 DCEDHM C=CC[C@@H](CO)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588545224 1166560272 /nfs/dbraw/zinc/56/02/72/1166560272.db2.gz ATNRZCNGZROAKW-JTQLQIEISA-N -1 3 318.337 0.934 20 30 DCEDHM C=CC[C@@H](CO)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588545224 1166560279 /nfs/dbraw/zinc/56/02/79/1166560279.db2.gz ATNRZCNGZROAKW-JTQLQIEISA-N -1 3 318.337 0.934 20 30 DCEDHM C=CC[C@@H](CC)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001588541319 1166561274 /nfs/dbraw/zinc/56/12/74/1166561274.db2.gz MCAQEECWRIDVNH-SNVBAGLBSA-N -1 3 308.367 0.895 20 30 DCEDHM C=CC[C@@H](CC)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001588541319 1166561283 /nfs/dbraw/zinc/56/12/83/1166561283.db2.gz MCAQEECWRIDVNH-SNVBAGLBSA-N -1 3 308.367 0.895 20 30 DCEDHM C=CCC[C@H](CO)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588577905 1166564895 /nfs/dbraw/zinc/56/48/95/1166564895.db2.gz QTUWQGAWNYYJOF-CYBMUJFWSA-N -1 3 316.365 0.993 20 30 DCEDHM C=CCC[C@H](CO)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588577905 1166564903 /nfs/dbraw/zinc/56/49/03/1166564903.db2.gz QTUWQGAWNYYJOF-CYBMUJFWSA-N -1 3 316.365 0.993 20 30 DCEDHM C=CCCCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCOC2 ZINC001588593755 1166564956 /nfs/dbraw/zinc/56/49/56/1166564956.db2.gz FKVVWFVHZXAYJR-UHFFFAOYSA-N -1 3 303.326 0.888 20 30 DCEDHM C=CCCCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCOC2 ZINC001588593755 1166564963 /nfs/dbraw/zinc/56/49/63/1166564963.db2.gz FKVVWFVHZXAYJR-UHFFFAOYSA-N -1 3 303.326 0.888 20 30 DCEDHM C=CCCC(=O)NCCNc1ncc(-c2nnn[n-]2)cc1F ZINC001588572184 1166566189 /nfs/dbraw/zinc/56/61/89/1166566189.db2.gz AUNWWMTZNDVVLB-UHFFFAOYSA-N -1 3 305.317 0.895 20 30 DCEDHM C=CCCC(=O)NCCNc1ncc(-c2nn[n-]n2)cc1F ZINC001588572184 1166566193 /nfs/dbraw/zinc/56/61/93/1166566193.db2.gz AUNWWMTZNDVVLB-UHFFFAOYSA-N -1 3 305.317 0.895 20 30 DCEDHM C=C[C@H](CO)NC(=O)N[C@@H]1CCc2cc(-c3nnn[n-]3)ccc21 ZINC001588728473 1166582065 /nfs/dbraw/zinc/58/20/65/1166582065.db2.gz QXQPAQNSOZFSNT-DGCLKSJQSA-N -1 3 314.349 0.700 20 30 DCEDHM C=C[C@H](CO)NC(=O)N[C@@H]1CCc2cc(-c3nn[n-]n3)ccc21 ZINC001588728473 1166582070 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CC(C)COC(=O)N(C)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001589638371 1166671306 /nfs/dbraw/zinc/67/13/06/1166671306.db2.gz SKQCNEPWPFBNJA-UHFFFAOYSA-N -1 3 304.314 0.617 20 30 DCEDHM C[C@H](CC#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589787899 1166688352 /nfs/dbraw/zinc/68/83/52/1166688352.db2.gz QZNWRLDUDHECCX-SSDOTTSWSA-N -1 3 310.314 0.586 20 30 DCEDHM C[C@@H](CO)COC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589883054 1166706794 /nfs/dbraw/zinc/70/67/94/1166706794.db2.gz WLTXDVHRHIFCID-GXFFZTMASA-N -1 3 315.333 0.721 20 30 DCEDHM C[C@@H](CO)COC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589883054 1166706797 /nfs/dbraw/zinc/70/67/97/1166706797.db2.gz WLTXDVHRHIFCID-GXFFZTMASA-N -1 3 315.333 0.721 20 30 DCEDHM C[C@@]1(CNCC#N)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001590132465 1166785875 /nfs/dbraw/zinc/78/58/75/1166785875.db2.gz YAUSGSXLTRQYKQ-AWEZNQCLSA-N -1 3 314.353 0.160 20 30 DCEDHM C[C@@]1(CNCC#N)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001590132465 1166785878 /nfs/dbraw/zinc/78/58/78/1166785878.db2.gz YAUSGSXLTRQYKQ-AWEZNQCLSA-N -1 3 314.353 0.160 20 30 DCEDHM CCN([C@H](C)C#N)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590676179 1166966498 /nfs/dbraw/zinc/96/64/98/1166966498.db2.gz DVMSSXZGBHBLQH-SNVBAGLBSA-N -1 3 320.378 0.930 20 30 DCEDHM CCN([C@H](C)C#N)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590676179 1166966508 /nfs/dbraw/zinc/96/65/08/1166966508.db2.gz DVMSSXZGBHBLQH-SNVBAGLBSA-N -1 3 320.378 0.930 20 30 DCEDHM COC(=O)[C@H]1CCCC[C@H]1Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001591253948 1167178569 /nfs/dbraw/zinc/17/85/69/1167178569.db2.gz GEWSEIRHWPGCRU-UWVGGRQHSA-N -1 3 315.337 0.914 20 30 DCEDHM COC[C@@H](C)NC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591374388 1167244817 /nfs/dbraw/zinc/24/48/17/1167244817.db2.gz DCQQLSGDYUCJSU-SECBINFHSA-N -1 3 319.394 0.700 20 30 DCEDHM COC[C@@H](C)NC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591374388 1167244822 /nfs/dbraw/zinc/24/48/22/1167244822.db2.gz DCQQLSGDYUCJSU-SECBINFHSA-N -1 3 319.394 0.700 20 30 DCEDHM CON=CC(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001591467633 1167299505 /nfs/dbraw/zinc/29/95/05/1167299505.db2.gz TVRCZUGBXXMZPV-LBPRGKRZSA-N -1 3 316.321 0.399 20 30 DCEDHM CON=CC(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591467633 1167299512 /nfs/dbraw/zinc/29/95/12/1167299512.db2.gz TVRCZUGBXXMZPV-LBPRGKRZSA-N -1 3 316.321 0.399 20 30 DCEDHM COc1c(C#N)ccc(=O)n1Cc1ccccc1-c1nnn[n-]1 ZINC001591474880 1167306139 /nfs/dbraw/zinc/30/61/39/1167306139.db2.gz NTDBTPVVGYQQHB-UHFFFAOYSA-N -1 3 308.301 0.957 20 30 DCEDHM COc1c(C#N)ccc(=O)n1Cc1ccccc1-c1nn[n-]n1 ZINC001591474880 1167306142 /nfs/dbraw/zinc/30/61/42/1167306142.db2.gz NTDBTPVVGYQQHB-UHFFFAOYSA-N -1 3 308.301 0.957 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1Cn1cc(C#N)ccc1=O ZINC001591487299 1167311861 /nfs/dbraw/zinc/31/18/61/1167311861.db2.gz YCMRDNOETDWESU-UHFFFAOYSA-N -1 3 308.301 0.957 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1Cn1cc(C#N)ccc1=O ZINC001591487299 1167311873 /nfs/dbraw/zinc/31/18/73/1167311873.db2.gz YCMRDNOETDWESU-UHFFFAOYSA-N -1 3 308.301 0.957 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1NCC(=O)NCCC#N ZINC001591494453 1167314203 /nfs/dbraw/zinc/31/42/03/1167314203.db2.gz HINFHELAQFEROW-UHFFFAOYSA-N -1 3 301.310 0.317 20 30 DCEDHM Cc1c(C(=O)N2CCO[C@](C)(C#N)C2)cccc1-c1nnn[n-]1 ZINC001591802645 1167383275 /nfs/dbraw/zinc/38/32/75/1167383275.db2.gz BVEPMSCCKZBSAG-OAHLLOKOSA-N -1 3 312.333 0.930 20 30 DCEDHM Cc1c(C(=O)N2CCO[C@](C)(C#N)C2)cccc1-c1nn[n-]n1 ZINC001591802645 1167383279 /nfs/dbraw/zinc/38/32/79/1167383279.db2.gz BVEPMSCCKZBSAG-OAHLLOKOSA-N -1 3 312.333 0.930 20 30 DCEDHM Cc1cc(C#N)ccc1Cn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001591906604 1167415531 /nfs/dbraw/zinc/41/55/31/1167415531.db2.gz SERAMUIZCGEUAM-UHFFFAOYSA-N -1 3 305.305 0.745 20 30 DCEDHM Cc1cc(C#N)ccc1Cn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001591906604 1167415535 /nfs/dbraw/zinc/41/55/35/1167415535.db2.gz SERAMUIZCGEUAM-UHFFFAOYSA-N -1 3 305.305 0.745 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1nnsc1Cl ZINC001592340235 1167495941 /nfs/dbraw/zinc/49/59/41/1167495941.db2.gz OJVGROVUSURMGR-UHFFFAOYSA-N -1 3 307.730 0.797 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1nnsc1Cl ZINC001592340235 1167495943 /nfs/dbraw/zinc/49/59/43/1167495943.db2.gz OJVGROVUSURMGR-UHFFFAOYSA-N -1 3 307.730 0.797 20 30 DCEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCC(=O)NCCC#N)n1 ZINC001592353808 1167501403 /nfs/dbraw/zinc/50/14/03/1167501403.db2.gz WBMRRFFCYJQNOK-UHFFFAOYSA-N -1 3 318.366 0.396 20 30 DCEDHM Cc1nnc(N2CCO[C@@](C)(C#N)C2)c(-c2nnn[n-]2)c1C ZINC001592448759 1167527093 /nfs/dbraw/zinc/52/70/93/1167527093.db2.gz KXHMSJBYPCHNEH-ZDUSSCGKSA-N -1 3 300.326 0.392 20 30 DCEDHM Cc1nnc(N2CCO[C@@](C)(C#N)C2)c(-c2nn[n-]n2)c1C ZINC001592448759 1167527100 /nfs/dbraw/zinc/52/71/00/1167527100.db2.gz KXHMSJBYPCHNEH-ZDUSSCGKSA-N -1 3 300.326 0.392 20 30 DCEDHM N#CC1(CNC(=O)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC001592668238 1167591321 /nfs/dbraw/zinc/59/13/21/1167591321.db2.gz IGFSAZKQGWMODA-UHFFFAOYSA-N -1 3 312.333 0.917 20 30 DCEDHM N#CC1(CNC(=O)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC001592668238 1167591327 /nfs/dbraw/zinc/59/13/27/1167591327.db2.gz IGFSAZKQGWMODA-UHFFFAOYSA-N -1 3 312.333 0.917 20 30 DCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H]1C[C@@H](O)C1 ZINC001592668132 1167591766 /nfs/dbraw/zinc/59/17/66/1167591766.db2.gz ICEXKKHVZBJPPW-UPJWGTAASA-N -1 3 312.333 0.188 20 30 DCEDHM N#CC1(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001592669681 1167591883 /nfs/dbraw/zinc/59/18/83/1167591883.db2.gz ZZSVCOSABFHBPD-GFCCVEGCSA-N -1 3 312.333 0.710 20 30 DCEDHM N#CC1(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001592669681 1167591890 /nfs/dbraw/zinc/59/18/90/1167591890.db2.gz ZZSVCOSABFHBPD-GFCCVEGCSA-N -1 3 312.333 0.710 20 30 DCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(=O)C1CC1 ZINC001592665115 1167591922 /nfs/dbraw/zinc/59/19/22/1167591922.db2.gz CVBHQCPQIXWAIL-CYBMUJFWSA-N -1 3 324.344 0.644 20 30 DCEDHM N#CC1(CNC(=O)C(=O)Nc2sccc2-c2nnn[n-]2)CC1 ZINC001592669329 1167592809 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1166903045 /nfs/dbraw/zinc/90/30/45/1166903045.db2.gz YQNGLXHTAAJOOP-NEPJUHHUSA-N -1 3 300.322 0.709 20 30 DCEDHM CC[C@H](CC#N)NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590420485 1166903048 /nfs/dbraw/zinc/90/30/48/1166903048.db2.gz YQNGLXHTAAJOOP-NEPJUHHUSA-N -1 3 300.322 0.709 20 30 DCEDHM CN(CCC#N)C[C@H](O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591061898 1167097132 /nfs/dbraw/zinc/09/71/32/1167097132.db2.gz ILQFBGYDGKHTSZ-JTQLQIEISA-N -1 3 320.328 0.591 20 30 DCEDHM CN(CCC#N)C[C@H](O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591061898 1167097138 /nfs/dbraw/zinc/09/71/38/1167097138.db2.gz ILQFBGYDGKHTSZ-JTQLQIEISA-N -1 3 320.328 0.591 20 30 DCEDHM COC(=O)[C@]1(F)CCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591242046 1167173266 /nfs/dbraw/zinc/17/32/66/1167173266.db2.gz JOIXGYNXVJDZIJ-AWEZNQCLSA-N -1 3 316.296 0.830 20 30 DCEDHM COC(=O)[C@]1(F)CCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591242046 1167173270 /nfs/dbraw/zinc/17/32/70/1167173270.db2.gz JOIXGYNXVJDZIJ-AWEZNQCLSA-N -1 3 316.296 0.830 20 30 DCEDHM COCCN(CC#N)C(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001591422166 1167277604 /nfs/dbraw/zinc/27/76/04/1167277604.db2.gz YKGWHXBVLVZCOS-UHFFFAOYSA-N -1 3 300.322 0.787 20 30 DCEDHM COCCN(CC#N)C(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001591422166 1167277606 /nfs/dbraw/zinc/27/76/06/1167277606.db2.gz YKGWHXBVLVZCOS-UHFFFAOYSA-N -1 3 300.322 0.787 20 30 DCEDHM COCCN(CC#N)C(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001591421907 1167278925 /nfs/dbraw/zinc/27/89/25/1167278925.db2.gz KYJYNNIXJWOQDS-UHFFFAOYSA-N -1 3 316.321 0.244 20 30 DCEDHM Cc1csc(=O)n1CCn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001592340490 1167495314 /nfs/dbraw/zinc/49/53/14/1167495314.db2.gz GIGMOTUENKVPMG-UHFFFAOYSA-N -1 3 316.350 0.475 20 30 DCEDHM Cc1csc(=O)n1CCn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001592340490 1167495317 /nfs/dbraw/zinc/49/53/17/1167495317.db2.gz GIGMOTUENKVPMG-UHFFFAOYSA-N -1 3 316.350 0.475 20 30 DCEDHM N#CC1(CNCc2cnc3c(-c4nnn[n-]4)cnn3c2)CCC1 ZINC001592669744 1167591686 /nfs/dbraw/zinc/59/16/86/1167591686.db2.gz MDXBXOSAHTVOGB-UHFFFAOYSA-N -1 3 309.337 0.693 20 30 DCEDHM N#CC[C@@]1(O)CCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC001592674593 1167596006 /nfs/dbraw/zinc/59/60/06/1167596006.db2.gz GHXIYXGQKUHKRD-GFCCVEGCSA-N -1 3 304.335 0.419 20 30 DCEDHM N#CC[C@@]1(O)CCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC001592674593 1167596011 /nfs/dbraw/zinc/59/60/11/1167596011.db2.gz GHXIYXGQKUHKRD-GFCCVEGCSA-N -1 3 304.335 0.419 20 30 DCEDHM N#CC[C@@]1(O)CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC001592674265 1167596396 /nfs/dbraw/zinc/59/63/96/1167596396.db2.gz CAPKBPAIPZAYFJ-SQRWCISFSA-N -1 3 324.344 0.757 20 30 DCEDHM N#CC[C@@]1(O)CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC001592674265 1167596399 /nfs/dbraw/zinc/59/63/99/1167596399.db2.gz CAPKBPAIPZAYFJ-SQRWCISFSA-N -1 3 324.344 0.757 20 30 DCEDHM N#CCCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001592677794 1167597935 /nfs/dbraw/zinc/59/79/35/1167597935.db2.gz HLQMIKDRHYKBRM-UHFFFAOYSA-N -1 3 310.314 0.339 20 30 DCEDHM N#CCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001592677794 1167597942 /nfs/dbraw/zinc/59/79/42/1167597942.db2.gz HLQMIKDRHYKBRM-UHFFFAOYSA-N -1 3 310.314 0.339 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCO[C@@H](C(=O)C2CC2)C1 ZINC001592698584 1167602160 /nfs/dbraw/zinc/60/21/60/1167602160.db2.gz DGEVHTQHGLIBFZ-CYBMUJFWSA-N -1 3 324.344 0.923 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCO[C@@H](C(=O)C2CC2)C1 ZINC001592698584 1167602163 /nfs/dbraw/zinc/60/21/63/1167602163.db2.gz DGEVHTQHGLIBFZ-CYBMUJFWSA-N -1 3 324.344 0.923 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCc2n[nH]c(=O)cc2C1 ZINC001592698583 1167602275 /nfs/dbraw/zinc/60/22/75/1167602275.db2.gz DFEUDPSUYJYJTQ-UHFFFAOYSA-N -1 3 320.316 0.797 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCc2n[nH]c(=O)cc2C1 ZINC001592698583 1167602278 /nfs/dbraw/zinc/60/22/78/1167602278.db2.gz DFEUDPSUYJYJTQ-UHFFFAOYSA-N -1 3 320.316 0.797 20 30 DCEDHM N#Cc1cccn(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1=O ZINC001592703117 1167604435 /nfs/dbraw/zinc/60/44/35/1167604435.db2.gz SIUQIIDXFZVMNM-UHFFFAOYSA-N -1 3 323.272 0.857 20 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JOTXSCRHQUBUOH-UHFFFAOYSA-N -1 3 300.322 0.895 20 30 DCEDHM O=C(CON=CC1CC1)NCc1cccc(-c2nn[n-]n2)c1 ZINC001592886858 1167657500 /nfs/dbraw/zinc/65/75/00/1167657500.db2.gz JOTXSCRHQUBUOH-UHFFFAOYSA-N -1 3 300.322 0.895 20 30 DCEDHM N#CC1(C[C@H](O)CN2CCC(C#N)(C(=O)[O-])CC2)CCOCC1 ZINC001601055093 1168578029 /nfs/dbraw/zinc/57/80/29/1168578029.db2.gz WXHSARIDLRMBMF-ZDUSSCGKSA-N -1 3 321.377 0.748 20 30 DCEDHM N#Cc1ccc(CNCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1F ZINC001601101475 1168585620 /nfs/dbraw/zinc/58/56/20/1168585620.db2.gz AZAVBACRHXUBAO-RYUDHWBXSA-N -1 3 305.309 0.624 20 30 DCEDHM C#CC(C)(C)NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602690465 1169159729 /nfs/dbraw/zinc/15/97/29/1169159729.db2.gz WAWYSQGRIIBJGN-UHFFFAOYSA-N -1 3 305.363 0.698 20 30 DCEDHM C#CC(C)(C)NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602690465 1169159733 /nfs/dbraw/zinc/15/97/33/1169159733.db2.gz WAWYSQGRIIBJGN-UHFFFAOYSA-N -1 3 305.363 0.698 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602697520 1169164475 /nfs/dbraw/zinc/16/44/75/1169164475.db2.gz NWQYRMLLVCFWMY-VIFPVBQESA-N -1 3 304.285 0.512 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602697520 1169164480 /nfs/dbraw/zinc/16/44/80/1169164480.db2.gz NWQYRMLLVCFWMY-VIFPVBQESA-N -1 3 304.285 0.512 20 30 DCEDHM C#CCN(C)c1nnc(-c2cc(-c3nnn[n-]3)cn2C)n1CC=C ZINC001602716971 1169169982 /nfs/dbraw/zinc/16/99/82/1169169982.db2.gz WWHQGQUEWPUWAN-UHFFFAOYSA-N -1 3 323.364 0.719 20 30 DCEDHM C#CCN(C)c1nnc(-c2cc(-c3nn[n-]n3)cn2C)n1CC=C ZINC001602716971 1169169985 /nfs/dbraw/zinc/16/99/85/1169169985.db2.gz WWHQGQUEWPUWAN-UHFFFAOYSA-N -1 3 323.364 0.719 20 30 DCEDHM C#CCNC(=O)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001602722182 1169172214 /nfs/dbraw/zinc/17/22/14/1169172214.db2.gz FMISCWVDDYOXMY-FPLPWBNLSA-N -1 3 311.301 0.173 20 30 DCEDHM C#CCNC(=O)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001602722182 1169172216 /nfs/dbraw/zinc/17/22/16/1169172216.db2.gz FMISCWVDDYOXMY-FPLPWBNLSA-N -1 3 311.301 0.173 20 30 DCEDHM C#CCOCCNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001602729057 1169174861 /nfs/dbraw/zinc/17/48/61/1169174861.db2.gz BKPMCFJBBUIWKN-UHFFFAOYSA-N -1 3 300.322 0.946 20 30 DCEDHM C#CCOCCNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001602729057 1169174895 /nfs/dbraw/zinc/17/48/95/1169174895.db2.gz BKPMCFJBBUIWKN-UHFFFAOYSA-N -1 3 300.322 0.946 20 30 DCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1n[nH]c(C)c1-c1nnn[n-]1 ZINC001602756453 1169179775 /nfs/dbraw/zinc/17/97/75/1169179775.db2.gz NWUVWKNYECRRHJ-SECBINFHSA-N -1 3 318.341 0.308 20 30 DCEDHM C=CC[C@@H](CO)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602816507 1169187793 /nfs/dbraw/zinc/18/77/93/1169187793.db2.gz PQIHYTVFJGGJGH-JQWIXIFHSA-N -1 3 317.349 0.687 20 30 DCEDHM C[C@@H](C#N)C(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001602981225 1169224360 /nfs/dbraw/zinc/22/43/60/1169224360.db2.gz BRNLCVHMNNPLLI-LURJTMIESA-N -1 3 303.351 0.555 20 30 DCEDHM C[C@@H](C#N)C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001602981225 1169224365 /nfs/dbraw/zinc/22/43/65/1169224365.db2.gz 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C=C(C)CN(C)c1cccc(S(N)(=O)=O)c1-c1nnn[n-]1 ZINC001588425438 1166553700 /nfs/dbraw/zinc/55/37/00/1166553700.db2.gz FXHQHEMKSKKZMT-UHFFFAOYSA-N -1 3 308.367 0.526 20 30 DCEDHM C=C(C)CN(C)c1cccc(S(N)(=O)=O)c1-c1nn[n-]n1 ZINC001588425438 1166553705 /nfs/dbraw/zinc/55/37/05/1166553705.db2.gz FXHQHEMKSKKZMT-UHFFFAOYSA-N -1 3 308.367 0.526 20 30 DCEDHM C=C[C@](C)(O)CC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588501077 1166558630 /nfs/dbraw/zinc/55/86/30/1166558630.db2.gz JEWOPVXWTYCAAF-CJNGLKHVSA-N -1 3 313.361 0.777 20 30 DCEDHM C=C[C@](C)(O)CC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588501077 1166558638 /nfs/dbraw/zinc/55/86/38/1166558638.db2.gz JEWOPVXWTYCAAF-CJNGLKHVSA-N -1 3 313.361 0.777 20 30 DCEDHM C=CCC1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001588557655 1166561724 /nfs/dbraw/zinc/56/17/24/1166561724.db2.gz RJOXMCABXOCMSL-UHFFFAOYSA-N -1 3 302.338 0.738 20 30 DCEDHM C=CCC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001588557655 1166561732 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0.500 20 30 DCEDHM C=CCC(C)(C)C(=O)N1CC(NC(=O)c2cnc[n-]c2=O)C1 ZINC001745882474 1158167204 /nfs/dbraw/zinc/16/72/04/1158167204.db2.gz LHBCNSMAPPDEBA-UHFFFAOYSA-N -1 3 304.350 0.725 20 30 DCEDHM COCC#CCNCc1cc(=O)[n-]c(CNC(=O)C(C)(C)F)n1 ZINC001565988297 1159934874 /nfs/dbraw/zinc/93/48/74/1159934874.db2.gz VQCDUNWWSUQZNT-UHFFFAOYSA-N -1 3 324.356 0.286 20 30 DCEDHM C#CCNCc1cc(=O)[n-]c(CNC(=O)[C@H]2C[C@H]3C[C@H]3C2)n1 ZINC001565991969 1159940407 /nfs/dbraw/zinc/94/04/07/1159940407.db2.gz ZYRLDSPTKOPKAD-GDNZZTSVSA-N -1 3 300.362 0.567 20 30 DCEDHM C#CCNC(=O)[C@H](C)N(C)CCNC(=O)c1ccccc1[O-] ZINC001567270805 1160291524 /nfs/dbraw/zinc/29/15/24/1160291524.db2.gz KBJZBSVDDNGBOX-LBPRGKRZSA-N -1 3 303.362 0.192 20 30 DCEDHM C=CCOCCCC(=O)N1C[C@H](NC(=O)c2cn[n-]n2)C[C@H]1C ZINC001572394432 1163159918 /nfs/dbraw/zinc/15/99/18/1163159918.db2.gz QBZRIKDQYRTZFG-VXGBXAGGSA-N -1 3 321.381 0.507 20 30 DCEDHM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N[C@H]2CCN([O-])C2=O)C1 ZINC001569563919 1161151476 /nfs/dbraw/zinc/15/14/76/1161151476.db2.gz LWYZHDHZYIXNBS-AEJSXWLSSA-N -1 3 313.354 0.396 20 30 DCEDHM N#CCCN(CCC#N)C(=O)CN1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC001574242550 1163672253 /nfs/dbraw/zinc/67/22/53/1163672253.db2.gz WQMSSCMDENQXTC-PIMMBPRGSA-N -1 3 318.377 0.970 20 30 DCEDHM CCN(CCNC(=O)[C@@H](C)C#N)c1ccc(-c2nnn[n-]2)cn1 ZINC001577923741 1164843138 /nfs/dbraw/zinc/84/31/38/1164843138.db2.gz NBKYOCVJGHVSSN-JTQLQIEISA-N -1 3 314.353 0.364 20 30 DCEDHM CCN(CCNC(=O)[C@@H](C)C#N)c1ccc(-c2nn[n-]n2)cn1 ZINC001577923741 1164843147 /nfs/dbraw/zinc/84/31/47/1164843147.db2.gz NBKYOCVJGHVSSN-JTQLQIEISA-N -1 3 314.353 0.364 20 30 DCEDHM C#CCCCC(=O)N1CC[C@H](NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001578059360 1164911038 /nfs/dbraw/zinc/91/10/38/1164911038.db2.gz AWGZXPXHEFNIKP-LBPRGKRZSA-N -1 3 316.361 0.625 20 30 DCEDHM CN(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)c1ccnc(C#N)n1 ZINC001579063646 1165197432 /nfs/dbraw/zinc/19/74/32/1165197432.db2.gz HTHISERDIARYIR-GFCCVEGCSA-N -1 3 322.332 0.698 20 30 DCEDHM CN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)c1ccnc(C#N)n1 ZINC001579063646 1165197433 /nfs/dbraw/zinc/19/74/33/1165197433.db2.gz HTHISERDIARYIR-GFCCVEGCSA-N -1 3 322.332 0.698 20 30 DCEDHM C[C@H](OCc1ccccc1)[C@@H](N)C(=O)N[C@H]1CCN([O-])C1=O ZINC001579486890 1165328242 /nfs/dbraw/zinc/32/82/42/1165328242.db2.gz NJMUCQVLXOVGMO-WCFLWFBJSA-N -1 3 307.350 0.025 20 30 DCEDHM Cc1cc(NC(=O)N2CCO[C@H](C#N)C2)ncc1-c1nnn[n-]1 ZINC001580981406 1165768270 /nfs/dbraw/zinc/76/82/70/1165768270.db2.gz GXJDNJKAOIZIEN-SECBINFHSA-N -1 3 314.309 0.326 20 30 DCEDHM Cc1cc(NC(=O)N2CCO[C@H](C#N)C2)ncc1-c1nn[n-]n1 ZINC001580981406 1165768280 /nfs/dbraw/zinc/76/82/80/1165768280.db2.gz GXJDNJKAOIZIEN-SECBINFHSA-N -1 3 314.309 0.326 20 30 DCEDHM Cn1cc(C#N)c(NC(=O)COc2ccccc2-c2nnn[n-]2)n1 ZINC001581754824 1165870520 /nfs/dbraw/zinc/87/05/20/1165870520.db2.gz NUVRLXRTPVSNSU-UHFFFAOYSA-N -1 3 324.304 0.489 20 30 DCEDHM Cn1cc(C#N)c(NC(=O)COc2ccccc2-c2nn[n-]n2)n1 ZINC001581754824 1165870525 /nfs/dbraw/zinc/87/05/25/1165870525.db2.gz NUVRLXRTPVSNSU-UHFFFAOYSA-N -1 3 324.304 0.489 20 30 DCEDHM Cn1cc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1 ZINC001581769868 1165873501 /nfs/dbraw/zinc/87/35/01/1165873501.db2.gz TWKSCSLQWIOOSV-UHFFFAOYSA-N -1 3 323.320 0.438 20 30 DCEDHM Cn1cc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1 ZINC001581769868 1165873504 /nfs/dbraw/zinc/87/35/04/1165873504.db2.gz TWKSCSLQWIOOSV-UHFFFAOYSA-N -1 3 323.320 0.438 20 30 DCEDHM N#Cc1nc(N)n(CCOC2CCSCC2)c1-c1nnn[n-]1 ZINC001581878225 1165896160 /nfs/dbraw/zinc/89/61/60/1165896160.db2.gz BZZTWSBKVCMPQB-UHFFFAOYSA-N -1 3 320.382 0.429 20 30 DCEDHM N#Cc1nc(N)n(CCOC2CCSCC2)c1-c1nn[n-]n1 ZINC001581878225 1165896167 /nfs/dbraw/zinc/89/61/67/1165896167.db2.gz BZZTWSBKVCMPQB-UHFFFAOYSA-N -1 3 320.382 0.429 20 30 DCEDHM N#Cc1nc(N)n(Cc2cc(CO)ccc2F)c1-c1nnn[n-]1 ZINC001581878656 1165897244 /nfs/dbraw/zinc/89/72/44/1165897244.db2.gz WNGAGQYGXAUFSU-UHFFFAOYSA-N -1 3 314.284 0.197 20 30 DCEDHM N#Cc1nc(N)n(Cc2cc(CO)ccc2F)c1-c1nn[n-]n1 ZINC001581878656 1165897247 /nfs/dbraw/zinc/89/72/47/1165897247.db2.gz WNGAGQYGXAUFSU-UHFFFAOYSA-N -1 3 314.284 0.197 20 30 DCEDHM N#Cc1ccc(C[C@H](C#N)C(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001585936828 1166470632 /nfs/dbraw/zinc/47/06/32/1166470632.db2.gz BLZKLDXLQZJSDN-LSDHHAIUSA-N -1 3 323.356 0.869 20 30 DCEDHM COC(=O)CCN(CC#N)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC001587592336 1166509019 /nfs/dbraw/zinc/50/90/19/1166509019.db2.gz OJYXCFRSTVEATC-UHFFFAOYSA-N -1 3 322.317 0.938 20 30 DCEDHM C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001588326097 1166521093 /nfs/dbraw/zinc/52/10/93/1166521093.db2.gz DODVBNRZVQTJAL-SNVBAGLBSA-N -1 3 312.333 0.642 20 30 DCEDHM C#C[C@H](CC)NC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001588326097 1166521097 /nfs/dbraw/zinc/52/10/97/1166521097.db2.gz DODVBNRZVQTJAL-SNVBAGLBSA-N -1 3 312.333 0.642 20 30 DCEDHM C#CC1(F)CN(C(=O)[C@H](C)Oc2ccccc2-c2nnn[n-]2)C1 ZINC001588328994 1166523228 /nfs/dbraw/zinc/52/32/28/1166523228.db2.gz VJYGQVVPVUDZNF-JTQLQIEISA-N -1 3 315.308 0.818 20 30 DCEDHM C#CC1(F)CN(C(=O)[C@H](C)Oc2ccccc2-c2nn[n-]n2)C1 ZINC001588328994 1166523231 /nfs/dbraw/zinc/52/32/31/1166523231.db2.gz VJYGQVVPVUDZNF-JTQLQIEISA-N -1 3 315.308 0.818 20 30 DCEDHM C#C[C@@H](CCC)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588327103 1166524921 /nfs/dbraw/zinc/52/49/21/1166524921.db2.gz BUSOVNIOLJZONG-NSHDSACASA-N -1 3 305.363 0.947 20 30 DCEDHM C#C[C@@H](CCC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588327103 1166524924 /nfs/dbraw/zinc/52/49/24/1166524924.db2.gz BUSOVNIOLJZONG-NSHDSACASA-N -1 3 305.363 0.947 20 30 DCEDHM C#C[C@@H](NC(=O)c1ccc(F)c(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC001588329349 1166526888 /nfs/dbraw/zinc/52/68/88/1166526888.db2.gz DWNLCKOSHREMCU-CHWSQXEVSA-N -1 3 315.308 0.916 20 30 DCEDHM C#C[C@@H](NC(=O)c1ccc(F)c(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC001588329349 1166526893 /nfs/dbraw/zinc/52/68/93/1166526893.db2.gz DWNLCKOSHREMCU-CHWSQXEVSA-N -1 3 315.308 0.916 20 30 DCEDHM C#CC[C@H](CO)NC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588332224 1166528680 /nfs/dbraw/zinc/52/86/80/1166528680.db2.gz XPBXDXFAIDWKEP-GFCCVEGCSA-N -1 3 314.349 0.047 20 30 DCEDHM C#CC[C@H](CO)NC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588332224 1166528681 /nfs/dbraw/zinc/52/86/81/1166528681.db2.gz XPBXDXFAIDWKEP-GFCCVEGCSA-N -1 3 314.349 0.047 20 30 DCEDHM C#CC[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Br ZINC001588332331 1166529639 /nfs/dbraw/zinc/52/96/39/1166529639.db2.gz YZHLQUUMPRTJSM-MRVPVSSYSA-N -1 3 323.154 0.820 20 30 DCEDHM C#CC[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Br ZINC001588332331 1166529645 /nfs/dbraw/zinc/52/96/45/1166529645.db2.gz YZHLQUUMPRTJSM-MRVPVSSYSA-N -1 3 323.154 0.820 20 30 DCEDHM C#CCC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001588336515 1166531975 /nfs/dbraw/zinc/53/19/75/1166531975.db2.gz BMKFQHDMSYWLPY-JTQLQIEISA-N -1 3 303.297 0.510 20 30 DCEDHM C#CCC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001588336515 1166531982 /nfs/dbraw/zinc/53/19/82/1166531982.db2.gz BMKFQHDMSYWLPY-JTQLQIEISA-N -1 3 303.297 0.510 20 30 DCEDHM C#CCCCC(=O)NC1CN(Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001588338749 1166534581 /nfs/dbraw/zinc/53/45/81/1166534581.db2.gz OUWIBUMUZOKVJG-UHFFFAOYSA-N -1 3 324.388 0.971 20 30 DCEDHM C#CCCCC(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588338749 1166534586 /nfs/dbraw/zinc/53/45/86/1166534586.db2.gz OUWIBUMUZOKVJG-UHFFFAOYSA-N -1 3 324.388 0.971 20 30 DCEDHM C#CCC[C@@H](O)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588337962 1166535189 /nfs/dbraw/zinc/53/51/89/1166535189.db2.gz ZGXPVGAGFQDQDP-SNVBAGLBSA-N -1 3 318.312 0.902 20 30 DCEDHM C#CCC[C@@H](O)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588337962 1166535196 /nfs/dbraw/zinc/53/51/96/1166535196.db2.gz ZGXPVGAGFQDQDP-SNVBAGLBSA-N -1 3 318.312 0.902 20 30 DCEDHM C#CCN(CC#CC)C(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001588349926 1166542604 /nfs/dbraw/zinc/54/26/04/1166542604.db2.gz SAHYPABKHNWUBP-UHFFFAOYSA-N -1 3 309.333 0.430 20 30 DCEDHM C#CCN(CC#CC)C(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001588349926 1166542612 /nfs/dbraw/zinc/54/26/12/1166542612.db2.gz SAHYPABKHNWUBP-UHFFFAOYSA-N -1 3 309.333 0.430 20 30 DCEDHM C#CCN1CCC(NC(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588352493 1166544282 /nfs/dbraw/zinc/54/42/82/1166544282.db2.gz MFKKEJLTENDPBE-UHFFFAOYSA-N -1 3 311.349 0.089 20 30 DCEDHM C=C(C)C[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588403988 1166551129 /nfs/dbraw/zinc/55/11/29/1166551129.db2.gz BASSBPBYNLCMIP-NSHDSACASA-N -1 3 317.349 0.932 20 30 DCEDHM C=C(C)C[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588403988 1166551142 /nfs/dbraw/zinc/55/11/42/1166551142.db2.gz BASSBPBYNLCMIP-NSHDSACASA-N -1 3 317.349 0.932 20 30 DCEDHM C=C1CN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588462662 1166558764 /nfs/dbraw/zinc/55/87/64/1166558764.db2.gz MBVIRDSDUBUSTP-UHFFFAOYSA-N -1 3 305.363 0.512 20 30 DCEDHM C=C1CN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588462662 1166558769 /nfs/dbraw/zinc/55/87/69/1166558769.db2.gz MBVIRDSDUBUSTP-UHFFFAOYSA-N -1 3 305.363 0.512 20 30 DCEDHM C=CC[C@H](C)NS(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001588539558 1166561106 /nfs/dbraw/zinc/56/11/06/1166561106.db2.gz PWTCRAJYPIJGFJ-QMMMGPOBSA-N -1 3 308.367 0.813 20 30 DCEDHM C=CC[C@H](C)NS(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001588539558 1166561110 /nfs/dbraw/zinc/56/11/10/1166561110.db2.gz PWTCRAJYPIJGFJ-QMMMGPOBSA-N -1 3 308.367 0.813 20 30 DCEDHM C=CC[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588545742 1166561903 /nfs/dbraw/zinc/56/19/03/1166561903.db2.gz MSLLACHMTMEVMS-JTQLQIEISA-N -1 3 317.349 0.790 20 30 DCEDHM C=CC[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588545742 1166561909 /nfs/dbraw/zinc/56/19/09/1166561909.db2.gz MSLLACHMTMEVMS-JTQLQIEISA-N -1 3 317.349 0.790 20 30 DCEDHM C=CCC[C@H](CO)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001588577735 1166564790 /nfs/dbraw/zinc/56/47/90/1166564790.db2.gz MGNAMOKBRWKADM-LLVKDONJSA-N -1 3 317.349 0.689 20 30 DCEDHM C=CCC[C@H](CO)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001588577735 1166564800 /nfs/dbraw/zinc/56/48/00/1166564800.db2.gz MGNAMOKBRWKADM-LLVKDONJSA-N -1 3 317.349 0.689 20 30 DCEDHM C=CCN(CCOC)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588632098 1166573509 /nfs/dbraw/zinc/57/35/09/1166573509.db2.gz JUHUUMBMGMSTMQ-CYBMUJFWSA-N -1 3 317.349 0.561 20 30 DCEDHM C=CCN(CCOC)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588632098 1166573517 /nfs/dbraw/zinc/57/35/17/1166573517.db2.gz JUHUUMBMGMSTMQ-CYBMUJFWSA-N -1 3 317.349 0.561 20 30 DCEDHM C=CCNC(=O)CNC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588659216 1166577716 /nfs/dbraw/zinc/57/77/16/1166577716.db2.gz JIWDCOWZJGGNRZ-UHFFFAOYSA-N -1 3 314.349 0.516 20 30 DCEDHM C=CCNC(=O)CNC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588659216 1166577725 /nfs/dbraw/zinc/57/77/25/1166577725.db2.gz JIWDCOWZJGGNRZ-UHFFFAOYSA-N -1 3 314.349 0.516 20 30 DCEDHM C=CCOCC(=O)NCCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588676153 1166578460 /nfs/dbraw/zinc/57/84/60/1166578460.db2.gz OORNAJFDXUXIAS-UHFFFAOYSA-N -1 3 317.353 0.301 20 30 DCEDHM C=CCOCC(=O)NCCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588676153 1166578464 /nfs/dbraw/zinc/57/84/64/1166578464.db2.gz OORNAJFDXUXIAS-UHFFFAOYSA-N -1 3 317.353 0.301 20 30 DCEDHM C=CCn1cc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001588716376 1166582163 /nfs/dbraw/zinc/58/21/63/1166582163.db2.gz DLQSZJYNXQTBCK-UHFFFAOYSA-N -1 3 310.321 0.574 20 30 DCEDHM C=CCn1cc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001588716376 1166582166 /nfs/dbraw/zinc/58/21/66/1166582166.db2.gz DLQSZJYNXQTBCK-UHFFFAOYSA-N -1 3 310.321 0.574 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588728143 1166582339 /nfs/dbraw/zinc/58/23/39/1166582339.db2.gz NEQUBTCELRNJCP-FRRDWIJNSA-N -1 3 315.333 0.360 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588728143 1166582346 /nfs/dbraw/zinc/58/23/46/1166582346.db2.gz NEQUBTCELRNJCP-FRRDWIJNSA-N -1 3 315.333 0.360 20 30 DCEDHM CC#CCNCc1cn(Cc2ccc(-c3nn[n-]n3)c(C)c2)nn1 ZINC001588749448 1166586276 /nfs/dbraw/zinc/58/62/76/1166586276.db2.gz BAEPTTYYLNOPSF-UHFFFAOYSA-N -1 3 322.376 0.928 20 30 DCEDHM 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DCEDHM C[C@@H](C#N)CN(C)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588931059 1166618171 /nfs/dbraw/zinc/61/81/71/1166618171.db2.gz QLBJWSNWAZBVFM-QMMMGPOBSA-N -1 3 305.367 0.958 20 30 DCEDHM N#CCCCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC001592675362 1167596023 /nfs/dbraw/zinc/59/60/23/1167596023.db2.gz SQUREOHUVQPHBF-UHFFFAOYSA-N -1 3 304.339 0.801 20 30 DCEDHM N#CCCCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC001592675362 1167596031 /nfs/dbraw/zinc/59/60/31/1167596031.db2.gz SQUREOHUVQPHBF-UHFFFAOYSA-N -1 3 304.339 0.801 20 30 DCEDHM CC(C)N(CCCNC(=O)C#CC1CC1)Cc1nc(=O)n(C)[n-]1 ZINC001317686943 945166518 /nfs/dbraw/zinc/16/65/18/945166518.db2.gz VGMLXWILPOTSCS-UHFFFAOYSA-N -1 3 319.409 0.239 20 30 DCEDHM C=C(C)CCC(=O)N1CC[C@H](NCc2nc(=O)n(C)[n-]2)[C@H]1C ZINC001278265769 945201219 /nfs/dbraw/zinc/20/12/19/945201219.db2.gz ZIEPMYAQVLMOFX-NEPJUHHUSA-N -1 3 307.398 0.544 20 30 DCEDHM C=CCCOCC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001268139502 939957095 /nfs/dbraw/zinc/95/70/95/939957095.db2.gz DMHPVSDPUCWSID-NWDGAFQWSA-N -1 3 323.397 0.430 20 30 DCEDHM C=CCOCCN1CC(NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001481601569 939965414 /nfs/dbraw/zinc/96/54/14/939965414.db2.gz AZNQFSLEJXPWGK-UHFFFAOYSA-N -1 3 320.393 0.345 20 30 DCEDHM C#CCN1CC[C@]2(CCCN2C(=O)c2cc(=O)[n-]cn2)C1=O ZINC001269131244 940626424 /nfs/dbraw/zinc/62/64/24/940626424.db2.gz VJXHLIGDHJFWKY-OAHLLOKOSA-N -1 3 300.318 0.023 20 30 DCEDHM C=C(C)CN1CC[C@@]2(CCCN2C(=O)c2cc(=O)[n-]cn2)C1=O ZINC001269131146 940627627 /nfs/dbraw/zinc/62/76/27/940627627.db2.gz RYNUOTOMDCUDPU-INIZCTEOSA-N -1 3 316.361 0.965 20 30 DCEDHM C=CCN1CC2(CN(C(=O)c3ccc(C)cc3[O-])C2)OCC1=O ZINC001269951154 940804781 /nfs/dbraw/zinc/80/47/81/940804781.db2.gz KBXQSOPMVWMJPJ-UHFFFAOYSA-N -1 3 316.357 0.940 20 30 DCEDHM C=CCN1C[C@@H](NC(=O)c2cc(=O)c3ccccc3[n-]2)[C@@H](O)C1 ZINC001083617097 942202954 /nfs/dbraw/zinc/20/29/54/942202954.db2.gz VBGFRGAGSVLCPF-ZBFHGGJFSA-N -1 3 313.357 0.489 20 30 DCEDHM N#Cc1ccc(NC[C@H](O)CNC(=O)c2ccccc2[O-])nc1 ZINC001105755587 942535409 /nfs/dbraw/zinc/53/54/09/942535409.db2.gz LQUGXQLPRDINFR-LBPRGKRZSA-N -1 3 312.329 0.862 20 30 DCEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)[C@H](O)C(F)(F)F ZINC001413409090 942960288 /nfs/dbraw/zinc/96/02/88/942960288.db2.gz QURWPDBCPNBNTL-MUWHJKNJSA-N -1 3 309.269 0.543 20 30 DCEDHM N#Cc1cnccc1N[C@@H]1CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001056722637 943367509 /nfs/dbraw/zinc/36/75/09/943367509.db2.gz RBLMIANIAPHVKM-LLVKDONJSA-N -1 3 310.317 0.197 20 30 DCEDHM C[C@H]1CN(O)C(=O)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256541594 946641622 /nfs/dbraw/zinc/64/16/22/946641622.db2.gz ODHKUUBOYOOJQF-XNCJUZBTSA-N -1 3 310.784 0.916 20 30 DCEDHM COc1cc(C)ccc1S(=O)(=O)N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001259209895 946928568 /nfs/dbraw/zinc/92/85/68/946928568.db2.gz QAUYIBNVJZRVQP-CABZTGNLSA-N -1 3 314.363 0.518 20 30 DCEDHM C=C(Cl)CN(C)C[C@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573294442 946988782 /nfs/dbraw/zinc/98/87/82/946988782.db2.gz BKYWMKOXPGHJKK-VIFPVBQESA-N -1 3 323.788 0.997 20 30 DCEDHM C=C(Cl)CN(C)C[C@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573294442 946988788 /nfs/dbraw/zinc/98/87/88/946988788.db2.gz BKYWMKOXPGHJKK-VIFPVBQESA-N -1 3 323.788 0.997 20 30 DCEDHM C=CCN(C(=O)C(=O)NCc1nc(C(F)(F)F)n[n-]1)C(C)C ZINC001261185245 947210702 /nfs/dbraw/zinc/21/07/02/947210702.db2.gz HJBVWMZDFJBRMH-UHFFFAOYSA-N -1 3 319.287 0.863 20 30 DCEDHM C=C[C@](C)(O)CC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N ZINC001573317824 947302428 /nfs/dbraw/zinc/30/24/28/947302428.db2.gz PTCSBULTTPSVDN-ZDUSSCGKSA-N -1 3 306.301 0.854 20 30 DCEDHM C=C[C@](C)(O)CC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N ZINC001573317824 947302439 /nfs/dbraw/zinc/30/24/39/947302439.db2.gz PTCSBULTTPSVDN-ZDUSSCGKSA-N -1 3 306.301 0.854 20 30 DCEDHM COc1cc(C(=O)Nc2ccncc2C#N)ccc1-c1nnn[n-]1 ZINC001570922256 948638510 /nfs/dbraw/zinc/63/85/10/948638510.db2.gz GYDYSXFUCMTISX-UHFFFAOYSA-N -1 3 321.300 0.816 20 30 DCEDHM COc1cc(C(=O)Nc2ccncc2C#N)ccc1-c1nn[n-]n1 ZINC001570922256 948638516 /nfs/dbraw/zinc/63/85/16/948638516.db2.gz GYDYSXFUCMTISX-UHFFFAOYSA-N -1 3 321.300 0.816 20 30 DCEDHM C[C@H](C(=O)NCc1nc(CNCC#N)cc(=O)[n-]1)C1CCC1 ZINC001264026631 948840662 /nfs/dbraw/zinc/84/06/62/948840662.db2.gz FEAZLVSYSUTELJ-JTQLQIEISA-N -1 3 303.366 0.848 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@H](C)CCNc1ncccc1-c1nnn[n-]1 ZINC001574685974 948925144 /nfs/dbraw/zinc/92/51/44/948925144.db2.gz CKXHZNURXOKYHY-NXEZZACHSA-N -1 3 314.353 0.728 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@H](C)CCNc1ncccc1-c1nn[n-]n1 ZINC001574685974 948925155 /nfs/dbraw/zinc/92/51/55/948925155.db2.gz CKXHZNURXOKYHY-NXEZZACHSA-N -1 3 314.353 0.728 20 30 DCEDHM C#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@H](OC)C2CCC2)n1 ZINC001264582720 949014082 /nfs/dbraw/zinc/01/40/82/949014082.db2.gz JVRHPXFGQLFBIE-HNNXBMFYSA-N -1 3 318.377 0.336 20 30 DCEDHM N#C[C@]12CN(C(=O)c3ccccc3[O-])C[C@H]1CS(=O)(=O)C2 ZINC001364377345 949147633 /nfs/dbraw/zinc/14/76/33/949147633.db2.gz TZMMXDXRHLTEOY-IINYFYTJSA-N -1 3 306.343 0.403 20 30 DCEDHM CC(C)C#CC(=O)N1CCC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001265609215 949815521 /nfs/dbraw/zinc/81/55/21/949815521.db2.gz LBOGLDNNSZGYJI-GFCCVEGCSA-N -1 3 305.382 0.498 20 30 DCEDHM N#CCN1CCC[C@](CO)(NC(=O)c2cccc3n[n-]nc32)C1 ZINC001279488901 950594637 /nfs/dbraw/zinc/59/46/37/950594637.db2.gz BHYLSEUBCWAULY-HNNXBMFYSA-N -1 3 314.349 0.038 20 30 DCEDHM C=CCN1CCC[C@@H](NC(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001490441255 950667337 /nfs/dbraw/zinc/66/73/37/950667337.db2.gz AMTCLMMKNJXBLA-LLVKDONJSA-N -1 3 309.370 0.236 20 30 DCEDHM COC(=O)c1cnc(C[N-]S(=O)(=O)CC(C)(C)C#N)s1 ZINC001365461497 951153744 /nfs/dbraw/zinc/15/37/44/951153744.db2.gz KEZWOCWWCNERSZ-UHFFFAOYSA-N -1 3 317.392 0.899 20 30 DCEDHM Cc1nc(CSCC(=O)N[C@H]2CCN([O-])C2=O)cs1 ZINC001333472707 952075761 /nfs/dbraw/zinc/07/57/61/952075761.db2.gz SMDQUOWZSSOJCK-VIFPVBQESA-N -1 3 301.393 0.791 20 30 DCEDHM O=C(CCc1nc(-c2ccncc2)no1)N[C@@H]1CCN([O-])C1=O ZINC001333489934 952078336 /nfs/dbraw/zinc/07/83/36/952078336.db2.gz AKDACAGFKVJUBM-SNVBAGLBSA-N -1 3 317.305 0.171 20 30 DCEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC001333507806 952084174 /nfs/dbraw/zinc/08/41/74/952084174.db2.gz LBTLQTCGMWIDND-RYUDHWBXSA-N -1 3 303.318 0.358 20 30 DCEDHM C#Cc1ccc(C(=O)N(C)C[C@H](C)NC(=O)c2cn[n-]n2)cn1 ZINC001337343870 952845638 /nfs/dbraw/zinc/84/56/38/952845638.db2.gz OYVCCGAGVDMNSN-JTQLQIEISA-N -1 3 312.333 0.072 20 30 DCEDHM N#Cc1ccc(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)nc1 ZINC001412763560 953079546 /nfs/dbraw/zinc/07/95/46/953079546.db2.gz YSAKLRXRAYFMDK-NSHDSACASA-N -1 3 310.317 0.458 20 30 DCEDHM CS(=O)(=O)Cc1noc([N-]C(=O)c2cc(C#N)ccn2)n1 ZINC001412827874 953117427 /nfs/dbraw/zinc/11/74/27/953117427.db2.gz FDUIYCKRWDYVDS-UHFFFAOYSA-N -1 3 307.291 0.133 20 30 DCEDHM C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001316620776 953603607 /nfs/dbraw/zinc/60/36/07/953603607.db2.gz HZTGCORLSAEDAI-RWMBFGLXSA-N -1 3 321.425 0.695 20 30 DCEDHM CC#CCN1CC([C@H](C)NC(=O)Cc2c(C)nc(C)[n-]c2=O)C1 ZINC001282745057 953668817 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ZINC001591522169 1167321841 /nfs/dbraw/zinc/32/18/41/1167321841.db2.gz BWOCFNWHUKCMJT-UHFFFAOYSA-N -1 3 302.338 0.978 20 30 DCEDHM COc1coc(Cn2c(C)nc(C#N)c2-c2nnn[n-]2)cc1=O ZINC001591659823 1167343468 /nfs/dbraw/zinc/34/34/68/1167343468.db2.gz IHQNXIYFJWLPEO-UHFFFAOYSA-N -1 3 313.277 0.253 20 30 DCEDHM COc1coc(Cn2c(C)nc(C#N)c2-c2nn[n-]n2)cc1=O ZINC001591659823 1167343472 /nfs/dbraw/zinc/34/34/72/1167343472.db2.gz IHQNXIYFJWLPEO-UHFFFAOYSA-N -1 3 313.277 0.253 20 30 DCEDHM Cc1ccnc(N2CCN(C(=O)CC#N)CC2)c1-c1nnn[n-]1 ZINC001592272436 1167483493 /nfs/dbraw/zinc/48/34/93/1167483493.db2.gz AETOLELTMMCGMH-UHFFFAOYSA-N -1 3 312.337 0.132 20 30 DCEDHM Cc1csc(NC(=O)N2CCO[C@H](C#N)C2)c1-c1nnn[n-]1 ZINC001592318013 1167486682 /nfs/dbraw/zinc/48/66/82/1167486682.db2.gz MIJBJLJKCDBKGI-MRVPVSSYSA-N -1 3 319.350 0.993 20 30 DCEDHM Cc1csc(NC(=O)N2CCO[C@H](C#N)C2)c1-c1nn[n-]n1 ZINC001592318013 1167486684 /nfs/dbraw/zinc/48/66/84/1167486684.db2.gz MIJBJLJKCDBKGI-MRVPVSSYSA-N -1 3 319.350 0.993 20 30 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DRQAXALDUDUUAS-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM N#Cc1ncc(NCc2cncc(-c3nnn[n-]3)c2)nc1C#N ZINC001592708861 1167606646 /nfs/dbraw/zinc/60/66/46/1167606646.db2.gz WEZNMOPKIRRQEO-UHFFFAOYSA-N -1 3 304.277 0.407 20 30 DCEDHM N#Cc1ncc(NCc2cncc(-c3nn[n-]n3)c2)nc1C#N ZINC001592708861 1167606649 /nfs/dbraw/zinc/60/66/49/1167606649.db2.gz WEZNMOPKIRRQEO-UHFFFAOYSA-N -1 3 304.277 0.407 20 30 DCEDHM O=C(C#CC1CC1)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001592768655 1167639940 /nfs/dbraw/zinc/63/99/40/1167639940.db2.gz OCVMXRRPPCJWBN-UHFFFAOYSA-N -1 3 323.360 0.736 20 30 DCEDHM O=C(C#CC1CC1)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001592768655 1167639943 /nfs/dbraw/zinc/63/99/43/1167639943.db2.gz OCVMXRRPPCJWBN-UHFFFAOYSA-N -1 3 323.360 0.736 20 30 DCEDHM C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC001602690376 1169160832 /nfs/dbraw/zinc/16/08/32/1169160832.db2.gz UELHPRNKIITBLR-SECBINFHSA-N -1 3 316.296 0.472 20 30 DCEDHM C#C[C@H](CC)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC001602690376 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C=CCNC(=O)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001588658507 1166576993 /nfs/dbraw/zinc/57/69/93/1166576993.db2.gz NXHWVTXRPOEXHQ-UHFFFAOYSA-N -1 3 302.294 0.257 20 30 DCEDHM C=CCn1nnnc1N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001588717306 1166581962 /nfs/dbraw/zinc/58/19/62/1166581962.db2.gz ZAGOLGCWQZFEQS-UHFFFAOYSA-N -1 3 311.353 0.718 20 30 DCEDHM C=CCn1nnnc1N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001588717306 1166581966 /nfs/dbraw/zinc/58/19/66/1166581966.db2.gz ZAGOLGCWQZFEQS-UHFFFAOYSA-N -1 3 311.353 0.718 20 30 DCEDHM CC#CCN1CCN(c2c(-c3nnn[n-]3)c(C)nn2C)CC1 ZINC001588747680 1166587790 /nfs/dbraw/zinc/58/77/90/1166587790.db2.gz QZLAJEXXXYRAQI-UHFFFAOYSA-N -1 3 300.370 0.054 20 30 DCEDHM CC#CCN1CCN(c2c(-c3nn[n-]n3)c(C)nn2C)CC1 ZINC001588747680 1166587796 /nfs/dbraw/zinc/58/77/96/1166587796.db2.gz QZLAJEXXXYRAQI-UHFFFAOYSA-N -1 3 300.370 0.054 20 30 DCEDHM CC(=O)O[C@H](C)Sc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001588886470 1166613698 /nfs/dbraw/zinc/61/36/98/1166613698.db2.gz HIWWEMYBMKGKMM-LURJTMIESA-N -1 3 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CCC[C@H](C#N)NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001590539149 1166940392 /nfs/dbraw/zinc/94/03/92/1166940392.db2.gz ZTROQGFFXYCIIS-SNVBAGLBSA-N -1 3 300.326 0.482 20 30 DCEDHM CCC[C@H](C#N)NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001590539149 1166940397 /nfs/dbraw/zinc/94/03/97/1166940397.db2.gz ZTROQGFFXYCIIS-SNVBAGLBSA-N -1 3 300.326 0.482 20 30 DCEDHM CCN([C@@H](C)C#N)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001590676178 1166964871 /nfs/dbraw/zinc/96/48/71/1166964871.db2.gz DVMSSXZGBHBLQH-JTQLQIEISA-N -1 3 320.378 0.930 20 30 DCEDHM CCN([C@@H](C)C#N)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590676178 1166964875 /nfs/dbraw/zinc/96/48/75/1166964875.db2.gz DVMSSXZGBHBLQH-JTQLQIEISA-N -1 3 320.378 0.930 20 30 DCEDHM CCOC(=O)[C@@H]1C[C@H]1Cn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001590771147 1167017416 /nfs/dbraw/zinc/01/74/16/1167017416.db2.gz ZMLDVDSPHPQASV-DTWKUNHWSA-N -1 3 301.310 0.443 20 30 DCEDHM CCOC(=O)[C@@H]1C[C@H]1Cn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001590771147 1167017422 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Cc1c(C(=O)N[C@](C)(C#N)CN(C)C)cccc1-c1nn[n-]n1 ZINC001591805954 1167382991 /nfs/dbraw/zinc/38/29/91/1167382991.db2.gz TWGNWQIKPKJZCB-OAHLLOKOSA-N -1 3 313.365 0.749 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCOC1 ZINC001592665073 1167592342 /nfs/dbraw/zinc/59/23/42/1167592342.db2.gz CIJFCKULJYHVOZ-QWHCGFSZSA-N -1 3 312.333 0.454 20 30 DCEDHM N#C[C@]1(F)CCN(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1 ZINC001592671053 1167594075 /nfs/dbraw/zinc/59/40/75/1167594075.db2.gz YYBUJUFLSCPDNQ-CQSZACIVSA-N -1 3 315.312 0.743 20 30 DCEDHM N#C[C@]1(F)CCN(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1 ZINC001592671053 1167594083 /nfs/dbraw/zinc/59/40/83/1167594083.db2.gz YYBUJUFLSCPDNQ-CQSZACIVSA-N -1 3 315.312 0.743 20 30 DCEDHM N#CC[C@]1(O)CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC001592674262 1167596418 /nfs/dbraw/zinc/59/64/18/1167596418.db2.gz CAPKBPAIPZAYFJ-KJPDOMRESA-N -1 3 324.344 0.757 20 30 DCEDHM N#CC[C@]1(O)CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC001592674262 1167596421 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DCEDHM N#CCNC[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001592678610 1167599906 /nfs/dbraw/zinc/59/99/06/1167599906.db2.gz DZDUAZLRYBHFBL-NSHDSACASA-N -1 3 314.353 0.303 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC001592698594 1167601340 /nfs/dbraw/zinc/60/13/40/1167601340.db2.gz DNHJVSAVKBQQOF-ZBEGNZNMSA-N -1 3 323.360 0.830 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC001592698594 1167601344 /nfs/dbraw/zinc/60/13/44/1167601344.db2.gz DNHJVSAVKBQQOF-ZBEGNZNMSA-N -1 3 323.360 0.830 20 30 DCEDHM N#Cc1nc(N)n(Cc2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001592704539 1167604112 /nfs/dbraw/zinc/60/41/12/1167604112.db2.gz HWJIDBWQQNWRCF-UHFFFAOYSA-N -1 3 311.265 0.474 20 30 DCEDHM N#Cc1nc(N)n(Cc2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC001592704539 1167604115 /nfs/dbraw/zinc/60/41/15/1167604115.db2.gz HWJIDBWQQNWRCF-UHFFFAOYSA-N -1 3 311.265 0.474 20 30 DCEDHM N#Cc1nc(N)n(CCc2nc3ccccc3[nH]2)c1-c1nnn[n-]1 ZINC001592704528 1167605133 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ZINC001038785053 694191374 /nfs/dbraw/zinc/19/13/74/694191374.db2.gz GZIRKPLVENASHN-LBPRGKRZSA-N -1 3 300.362 0.887 20 30 DCEDHM C#CCCN1CC[C@@H]1CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001038934108 694246379 /nfs/dbraw/zinc/24/63/79/694246379.db2.gz BBGGTYYASYDKNF-GFCCVEGCSA-N -1 3 311.341 0.398 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)C1CN(C(=O)[C@H](C)C#N)C1 ZINC001006666101 690570302 /nfs/dbraw/zinc/57/03/02/690570302.db2.gz OKPYUUQSGMRONO-BDAKNGLRSA-N -1 3 317.349 0.227 20 30 DCEDHM C[C@@H]1CC[C@H](NC(=O)c2cn[n-]n2)CN1c1ncccc1C#N ZINC001039824737 694437852 /nfs/dbraw/zinc/43/78/52/694437852.db2.gz XLTACDGERGUYJJ-PWSUYJOCSA-N -1 3 311.349 0.859 20 30 DCEDHM N#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001018188727 693059608 /nfs/dbraw/zinc/05/96/08/693059608.db2.gz COUUWQDBHDGXNW-TXEJJXNPSA-N -1 3 324.340 0.383 20 30 DCEDHM C#CCCCC(=O)N1CCC(C)(NC(=O)c2cn[n-]n2)CC1 ZINC001072982412 694691057 /nfs/dbraw/zinc/69/10/57/694691057.db2.gz MDALPJWXQVGNBW-UHFFFAOYSA-N -1 3 303.366 0.719 20 30 DCEDHM CC#CCN1CCCO[C@@H](CNC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001073738811 694775000 /nfs/dbraw/zinc/77/50/00/694775000.db2.gz DDKZQHHFYYAEGX-ZDUSSCGKSA-N -1 3 318.377 0.335 20 30 DCEDHM C[C@H](CCNC(=O)c1cnc[n-]c1=O)NC(=O)CSCC#N ZINC001744934287 1157709720 /nfs/dbraw/zinc/70/97/20/1157709720.db2.gz OBLWGGCZTYLAEB-SECBINFHSA-N -1 3 323.378 0.064 20 30 DCEDHM C#CCCCC(=O)NC[C@@H](CC)NC(=O)c1cnc[n-]c1=O ZINC001746132295 1158287762 /nfs/dbraw/zinc/28/77/62/1158287762.db2.gz FMBNXDAZXBKOOS-LLVKDONJSA-N -1 3 304.350 0.610 20 30 DCEDHM C=CCO[C@@H](C)C(=O)N[C@@H](CC)CNC(=O)c1cnc[n-]c1=O ZINC001746167062 1158294217 /nfs/dbraw/zinc/29/42/17/1158294217.db2.gz QLINCLOUNCRNIJ-QWRGUYRKSA-N -1 3 322.365 0.398 20 30 DCEDHM C=C[C@](C)(O)CC(=O)NCc1nc(CNCC#CC)cc(=O)[n-]1 ZINC001565989437 1159935864 /nfs/dbraw/zinc/93/58/64/1159935864.db2.gz KBBJBVVOYHWUBW-INIZCTEOSA-N -1 3 318.377 0.238 20 30 DCEDHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)C2CC(OC)C2)n1 ZINC001565990430 1159937340 /nfs/dbraw/zinc/93/73/40/1159937340.db2.gz MNNIFBPEDIZFOR-UHFFFAOYSA-N -1 3 318.377 0.336 20 30 DCEDHM C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]c(=O)[n-]c1=O ZINC001567859440 1160505574 /nfs/dbraw/zinc/50/55/74/1160505574.db2.gz YIUONZBLFVNLLB-UWVGGRQHSA-N -1 3 305.338 0.148 20 30 DCEDHM C=CCCC(=O)N[C@@H]1C[C@@H](C)N(C(=O)c2cnc[n-]c2=O)C1 ZINC001572403813 1163164317 /nfs/dbraw/zinc/16/43/17/1163164317.db2.gz PXQCYPNDMCTJMR-GHMZBOCLSA-N -1 3 304.350 0.868 20 30 DCEDHM Cc1cnc2c(cnn2CC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC001569676398 1161192421 /nfs/dbraw/zinc/19/24/21/1161192421.db2.gz SGFLEEIHPXBLAI-LLVKDONJSA-N -1 3 303.322 0.236 20 30 DCEDHM CC#CCN1CCC(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])(COC)CC1 ZINC001573384009 1163419746 /nfs/dbraw/zinc/41/97/46/1163419746.db2.gz BPEGSPQVNNCHAU-UONOGXRCSA-N -1 3 322.405 0.575 20 30 DCEDHM C#Cc1ccc(C(=O)NCCCNC(=O)c2cnc[n-]c2=O)cc1 ZINC001575956176 1164192776 /nfs/dbraw/zinc/19/27/76/1164192776.db2.gz RNNYRXAHLJFTPC-UHFFFAOYSA-N -1 3 324.340 0.713 20 30 DCEDHM CC[C@H](CNC(=O)[C@H](C)C#N)Nc1ncccc1-c1nnn[n-]1 ZINC001576767554 1164455687 /nfs/dbraw/zinc/45/56/87/1164455687.db2.gz VBAKQXXZWZKHLG-NXEZZACHSA-N -1 3 314.353 0.728 20 30 DCEDHM CC[C@H](CNC(=O)[C@H](C)C#N)Nc1ncccc1-c1nn[n-]n1 ZINC001576767554 1164455691 /nfs/dbraw/zinc/45/56/91/1164455691.db2.gz VBAKQXXZWZKHLG-NXEZZACHSA-N -1 3 314.353 0.728 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)N(C)CCCNC(=O)C#CC(C)C ZINC001577013064 1164583223 /nfs/dbraw/zinc/58/32/23/1164583223.db2.gz XMPFUNADTULSNO-UHFFFAOYSA-N -1 3 318.377 0.728 20 30 DCEDHM COc1cc(C(=O)Nc2cnn(CC#N)c2)ccc1-c1nnn[n-]1 ZINC001579915477 1165435276 /nfs/dbraw/zinc/43/52/76/1165435276.db2.gz GQYOXYYSTBEXIM-UHFFFAOYSA-N -1 3 324.304 0.848 20 30 DCEDHM COc1cc(C(=O)Nc2cnn(CC#N)c2)ccc1-c1nn[n-]n1 ZINC001579915477 1165435277 /nfs/dbraw/zinc/43/52/77/1165435277.db2.gz GQYOXYYSTBEXIM-UHFFFAOYSA-N -1 3 324.304 0.848 20 30 DCEDHM CC(C)C#CC(=O)N[C@H](C)CCNC(=O)c1cnc[n-]c1=O ZINC001580382583 1165591500 /nfs/dbraw/zinc/59/15/00/1165591500.db2.gz NSDUTBSQXVYYLH-LLVKDONJSA-N -1 3 304.350 0.466 20 30 DCEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)NCC1(C#N)CCOCC1 ZINC001580463542 1165611682 /nfs/dbraw/zinc/61/16/82/1165611682.db2.gz KKJHQRVDHQONLL-UHFFFAOYSA-N -1 3 315.337 0.553 20 30 DCEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)NCC1(C#N)CCOCC1 ZINC001580463542 1165611685 /nfs/dbraw/zinc/61/16/85/1165611685.db2.gz KKJHQRVDHQONLL-UHFFFAOYSA-N -1 3 315.337 0.553 20 30 DCEDHM Cc1nc(NCCNC(=O)[C@H](C)C#N)ccc1-c1nn[n-]n1 ZINC001581522844 1165838903 /nfs/dbraw/zinc/83/89/03/1165838903.db2.gz HSYHYMPBJVIZHE-MRVPVSSYSA-N -1 3 300.326 0.258 20 30 DCEDHM N#CCCNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001581858035 1165889860 /nfs/dbraw/zinc/88/98/60/1165889860.db2.gz ODZXOFHJAKTVBK-UHFFFAOYSA-N -1 3 310.314 0.339 20 30 DCEDHM N#CCCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001581858035 1165889867 /nfs/dbraw/zinc/88/98/67/1165889867.db2.gz ODZXOFHJAKTVBK-UHFFFAOYSA-N -1 3 310.314 0.339 20 30 DCEDHM N#CCN[C@H]1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001581857944 1165890398 /nfs/dbraw/zinc/89/03/98/1165890398.db2.gz KXSZNEZOHCNLBK-QWRGUYRKSA-N -1 3 314.353 0.349 20 30 DCEDHM N#CCN[C@H]1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001581857944 1165890405 /nfs/dbraw/zinc/89/04/05/1165890405.db2.gz KXSZNEZOHCNLBK-QWRGUYRKSA-N -1 3 314.353 0.349 20 30 DCEDHM N#C[C@H]1C[C@H]1C(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001581860045 1165890899 /nfs/dbraw/zinc/89/08/99/1165890899.db2.gz IDNDVSQZPFHVRV-LDYMZIIASA-N -1 3 321.304 0.546 20 30 DCEDHM N#C[C@H]1C[C@H]1C(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001581860045 1165890904 /nfs/dbraw/zinc/89/09/04/1165890904.db2.gz IDNDVSQZPFHVRV-LDYMZIIASA-N -1 3 321.304 0.546 20 30 DCEDHM N#Cc1ncn(CC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC001581886033 1165904743 /nfs/dbraw/zinc/90/47/43/1165904743.db2.gz WNIXSJPJCIMGHS-UHFFFAOYSA-N -1 3 318.300 0.618 20 30 DCEDHM N#Cc1ncn(CC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC001581886033 1165904749 /nfs/dbraw/zinc/90/47/49/1165904749.db2.gz WNIXSJPJCIMGHS-UHFFFAOYSA-N -1 3 318.300 0.618 20 30 DCEDHM C#CC[C@H]1NC(=O)N([C@H](C)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588337440 1166531068 /nfs/dbraw/zinc/53/10/68/1166531068.db2.gz PSHFWSKQCOCJQG-BXKDBHETSA-N -1 3 310.317 0.871 20 30 DCEDHM C#CC[C@H]1NC(=O)N([C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588337440 1166531078 /nfs/dbraw/zinc/53/10/78/1166531078.db2.gz PSHFWSKQCOCJQG-BXKDBHETSA-N -1 3 310.317 0.871 20 30 DCEDHM C#CCC1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001588335224 1166532825 /nfs/dbraw/zinc/53/28/25/1166532825.db2.gz CVSROVBFZZAELP-UHFFFAOYSA-N -1 3 300.322 0.185 20 30 DCEDHM C#CCC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001588335224 1166532833 /nfs/dbraw/zinc/53/28/33/1166532833.db2.gz CVSROVBFZZAELP-UHFFFAOYSA-N -1 3 300.322 0.185 20 30 DCEDHM C#CC[C@H]1NC(=O)N(Cc2cc(-c3nnn[n-]3)ccc2F)C1=O ZINC001588336500 1166533598 /nfs/dbraw/zinc/53/35/98/1166533598.db2.gz BEVVSSBPNVRXGJ-LLVKDONJSA-N -1 3 314.280 0.450 20 30 DCEDHM C#CC[C@H]1NC(=O)N(Cc2cc(-c3nn[n-]n3)ccc2F)C1=O ZINC001588336500 1166533603 /nfs/dbraw/zinc/53/36/03/1166533603.db2.gz BEVVSSBPNVRXGJ-LLVKDONJSA-N -1 3 314.280 0.450 20 30 DCEDHM C#CCN(C(=O)c1cc(C)c(-c2nnn[n-]2)cn1)C1CSC1 ZINC001588348566 1166536908 /nfs/dbraw/zinc/53/69/08/1166536908.db2.gz BLAZIFPRROXYSW-UHFFFAOYSA-N -1 3 314.374 0.761 20 30 DCEDHM C#CCN(C(=O)c1cc(C)c(-c2nn[n-]n2)cn1)C1CSC1 ZINC001588348566 1166536915 /nfs/dbraw/zinc/53/69/15/1166536915.db2.gz BLAZIFPRROXYSW-UHFFFAOYSA-N -1 3 314.374 0.761 20 30 DCEDHM C#CCN(C)c1nnc(-c2cnc(C)c(-c3nnn[n-]3)c2)n1C ZINC001588349953 1166539754 /nfs/dbraw/zinc/53/97/54/1166539754.db2.gz VENBUGLRNNWBTG-UHFFFAOYSA-N -1 3 309.337 0.435 20 30 DCEDHM C#CCN(C)c1nnc(-c2cnc(C)c(-c3nn[n-]n3)c2)n1C ZINC001588349953 1166539757 /nfs/dbraw/zinc/53/97/57/1166539757.db2.gz VENBUGLRNNWBTG-UHFFFAOYSA-N -1 3 309.337 0.435 20 30 DCEDHM C#CCN1CCCN(C(=O)c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588352543 1166542854 /nfs/dbraw/zinc/54/28/54/1166542854.db2.gz NSIZDTVOPSGSOD-UHFFFAOYSA-N -1 3 311.349 0.043 20 30 DCEDHM C#CCN1CCCN(C(=O)c2cccc(-c3nn[n-]n3)n2)CC1 ZINC001588352543 1166542860 /nfs/dbraw/zinc/54/28/60/1166542860.db2.gz NSIZDTVOPSGSOD-UHFFFAOYSA-N -1 3 311.349 0.043 20 30 DCEDHM C=C(C)CN1CC(N(C)C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001588429817 1166555419 /nfs/dbraw/zinc/55/54/19/1166555419.db2.gz HDVJBUNJNVTJKZ-UHFFFAOYSA-N -1 3 301.354 0.527 20 30 DCEDHM C=C(C)CN1CC(N(C)C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001588429817 1166555432 /nfs/dbraw/zinc/55/54/32/1166555432.db2.gz HDVJBUNJNVTJKZ-UHFFFAOYSA-N -1 3 301.354 0.527 20 30 DCEDHM C=C1CN(C(=O)Nc2cnn(-c3ncccc3-c3nnn[n-]3)c2)C1 ZINC001588462594 1166556803 /nfs/dbraw/zinc/55/68/03/1166556803.db2.gz LPXSIYZABKGFAX-UHFFFAOYSA-N -1 3 323.320 0.851 20 30 DCEDHM C=C1CN(C(=O)Nc2cnn(-c3ncccc3-c3nn[n-]n3)c2)C1 ZINC001588462594 1166556817 /nfs/dbraw/zinc/55/68/17/1166556817.db2.gz LPXSIYZABKGFAX-UHFFFAOYSA-N -1 3 323.320 0.851 20 30 DCEDHM C=C[C@H](O)c1nnc(N2Cc3cccc(-c4nnn[n-]4)c3C2)n1C ZINC001588525396 1166559053 /nfs/dbraw/zinc/55/90/53/1166559053.db2.gz HAENIMUYBDIAMI-LBPRGKRZSA-N -1 3 324.348 0.735 20 30 DCEDHM C=C[C@H](O)c1nnc(N2Cc3cccc(-c4nn[n-]n4)c3C2)n1C ZINC001588525396 1166559059 /nfs/dbraw/zinc/55/90/59/1166559059.db2.gz HAENIMUYBDIAMI-LBPRGKRZSA-N -1 3 324.348 0.735 20 30 DCEDHM C=CCN1CC(=O)N(Cc2cc(-c3nnn[n-]3)ccc2F)C1=O ZINC001588654881 1166573120 /nfs/dbraw/zinc/57/31/20/1166573120.db2.gz QLJRXFLGGNKEIL-UHFFFAOYSA-N -1 3 316.296 0.956 20 30 DCEDHM C=CCN1CC(=O)N(Cc2cc(-c3nn[n-]n3)ccc2F)C1=O ZINC001588654881 1166573130 /nfs/dbraw/zinc/57/31/30/1166573130.db2.gz QLJRXFLGGNKEIL-UHFFFAOYSA-N -1 3 316.296 0.956 20 30 DCEDHM C=CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001588665069 1166579419 /nfs/dbraw/zinc/57/94/19/1166579419.db2.gz DHEDWIMXTWAGGL-SNVBAGLBSA-N -1 3 317.309 0.951 20 30 DCEDHM C=CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001588665069 1166579427 /nfs/dbraw/zinc/57/94/27/1166579427.db2.gz DHEDWIMXTWAGGL-SNVBAGLBSA-N -1 3 317.309 0.951 20 30 DCEDHM C=C[C@H](CO)N[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001588728181 1166582014 /nfs/dbraw/zinc/58/20/14/1166582014.db2.gz NUYKZTGCIBCZDF-VXGBXAGGSA-N -1 3 303.322 0.217 20 30 DCEDHM C=C[C@H](CO)N[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001588728181 1166582022 /nfs/dbraw/zinc/58/20/22/1166582022.db2.gz NUYKZTGCIBCZDF-VXGBXAGGSA-N -1 3 303.322 0.217 20 30 DCEDHM CC#CC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC001588738941 1166583574 /nfs/dbraw/zinc/58/35/74/1166583574.db2.gz WJBHOLPVWCAHRF-UHFFFAOYSA-N -1 3 310.361 0.929 20 30 DCEDHM CC#CC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC001588738941 1166583578 /nfs/dbraw/zinc/58/35/78/1166583578.db2.gz WJBHOLPVWCAHRF-UHFFFAOYSA-N -1 3 310.361 0.929 20 30 DCEDHM CC#CC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001588738464 1166585376 /nfs/dbraw/zinc/58/53/76/1166585376.db2.gz OUQCGOCGOXHMDD-GFCCVEGCSA-N -1 3 303.297 0.962 20 30 DCEDHM CC#CCCCC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588744370 1166585448 /nfs/dbraw/zinc/58/54/48/1166585448.db2.gz YFWKHZXYNBZXMT-UHFFFAOYSA-N -1 3 313.365 0.983 20 30 DCEDHM CC#CCCCC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588744370 1166585456 /nfs/dbraw/zinc/58/54/56/1166585456.db2.gz YFWKHZXYNBZXMT-UHFFFAOYSA-N -1 3 313.365 0.983 20 30 DCEDHM C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)cn1 ZINC001588928516 1166615834 /nfs/dbraw/zinc/61/58/34/1166615834.db2.gz CWFHZBRNUPXKDL-USWWRNFRSA-N -1 3 324.348 0.211 20 30 DCEDHM C[C@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)cn1 ZINC001588928516 1166615841 /nfs/dbraw/zinc/61/58/41/1166615841.db2.gz CWFHZBRNUPXKDL-USWWRNFRSA-N -1 3 324.348 0.211 20 30 DCEDHM C[C@H](C#N)C(=O)NC/C=C\CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588929017 1166618278 /nfs/dbraw/zinc/61/82/78/1166618278.db2.gz DJTDBFKWUGOVQS-MXQLGCADSA-N -1 3 312.337 0.506 20 30 DCEDHM C[C@H](C#N)C(=O)NC/C=C\CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588929017 1166618285 /nfs/dbraw/zinc/61/82/85/1166618285.db2.gz DJTDBFKWUGOVQS-MXQLGCADSA-N -1 3 312.337 0.506 20 30 DCEDHM 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ZINC001588658571 1166575280 /nfs/dbraw/zinc/57/52/80/1166575280.db2.gz QEHBVUIZZHMRPE-UHFFFAOYSA-N -1 3 317.309 0.797 20 30 DCEDHM C=CCS(=O)(=O)CCOc1ccc(-c2nnn[n-]2)cc1OC ZINC001588689052 1166582899 /nfs/dbraw/zinc/58/28/99/1166582899.db2.gz WRHXWLRSMZBWOV-UHFFFAOYSA-N -1 3 324.362 0.855 20 30 DCEDHM C=CCS(=O)(=O)CCOc1ccc(-c2nn[n-]n2)cc1OC ZINC001588689052 1166582902 /nfs/dbraw/zinc/58/29/02/1166582902.db2.gz WRHXWLRSMZBWOV-UHFFFAOYSA-N -1 3 324.362 0.855 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001588738664 1166585141 /nfs/dbraw/zinc/58/51/41/1166585141.db2.gz PZYMBSLLVRQKKL-VIFPVBQESA-N -1 3 320.378 0.502 20 30 DCEDHM CC(=NN[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC001588776535 1166586506 /nfs/dbraw/zinc/58/65/06/1166586506.db2.gz QSRPSRWABFGZOB-LBPRGKRZSA-N -1 3 320.378 0.367 20 30 DCEDHM CC(=NN[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC001588776535 1166586511 /nfs/dbraw/zinc/58/65/11/1166586511.db2.gz QSRPSRWABFGZOB-LBPRGKRZSA-N -1 3 320.378 0.367 20 30 DCEDHM C[C@@H](C#N)CNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588934755 1166619019 /nfs/dbraw/zinc/61/90/19/1166619019.db2.gz SXRVNSDFTPBRRH-QMMMGPOBSA-N -1 3 324.341 0.585 20 30 DCEDHM C[C@@H](C#N)CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588934755 1166619023 /nfs/dbraw/zinc/61/90/23/1166619023.db2.gz SXRVNSDFTPBRRH-QMMMGPOBSA-N -1 3 324.341 0.585 20 30 DCEDHM C[C@H](C#N)OCCOC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588934749 1166619280 /nfs/dbraw/zinc/61/92/80/1166619280.db2.gz SQCVUAURWJYCRJ-SNVBAGLBSA-N -1 3 301.306 0.881 20 30 DCEDHM C[C@H](C#N)OCCOC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588934749 1166619285 /nfs/dbraw/zinc/61/92/85/1166619285.db2.gz SQCVUAURWJYCRJ-SNVBAGLBSA-N -1 3 301.306 0.881 20 30 DCEDHM C[C@@H](CC#N)NS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001589788207 1166687158 /nfs/dbraw/zinc/68/71/58/1166687158.db2.gz VMAVTWVDGMQFRA-QMMMGPOBSA-N -1 3 324.341 0.727 20 30 DCEDHM C[C@@H](CC#N)NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001589788207 1166687166 /nfs/dbraw/zinc/68/71/66/1166687166.db2.gz VMAVTWVDGMQFRA-QMMMGPOBSA-N -1 3 324.341 0.727 20 30 DCEDHM CC(CN1C(=O)CCC1=O)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC001589849521 1166700557 /nfs/dbraw/zinc/70/05/57/1166700557.db2.gz PLJZUYWOCKNVEQ-UHFFFAOYSA-N -1 3 313.321 0.804 20 30 DCEDHM CC(CN1C(=O)CCC1=O)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC001589849521 1166700562 /nfs/dbraw/zinc/70/05/62/1166700562.db2.gz PLJZUYWOCKNVEQ-UHFFFAOYSA-N -1 3 313.321 0.804 20 30 DCEDHM COCCN(CC#N)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001591422047 1167278030 /nfs/dbraw/zinc/27/80/30/1167278030.db2.gz RZEFHVUKVQCVSH-UHFFFAOYSA-N -1 3 321.366 0.339 20 30 DCEDHM COCCN(CC#N)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001591422047 1167278036 /nfs/dbraw/zinc/27/80/36/1167278036.db2.gz RZEFHVUKVQCVSH-UHFFFAOYSA-N -1 3 321.366 0.339 20 30 DCEDHM COCCN(CC#N)C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001591421771 1167278372 /nfs/dbraw/zinc/27/83/72/1167278372.db2.gz IHQUBKXWNNXLHC-UHFFFAOYSA-N -1 3 316.321 0.487 20 30 DCEDHM COCCN(CC#N)C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001591421771 1167278379 /nfs/dbraw/zinc/27/83/79/1167278379.db2.gz IHQUBKXWNNXLHC-UHFFFAOYSA-N -1 3 316.321 0.487 20 30 DCEDHM COCCN(CC#N)C(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591422017 1167279340 /nfs/dbraw/zinc/27/93/40/1167279340.db2.gz PZAOZZWRWRQVBN-UHFFFAOYSA-N -1 3 300.322 0.408 20 30 DCEDHM COCCN(CC#N)C(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591422017 1167279344 /nfs/dbraw/zinc/27/93/44/1167279344.db2.gz PZAOZZWRWRQVBN-UHFFFAOYSA-N -1 3 300.322 0.408 20 30 DCEDHM COc1ccc2c(c1)C[C@@H](Cn1cnc(C#N)c1-c1nnn[n-]1)O2 ZINC001591625947 1167342154 /nfs/dbraw/zinc/34/21/54/1167342154.db2.gz DOAMRPJPXUWIIQ-NSHDSACASA-N -1 3 323.316 0.947 20 30 DCEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@](C)(C#N)C1 ZINC001592097753 1167453644 /nfs/dbraw/zinc/45/36/44/1167453644.db2.gz VKFFDKHNYBSHPM-OAHLLOKOSA-N -1 3 312.333 0.930 20 30 DCEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@](C)(C#N)C1 ZINC001592097753 1167453648 /nfs/dbraw/zinc/45/36/48/1167453648.db2.gz VKFFDKHNYBSHPM-OAHLLOKOSA-N -1 3 312.333 0.930 20 30 DCEDHM Cc1nn(Cc2cccc(-c3nnn[n-]3)c2)c(=O)c(C#N)c1C ZINC001592438337 1167522624 /nfs/dbraw/zinc/52/26/24/1167522624.db2.gz YBHBDBGZTUIPKX-UHFFFAOYSA-N -1 3 307.317 0.960 20 30 DCEDHM Cc1nn(Cc2cccc(-c3nn[n-]n3)c2)c(=O)c(C#N)c1C ZINC001592438337 1167522628 /nfs/dbraw/zinc/52/26/28/1167522628.db2.gz YBHBDBGZTUIPKX-UHFFFAOYSA-N -1 3 307.317 0.960 20 30 DCEDHM N#CC1(CC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001592667616 1167592437 /nfs/dbraw/zinc/59/24/37/1167592437.db2.gz ZZADDFCSRWHKDI-UHFFFAOYSA-N -1 3 312.337 0.484 20 30 DCEDHM N#CC1(CC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001592667616 1167592442 /nfs/dbraw/zinc/59/24/42/1167592442.db2.gz ZZADDFCSRWHKDI-UHFFFAOYSA-N -1 3 312.337 0.484 20 30 DCEDHM N#CC[C@]1(O)CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC001592674261 1167595753 /nfs/dbraw/zinc/59/57/53/1167595753.db2.gz CAPKBPAIPZAYFJ-JFDDCEBESA-N -1 3 324.344 0.757 20 30 DCEDHM N#CC[C@]1(O)CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC001592674261 1167595756 /nfs/dbraw/zinc/59/57/56/1167595756.db2.gz CAPKBPAIPZAYFJ-JFDDCEBESA-N -1 3 324.344 0.757 20 30 DCEDHM N#CCN1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001592677496 1167599487 /nfs/dbraw/zinc/59/94/87/1167599487.db2.gz FMFUMELWAITDRZ-LLVKDONJSA-N -1 3 314.353 0.303 20 30 DCEDHM N#CCN1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001592677496 1167599493 /nfs/dbraw/zinc/59/94/93/1167599493.db2.gz FMFUMELWAITDRZ-LLVKDONJSA-N -1 3 314.353 0.303 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1C[C@H](CCO)[C@H](CO)C1 ZINC001592697921 1167601515 /nfs/dbraw/zinc/60/15/15/1167601515.db2.gz BONPILUVCDPIFG-RYUDHWBXSA-N -1 3 314.349 0.165 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1C[C@H](CCO)[C@H](CO)C1 ZINC001592697921 1167601519 /nfs/dbraw/zinc/60/15/19/1167601519.db2.gz BONPILUVCDPIFG-RYUDHWBXSA-N -1 3 314.349 0.165 20 30 DCEDHM N#Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cn2)ccn1 ZINC001592687728 1167603145 /nfs/dbraw/zinc/60/31/45/1167603145.db2.gz BLJLZCPENBAAJN-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM N#Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cn2)ccn1 ZINC001592687728 1167603146 /nfs/dbraw/zinc/60/31/46/1167603146.db2.gz BLJLZCPENBAAJN-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM N#Cc1cncn(Cc2ccc(Cl)cc2-c2nnn[n-]2)c1=O ZINC001592703904 1167604074 /nfs/dbraw/zinc/60/40/74/1167604074.db2.gz HFDHJVFOCIYEFW-UHFFFAOYSA-N -1 3 313.708 0.997 20 30 DCEDHM N#Cc1cncn(Cc2ccc(Cl)cc2-c2nn[n-]n2)c1=O ZINC001592703904 1167604077 /nfs/dbraw/zinc/60/40/77/1167604077.db2.gz HFDHJVFOCIYEFW-UHFFFAOYSA-N -1 3 313.708 0.997 20 30 DCEDHM N#Cc1nc(N)n(CC2(Br)CC2)c1-c1nnn[n-]1 ZINC001592706594 1167607315 /nfs/dbraw/zinc/60/73/15/1167607315.db2.gz ZMJRXXXZBAMWKH-UHFFFAOYSA-N -1 3 309.131 0.445 20 30 DCEDHM N#Cc1nc(N)n(CC2(Br)CC2)c1-c1nn[n-]n1 ZINC001592706594 1167607318 /nfs/dbraw/zinc/60/73/18/1167607318.db2.gz ZMJRXXXZBAMWKH-UHFFFAOYSA-N -1 3 309.131 0.445 20 30 DCEDHM N#Cc1ncn(Cc2nc(-c3ccccn3)no2)c1-c1nnn[n-]1 ZINC001592709611 1167609366 /nfs/dbraw/zinc/60/93/66/1167609366.db2.gz KQUOSFVGULTXJX-UHFFFAOYSA-N -1 3 320.276 0.428 20 30 DCEDHM O=C(C#CC1CC1)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001592766435 1167640455 /nfs/dbraw/zinc/64/04/55/1167640455.db2.gz MMUSPJNKRINYPC-ZDUSSCGKSA-N -1 3 323.360 0.688 20 30 DCEDHM O=C(C#CC1CC1)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001592766435 1167640462 /nfs/dbraw/zinc/64/04/62/1167640462.db2.gz MMUSPJNKRINYPC-ZDUSSCGKSA-N -1 3 323.360 0.688 20 30 DCEDHM C#CCC1(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001602699630 1169164113 /nfs/dbraw/zinc/16/41/13/1169164113.db2.gz JPOMMPLCAYMKJM-UHFFFAOYSA-N -1 3 300.322 0.497 20 30 DCEDHM C#CCC1(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001602699630 1169164118 /nfs/dbraw/zinc/16/41/18/1169164118.db2.gz JPOMMPLCAYMKJM-UHFFFAOYSA-N -1 3 300.322 0.497 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001602697230 1169164319 /nfs/dbraw/zinc/16/43/19/1169164319.db2.gz KXDVWHVOFLRFKA-VIFPVBQESA-N -1 3 310.317 0.462 20 30 DCEDHM C#CCN(CC#C)c1nnc(-c2ccc(-c3nnn[n-]3)n2C)n1C ZINC001602719618 1169169437 /nfs/dbraw/zinc/16/94/37/1169169437.db2.gz DJIBBTDACYAUKD-UHFFFAOYSA-N -1 3 321.348 0.074 20 30 DCEDHM C#CCN(CC#C)c1nnc(-c2ccc(-c3nn[n-]n3)n2C)n1C ZINC001602719618 1169169441 /nfs/dbraw/zinc/16/94/41/1169169441.db2.gz DJIBBTDACYAUKD-UHFFFAOYSA-N -1 3 321.348 0.074 20 30 DCEDHM C#CCN(CC#N)C(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001602719665 1169169471 /nfs/dbraw/zinc/16/94/71/1169169471.db2.gz FYGHVLCXYYCODR-UHFFFAOYSA-N -1 3 306.329 0.884 20 30 DCEDHM C#CCN(CC#N)C(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001602719665 1169169479 /nfs/dbraw/zinc/16/94/79/1169169479.db2.gz FYGHVLCXYYCODR-UHFFFAOYSA-N -1 3 306.329 0.884 20 30 DCEDHM C#CCNC(=O)CN1CCN(C[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001602725515 1169172838 /nfs/dbraw/zinc/17/28/38/1169172838.db2.gz WONZVORIXHHNIG-HUUCEWRRSA-N -1 3 321.421 0.244 20 30 DCEDHM C#Cc1ccc(C(=O)NCc2cncc(-c3nnn[n-]3)c2)cn1 ZINC001602739660 1169176815 /nfs/dbraw/zinc/17/68/15/1169176815.db2.gz MNOILYWRFLQLCD-UHFFFAOYSA-N -1 3 305.301 0.568 20 30 DCEDHM C#Cc1ccc(C(=O)NCc2cncc(-c3nn[n-]n3)c2)cn1 ZINC001602739660 1169176816 /nfs/dbraw/zinc/17/68/16/1169176816.db2.gz MNOILYWRFLQLCD-UHFFFAOYSA-N -1 3 305.301 0.568 20 30 DCEDHM C=CCN(CCOC)Cc1cnc2c(-c3nnn[n-]3)cnn2c1 ZINC001602852142 1169192698 /nfs/dbraw/zinc/19/26/98/1169192698.db2.gz JSOMNCLTZRVVCT-UHFFFAOYSA-N -1 3 314.353 0.544 20 30 DCEDHM C=CCN(CCOC)Cc1cnc2c(-c3nn[n-]n3)cnn2c1 ZINC001602852142 1169192704 /nfs/dbraw/zinc/19/27/04/1169192704.db2.gz JSOMNCLTZRVVCT-UHFFFAOYSA-N -1 3 314.353 0.544 20 30 DCEDHM C=CCN1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)c(N)n2)C1=O ZINC001602862154 1169194248 /nfs/dbraw/zinc/19/42/48/1169194248.db2.gz FASBXWIEMNROPS-SNVBAGLBSA-N -1 3 314.353 0.067 20 30 DCEDHM C=CCN1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)c(N)n2)C1=O ZINC001602862154 1169194252 /nfs/dbraw/zinc/19/42/52/1169194252.db2.gz FASBXWIEMNROPS-SNVBAGLBSA-N -1 3 314.353 0.067 20 30 DCEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)n2C)nnc1N(C)OC ZINC001602876473 1169198627 /nfs/dbraw/zinc/19/86/27/1169198627.db2.gz WVLAXSRKGFODQR-UHFFFAOYSA-N -1 3 315.341 0.647 20 30 DCEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)n2C)nnc1N(C)OC ZINC001602876473 1169198630 /nfs/dbraw/zinc/19/86/30/1169198630.db2.gz WVLAXSRKGFODQR-UHFFFAOYSA-N -1 3 315.341 0.647 20 30 DCEDHM CC(C)(C#N)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001603034488 1169236421 /nfs/dbraw/zinc/23/64/21/1169236421.db2.gz DTGPXZOLBRHUFS-UHFFFAOYSA-N -1 3 300.326 0.340 20 30 DCEDHM CC(C)(C#N)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001603034488 1169236418 /nfs/dbraw/zinc/23/64/18/1169236418.db2.gz DTGPXZOLBRHUFS-UHFFFAOYSA-N -1 3 300.326 0.340 20 30 DCEDHM C[C@H](C#N)C(=O)NC[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001603520649 1169316882 /nfs/dbraw/zinc/31/68/82/1169316882.db2.gz IEXJJLNKDCEFAK-VHSXEESVSA-N -1 3 314.353 0.586 20 30 DCEDHM C[C@H](C#N)C(=O)NC[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001603520649 1169316886 /nfs/dbraw/zinc/31/68/86/1169316886.db2.gz IEXJJLNKDCEFAK-VHSXEESVSA-N -1 3 314.353 0.586 20 30 DCEDHM C[C@]1(C#N)CN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CCO1 ZINC001603738146 1169374362 /nfs/dbraw/zinc/37/43/62/1169374362.db2.gz LMNMWVPXJOTDNA-LBPRGKRZSA-N -1 3 316.281 0.289 20 30 DCEDHM C[C@]1(C#N)CN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CCO1 ZINC001603738146 1169374372 /nfs/dbraw/zinc/37/43/72/1169374372.db2.gz LMNMWVPXJOTDNA-LBPRGKRZSA-N -1 3 316.281 0.289 20 30 DCEDHM CCN(CC#N)C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC001604273252 1169540631 /nfs/dbraw/zinc/54/06/31/1169540631.db2.gz DTPGOVPBLYFPPR-UHFFFAOYSA-N -1 3 316.321 0.626 20 30 DCEDHM CCN(CC#N)C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC001604273252 1169540638 /nfs/dbraw/zinc/54/06/38/1169540638.db2.gz DTPGOVPBLYFPPR-UHFFFAOYSA-N -1 3 316.321 0.626 20 30 DCEDHM COCC[C@@](C)(C#N)NC(=O)c1cscc1-c1nnn[n-]1 ZINC001605074997 1169812315 /nfs/dbraw/zinc/81/23/15/1169812315.db2.gz KKBCQSYANCTORD-LBPRGKRZSA-N -1 3 306.351 0.977 20 30 DCEDHM COCC[C@@](C)(C#N)NC(=O)c1cscc1-c1nn[n-]n1 ZINC001605074997 1169812322 /nfs/dbraw/zinc/81/23/22/1169812322.db2.gz KKBCQSYANCTORD-LBPRGKRZSA-N -1 3 306.351 0.977 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@](F)(C#N)C1 ZINC001605158777 1169854094 /nfs/dbraw/zinc/85/40/94/1169854094.db2.gz HADGFVOOBSJHAI-CQSZACIVSA-N -1 3 316.296 0.953 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@](F)(C#N)C1 ZINC001605158777 1169854106 /nfs/dbraw/zinc/85/41/06/1169854106.db2.gz HADGFVOOBSJHAI-CQSZACIVSA-N -1 3 316.296 0.953 20 30 DCEDHM Cn1cnnc1NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001606269130 1170142294 /nfs/dbraw/zinc/14/22/94/1170142294.db2.gz JKPOJUBMBKNDLH-LLVKDONJSA-N -1 3 323.320 0.316 20 30 DCEDHM N#CCC(=O)N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001606345189 1170164704 /nfs/dbraw/zinc/16/47/04/1170164704.db2.gz FIPDBQKNYVKSAS-UHFFFAOYSA-N -1 3 315.312 0.568 20 30 DCEDHM N#CCC(=O)N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001606345189 1170164707 /nfs/dbraw/zinc/16/47/07/1170164707.db2.gz FIPDBQKNYVKSAS-UHFFFAOYSA-N -1 3 315.312 0.568 20 30 DCEDHM N#C[C@@H]1CN(C[C@H](O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001606345360 1170165338 /nfs/dbraw/zinc/16/53/38/1170165338.db2.gz IGAGUQNYPSAOEI-OLZOCXBDSA-N -1 3 300.322 0.124 20 30 DCEDHM N#C[C@@H]1CN(C[C@H](O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001606345360 1170165345 /nfs/dbraw/zinc/16/53/45/1170165345.db2.gz IGAGUQNYPSAOEI-OLZOCXBDSA-N -1 3 300.322 0.124 20 30 DCEDHM N#CCC1CN(C[C@H](O)COc2ccccc2-c2nnn[n-]2)C1 ZINC001606346372 1170165784 /nfs/dbraw/zinc/16/57/84/1170165784.db2.gz OYGGQDDLBXAMHF-LBPRGKRZSA-N -1 3 314.349 0.452 20 30 DCEDHM N#CCC1CN(C[C@H](O)COc2ccccc2-c2nn[n-]n2)C1 ZINC001606346372 1170165788 /nfs/dbraw/zinc/16/57/88/1170165788.db2.gz OYGGQDDLBXAMHF-LBPRGKRZSA-N -1 3 314.349 0.452 20 30 DCEDHM N#Cc1ccc(C(=O)NCc2cncc(-c3nnn[n-]3)c2)cn1 ZINC001606367359 1170171908 /nfs/dbraw/zinc/17/19/08/1170171908.db2.gz HOVKVCWXWSGOAJ-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM N#Cc1ccc(C(=O)NCc2cncc(-c3nn[n-]n3)c2)cn1 ZINC001606367359 1170171911 /nfs/dbraw/zinc/17/19/11/1170171911.db2.gz HOVKVCWXWSGOAJ-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM N#Cc1ccc(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)cc1-c1nnn[n-]1 ZINC001606372522 1170172731 /nfs/dbraw/zinc/17/27/31/1170172731.db2.gz GDGNRRLHMHVSIS-OASPWFOLSA-N -1 3 308.301 0.902 20 30 DCEDHM N#Cc1ccc(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)cc1-c1nn[n-]n1 ZINC001606372522 1170172739 /nfs/dbraw/zinc/17/27/39/1170172739.db2.gz GDGNRRLHMHVSIS-OASPWFOLSA-N -1 3 308.301 0.902 20 30 DCEDHM O=C1C=COC2(CCN(c3nnccc3-c3nnn[n-]3)CC2)C1 ZINC001607037896 1170362757 /nfs/dbraw/zinc/36/27/57/1170362757.db2.gz MWWGIQOOHBVSQG-UHFFFAOYSA-N -1 3 313.321 0.499 20 30 DCEDHM O=C1C=COC2(CCN(c3nnccc3-c3nn[n-]n3)CC2)C1 ZINC001607037896 1170362762 /nfs/dbraw/zinc/36/27/62/1170362762.db2.gz MWWGIQOOHBVSQG-UHFFFAOYSA-N -1 3 313.321 0.499 20 30 DCEDHM C#CCN(CC#C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001609020689 1170785922 /nfs/dbraw/zinc/78/59/22/1170785922.db2.gz CBVASHVFVHAENH-UHFFFAOYSA-N -1 3 322.328 0.209 20 30 DCEDHM C#CCN(CC#C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001609020689 1170785928 /nfs/dbraw/zinc/78/59/28/1170785928.db2.gz CBVASHVFVHAENH-UHFFFAOYSA-N -1 3 322.328 0.209 20 30 DCEDHM C#CCC[C@@H](O)CNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001609019935 1170786665 /nfs/dbraw/zinc/78/66/65/1170786665.db2.gz LVMGHCARSPEOMR-CYBMUJFWSA-N -1 3 314.349 0.440 20 30 DCEDHM C#CCC[C@@H](O)CNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001609019935 1170786669 /nfs/dbraw/zinc/78/66/69/1170786669.db2.gz LVMGHCARSPEOMR-CYBMUJFWSA-N -1 3 314.349 0.440 20 30 DCEDHM C=C(C)[C@H](CO)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001609050791 1170793857 /nfs/dbraw/zinc/79/38/57/1170793857.db2.gz BYCZUYUJPSMORD-ZDUSSCGKSA-N -1 3 315.381 0.321 20 30 DCEDHM C[C@H](C#N)C(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001609067536 1170796866 /nfs/dbraw/zinc/79/68/66/1170796866.db2.gz UQWCGGYRTPHZDK-MRVPVSSYSA-N -1 3 309.293 0.546 20 30 DCEDHM C[C@H](C#N)C(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001609067536 1170796870 /nfs/dbraw/zinc/79/68/70/1170796870.db2.gz UQWCGGYRTPHZDK-MRVPVSSYSA-N -1 3 309.293 0.546 20 30 DCEDHM CC[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001609249053 1170895713 /nfs/dbraw/zinc/89/57/13/1170895713.db2.gz NSEBJFVOINHVJR-VIFPVBQESA-N -1 3 322.350 0.456 20 30 DCEDHM CC[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001609249053 1170895722 /nfs/dbraw/zinc/89/57/22/1170895722.db2.gz NSEBJFVOINHVJR-VIFPVBQESA-N -1 3 322.350 0.456 20 30 DCEDHM CN(C)c1ncc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001609270229 1170906030 /nfs/dbraw/zinc/90/60/30/1170906030.db2.gz IBWMGAUCSKIDJT-UHFFFAOYSA-N -1 3 323.364 0.846 20 30 DCEDHM CO[C@]1(CNc2c(C#N)cccc2-c2nnn[n-]2)CCOC1 ZINC001609311795 1170927719 /nfs/dbraw/zinc/92/77/19/1170927719.db2.gz FBQZXZNRAUWNGH-AWEZNQCLSA-N -1 3 300.322 0.956 20 30 DCEDHM CO[C@]1(CNc2c(C#N)cccc2-c2nn[n-]n2)CCOC1 ZINC001609311795 1170927722 /nfs/dbraw/zinc/92/77/22/1170927722.db2.gz FBQZXZNRAUWNGH-AWEZNQCLSA-N -1 3 300.322 0.956 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)COc1ccccc1 ZINC001609446455 1170981139 /nfs/dbraw/zinc/98/11/39/1170981139.db2.gz DPNOGEAHBXPBCC-UHFFFAOYSA-N -1 3 323.316 0.891 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)COc1ccccc1 ZINC001609446455 1170981143 /nfs/dbraw/zinc/98/11/43/1170981143.db2.gz DPNOGEAHBXPBCC-UHFFFAOYSA-N -1 3 323.316 0.891 20 30 DCEDHM Cn1c(CC#N)nnc1SCc1ccncc1-c1nnn[n-]1 ZINC001609476251 1170992168 /nfs/dbraw/zinc/99/21/68/1170992168.db2.gz QIHSMKQLOYQSPG-UHFFFAOYSA-N -1 3 313.350 0.749 20 30 DCEDHM Cn1c(CC#N)nnc1SCc1ccncc1-c1nn[n-]n1 ZINC001609476251 1170992172 /nfs/dbraw/zinc/99/21/72/1170992172.db2.gz QIHSMKQLOYQSPG-UHFFFAOYSA-N -1 3 313.350 0.749 20 30 DCEDHM N#CC1(C(=O)OCc2ccncc2-c2nnn[n-]2)CCOCC1 ZINC001609493356 1170997481 /nfs/dbraw/zinc/99/74/81/1170997481.db2.gz GWAJIIRJJALGEC-UHFFFAOYSA-N -1 3 314.305 0.625 20 30 DCEDHM N#CC1(C(=O)OCc2ccncc2-c2nn[n-]n2)CCOCC1 ZINC001609493356 1170997484 /nfs/dbraw/zinc/99/74/84/1170997484.db2.gz GWAJIIRJJALGEC-UHFFFAOYSA-N -1 3 314.305 0.625 20 30 DCEDHM N#CC[C@@]1(O)CCN(c2ccc(-c3nnn[n-]3)c([N+](=O)[O-])c2)C1 ZINC001609494878 1170997972 /nfs/dbraw/zinc/99/79/72/1170997972.db2.gz ORBJZKKKIPQVFM-CYBMUJFWSA-N -1 3 315.293 0.630 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001609500067 1170999220 /nfs/dbraw/zinc/99/92/20/1170999220.db2.gz XWGDCIAXNGCQFL-ONGXEEELSA-N -1 3 313.321 0.183 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC001609500067 1170999225 /nfs/dbraw/zinc/99/92/25/1170999225.db2.gz XWGDCIAXNGCQFL-ONGXEEELSA-N -1 3 313.321 0.183 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCN2C(=O)OC[C@@H]2C1 ZINC001609499659 1171000516 /nfs/dbraw/zinc/00/05/16/1171000516.db2.gz CQOLITKAOCSXAM-JTQLQIEISA-N -1 3 311.305 0.379 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCN2C(=O)OC[C@@H]2C1 ZINC001609499659 1171000524 /nfs/dbraw/zinc/00/05/24/1171000524.db2.gz CQOLITKAOCSXAM-JTQLQIEISA-N -1 3 311.305 0.379 20 30 DCEDHM C=C(C)CS(=O)(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001622562444 1171426590 /nfs/dbraw/zinc/42/65/90/1171426590.db2.gz JZGDSJNJAGUQJG-NSHDSACASA-N -1 3 312.395 0.565 20 30 DCEDHM Cc1nn(-c2cccnc2)nc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC001628548296 1171530551 /nfs/dbraw/zinc/53/05/51/1171530551.db2.gz UKTOYIIRDTYHPN-LLVKDONJSA-N -1 3 316.321 0.081 20 30 DCEDHM Cc1nn(-c2cccnc2)nc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC001628548297 1171530822 /nfs/dbraw/zinc/53/08/22/1171530822.db2.gz UKTOYIIRDTYHPN-NSHDSACASA-N -1 3 316.321 0.081 20 30 DCEDHM CCOC(=O)c1[nH]c(C)c(C(=O)N[C@H]2CCN([O-])C2=O)c1C ZINC001641378922 1171913243 /nfs/dbraw/zinc/91/32/43/1171913243.db2.gz JWCSKAOXEOCJKJ-VIFPVBQESA-N -1 3 309.322 0.528 20 30 DCEDHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)c2cc(C)on2)n1 ZINC001656635268 1173871390 /nfs/dbraw/zinc/87/13/90/1173871390.db2.gz PCXGKGHMNCJFHZ-UHFFFAOYSA-N -1 3 315.333 0.522 20 30 DCEDHM CC(C)[C@H]1C[C@H]1C(=O)NCc1nc(CNCC#N)cc(=O)[n-]1 ZINC001656646638 1173874062 /nfs/dbraw/zinc/87/40/62/1173874062.db2.gz FPYIGUHIFFDFNW-VXGBXAGGSA-N -1 3 303.366 0.704 20 30 DCEDHM C=C1CCC(C(=O)NCCCN(C)Cc2nc(=O)n(C)[n-]2)CC1 ZINC001660291029 1173972060 /nfs/dbraw/zinc/97/20/60/1173972060.db2.gz JZCFUHNUBPHSKH-UHFFFAOYSA-N -1 3 321.425 0.793 20 30 DCEDHM C=C[C@@](C)(CCOC)C(=O)N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001661456327 1174128016 /nfs/dbraw/zinc/12/80/16/1174128016.db2.gz WCJYSRTWDBYJSV-PGUXBMHVSA-N -1 3 323.397 0.476 20 30 DCEDHM COCC#CCN(C)CCNC(=O)c1cnc(C2CC2)[n-]c1=O ZINC001663292514 1174285527 /nfs/dbraw/zinc/28/55/27/1174285527.db2.gz YKSRFKWNJGXXCQ-UHFFFAOYSA-N -1 3 318.377 0.371 20 30 DCEDHM Cn1[n-]c(CNC2(CNC(=O)C#CC(C)(C)C)CCC2)nc1=O ZINC001673163938 1175176467 /nfs/dbraw/zinc/17/64/67/1175176467.db2.gz GQUMUTIKDUCNOR-UHFFFAOYSA-N -1 3 319.409 0.286 20 30 DCEDHM C#CCCCC(=O)N(C)C[C@@H](O)CNC(=O)c1ccccc1[O-] ZINC001680783717 1175854719 /nfs/dbraw/zinc/85/47/19/1175854719.db2.gz BCIBYDDARVNAQF-ZDUSSCGKSA-N -1 3 318.373 0.745 20 30 DCEDHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)c2cc[nH]c2C)n1 ZINC001689137336 1176702537 /nfs/dbraw/zinc/70/25/37/1176702537.db2.gz NNMBQENQBRDWDU-UHFFFAOYSA-N -1 3 313.361 0.862 20 30 DCEDHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCC2(F)F)n1 ZINC001691906862 1177381990 /nfs/dbraw/zinc/38/19/90/1177381990.db2.gz AUBXPRUFCKIZOF-NSHDSACASA-N -1 3 324.331 0.957 20 30 DCEDHM C=C[C@](C)(O)CC(=O)N1CC[C@](C)(CNCc2n[nH]c(=O)[n-]2)C1 ZINC001699837505 1178312945 /nfs/dbraw/zinc/31/29/45/1178312945.db2.gz WKSFWMZDGRVCEZ-CABCVRRESA-N -1 3 323.397 0.166 20 30 DCEDHM C#CCCCCCC(=O)N(C)C[C@@H](C)NC(=O)c1cn[n-]n1 ZINC001701643632 1179100011 /nfs/dbraw/zinc/10/00/11/1179100011.db2.gz MFYQRPASPVKBIX-GFCCVEGCSA-N -1 3 305.382 0.965 20 30 DCEDHM C#CCCCCCC(=O)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001703940410 1179725275 /nfs/dbraw/zinc/72/52/75/1179725275.db2.gz RIAFVETYSGCSRJ-TXEJJXNPSA-N -1 3 303.366 0.765 20 30 DCEDHM CCN(CCNC(=O)C#CC(C)C)C(=O)c1cnc[n-]c1=O ZINC001704271993 1179956486 /nfs/dbraw/zinc/95/64/86/1179956486.db2.gz ZBPPHHMDNIHIAL-UHFFFAOYSA-N -1 3 304.350 0.420 20 30 DCEDHM C#CCN(C(=O)c1c(C)nc[n-]c1=O)C1CCN(C(C)=O)CC1 ZINC001705365270 1180362698 /nfs/dbraw/zinc/36/26/98/1180362698.db2.gz VTMCZZGMFMDAMW-UHFFFAOYSA-N -1 3 316.361 0.577 20 30 DCEDHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)COC(C)C)n1 ZINC001707178395 1180427047 /nfs/dbraw/zinc/42/70/47/1180427047.db2.gz AVWBAPMXYHCKRU-UHFFFAOYSA-N -1 3 306.366 0.336 20 30 DCEDHM N#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[C@H](F)C2)n1 ZINC001707179704 1180428405 /nfs/dbraw/zinc/42/84/05/1180428405.db2.gz WMWFFXWEWIQPQK-ZJUUUORDSA-N -1 3 307.329 0.550 20 30 DCEDHM CC(C)(C)C#CC(=O)N1CCC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001713231494 1180730401 /nfs/dbraw/zinc/73/04/01/1180730401.db2.gz PQOCXLFHKXDHOY-LBPRGKRZSA-N -1 3 319.409 0.888 20 30 DCEDHM COCC#CCN1CC[C@@H](CNC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001714630288 1181449795 /nfs/dbraw/zinc/44/97/95/1181449795.db2.gz BXMVMHUJPORCIW-LBPRGKRZSA-N -1 3 306.366 0.125 20 30 DCEDHM C=CCNC(=O)[C@H](C)N1CC(NC(=O)c2ccccc2[O-])C1 ZINC001714927648 1181604456 /nfs/dbraw/zinc/60/44/56/1181604456.db2.gz CMRJYDUZKDWKPR-NSHDSACASA-N -1 3 303.362 0.497 20 30 DCEDHM C=CCCC(=O)NCC1(C)CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001716883509 1182557414 /nfs/dbraw/zinc/55/74/14/1182557414.db2.gz XAPPUORMHSYXOO-UHFFFAOYSA-N -1 3 321.425 0.793 20 30 DCEDHM Cc1nc(C)c(CC(=O)N[C@@H](CNCC#N)C(C)(C)C)c(=O)[n-]1 ZINC001717973181 1183092384 /nfs/dbraw/zinc/09/23/84/1183092384.db2.gz XVSSTXBXDQKWQZ-ZDUSSCGKSA-N -1 3 319.409 0.986 20 30 DCEDHM C#CCCCCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@@H]1C ZINC001718658038 1183312119 /nfs/dbraw/zinc/31/21/19/1183312119.db2.gz ZSRSWAVSRQOHEN-RYUDHWBXSA-N -1 3 303.366 0.718 20 30 DCEDHM C=C[C@@](C)(O)CC(=O)NC[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001721950251 1184121587 /nfs/dbraw/zinc/12/15/87/1184121587.db2.gz PUMSZVDXTGNNOF-BJOHPYRUSA-N -1 3 322.365 0.052 20 30 DCEDHM C=CCCCN1CC(CCO)(NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001725205757 1184724578 /nfs/dbraw/zinc/72/45/78/1184724578.db2.gz WZPMPPNUTPPLFL-UHFFFAOYSA-N -1 3 320.393 0.623 20 30 DCEDHM C=C(C)C[C@H](C)C(=O)N1CC(CCO)(NC(=O)c2cn[n-]n2)C1 ZINC001726038376 1185083186 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C=CC[C@H](CO)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588545241 1166560996 /nfs/dbraw/zinc/56/09/96/1166560996.db2.gz BMRRINQAKFZYRM-GFCCVEGCSA-N -1 3 302.338 0.332 20 30 DCEDHM C=CCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588626600 1166570264 /nfs/dbraw/zinc/57/02/64/1166570264.db2.gz MNJTYQLDWUZNCV-UHFFFAOYSA-N -1 3 309.351 0.682 20 30 DCEDHM C=CCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588626600 1166570266 /nfs/dbraw/zinc/57/02/66/1166570266.db2.gz MNJTYQLDWUZNCV-UHFFFAOYSA-N -1 3 309.351 0.682 20 30 DCEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588659514 1166577103 /nfs/dbraw/zinc/57/71/03/1166577103.db2.gz NTEVTJPPKAKRAP-SECBINFHSA-N -1 3 316.321 0.418 20 30 DCEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588659514 1166577105 /nfs/dbraw/zinc/57/71/05/1166577105.db2.gz NTEVTJPPKAKRAP-SECBINFHSA-N -1 3 316.321 0.418 20 30 DCEDHM C=CCOCCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588682868 1166578088 /nfs/dbraw/zinc/57/80/88/1166578088.db2.gz 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1166582710 /nfs/dbraw/zinc/58/27/10/1166582710.db2.gz KPEDCQSLYWHUBG-CABZTGNLSA-N -1 3 300.322 0.583 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001588725672 1166582718 /nfs/dbraw/zinc/58/27/18/1166582718.db2.gz KPEDCQSLYWHUBG-CABZTGNLSA-N -1 3 300.322 0.583 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588727754 1166583039 /nfs/dbraw/zinc/58/30/39/1166583039.db2.gz IAQFSWMOBJTNFZ-PWSUYJOCSA-N -1 3 300.322 0.643 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588727754 1166583046 /nfs/dbraw/zinc/58/30/46/1166583046.db2.gz IAQFSWMOBJTNFZ-PWSUYJOCSA-N -1 3 300.322 0.643 20 30 DCEDHM CC#CC(=O)N1CC[C@@H](N(C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588738845 1166584359 /nfs/dbraw/zinc/58/43/59/1166584359.db2.gz SQVLMBDJCXOJGJ-CQSZACIVSA-N -1 3 310.361 0.927 20 30 DCEDHM CC#CC(=O)N1CC[C@@H](N(C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588738845 1166584365 /nfs/dbraw/zinc/58/43/65/1166584365.db2.gz SQVLMBDJCXOJGJ-CQSZACIVSA-N -1 3 310.361 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/nfs/dbraw/zinc/21/54/41/943215441.db2.gz JPDCNSDXVSYEFG-VIKVFOODSA-N -1 3 321.340 0.918 20 30 DCEDHM N#Cc1cccnc1N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc[n-]c1=O ZINC001056329903 943285452 /nfs/dbraw/zinc/28/54/52/943285452.db2.gz FQODEYKOZAVLDO-ITGUQSILSA-N -1 3 322.328 0.313 20 30 DCEDHM COC(=O)C1(S(=O)(=O)[N-]Cc2ccc(C#N)cn2)CCC1 ZINC001364875699 946371195 /nfs/dbraw/zinc/37/11/95/946371195.db2.gz ZEHQDUXMATWQAR-UHFFFAOYSA-N -1 3 309.347 0.468 20 30 DCEDHM C=C(Cl)C[C@H]([N-]S(=O)(=O)c1nncn1C)C(=O)OCC ZINC001364902011 946431038 /nfs/dbraw/zinc/43/10/38/946431038.db2.gz WCBLPYSVUXWKRM-QMMMGPOBSA-N -1 3 322.774 0.168 20 30 DCEDHM C[C@H](C#N)C(=O)N(C)[C@@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001573559038 946947639 /nfs/dbraw/zinc/94/76/39/946947639.db2.gz VXKOPUKMYWMZPT-ZJUUUORDSA-N -1 3 314.353 0.680 20 30 DCEDHM C[C@H](C#N)C(=O)N(C)[C@@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001573559038 946947641 /nfs/dbraw/zinc/94/76/41/946947641.db2.gz VXKOPUKMYWMZPT-ZJUUUORDSA-N -1 3 314.353 0.680 20 30 DCEDHM N#Cc1cc(S(=O)(=O)Nc2c[nH]c(=O)[n-]c2=O)ccc1F ZINC001259412373 946956245 /nfs/dbraw/zinc/95/62/45/946956245.db2.gz FCSUICOIOONELN-UHFFFAOYSA-N -1 3 310.266 0.699 20 30 DCEDHM C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nnn[n-]2)nc1 ZINC001573570710 947090478 /nfs/dbraw/zinc/09/04/78/947090478.db2.gz SEECEMKBAAIKCN-DLOVCJGASA-N -1 3 324.348 0.211 20 30 DCEDHM C[C@@H](C#N)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001573570710 947090494 /nfs/dbraw/zinc/09/04/94/947090494.db2.gz SEECEMKBAAIKCN-DLOVCJGASA-N -1 3 324.348 0.211 20 30 DCEDHM C[C@H](C#N)C(=O)NCCN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573584417 947221074 /nfs/dbraw/zinc/22/10/74/947221074.db2.gz VMMXYGZVOXSJAM-SECBINFHSA-N -1 3 317.328 0.718 20 30 DCEDHM C[C@H](C#N)C(=O)NCCN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573584417 947221082 /nfs/dbraw/zinc/22/10/82/947221082.db2.gz VMMXYGZVOXSJAM-SECBINFHSA-N -1 3 317.328 0.718 20 30 DCEDHM C=CCn1cc(C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)nn1 ZINC001573347641 947573576 /nfs/dbraw/zinc/57/35/76/947573576.db2.gz FVQVRKPJJOGGTK-UHFFFAOYSA-N -1 3 324.348 0.916 20 30 DCEDHM C=CCn1cc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001573347641 947573580 /nfs/dbraw/zinc/57/35/80/947573580.db2.gz FVQVRKPJJOGGTK-UHFFFAOYSA-N -1 3 324.348 0.916 20 30 DCEDHM Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCN([O-])C1=O ZINC001262336626 947659296 /nfs/dbraw/zinc/65/92/96/947659296.db2.gz PFHBWDQGWBFSGO-ZDUSSCGKSA-N -1 3 319.365 0.453 20 30 DCEDHM C=CCN1CC(=O)N([C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1=O ZINC001262384877 947668288 /nfs/dbraw/zinc/66/82/88/947668288.db2.gz RGAARIUXUNXMFH-SNVBAGLBSA-N -1 3 303.322 0.211 20 30 DCEDHM C[C@H](C#N)C(=O)NCCC[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001487510916 947743381 /nfs/dbraw/zinc/74/33/81/947743381.db2.gz LQNRBGLPDDDWHI-ZJUUUORDSA-N -1 3 305.338 0.357 20 30 DCEDHM C#CCN(C)CCCN(C)C(=O)c1c[n-]n2c1nccc2=O ZINC001273565197 947960251 /nfs/dbraw/zinc/96/02/51/947960251.db2.gz ASTPNLBNYCODFM-UHFFFAOYSA-N -1 3 301.350 0.050 20 30 DCEDHM N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cc(-c3nnn[n-]3)c[nH]1)C2 ZINC001570921679 948625472 /nfs/dbraw/zinc/62/54/72/948625472.db2.gz KSFYGZCEQDYSFZ-CYBMUJFWSA-N -1 3 319.328 0.964 20 30 DCEDHM N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cc(-c3nn[n-]n3)c[nH]1)C2 ZINC001570921679 948625475 /nfs/dbraw/zinc/62/54/75/948625475.db2.gz KSFYGZCEQDYSFZ-CYBMUJFWSA-N -1 3 319.328 0.964 20 30 DCEDHM C=C[C@](C)(O)CC(=O)N[C@@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001263913577 948805488 /nfs/dbraw/zinc/80/54/88/948805488.db2.gz XRDQZARCOFVDDV-ABAIWWIYSA-N -1 3 306.366 0.513 20 30 DCEDHM C#CCNCc1cc(=O)[n-]c(CNC(=O)CO[C@H](C)CC)n1 ZINC001264025663 948839477 /nfs/dbraw/zinc/83/94/77/948839477.db2.gz RVAMIVZIHTUQBJ-LLVKDONJSA-N -1 3 306.366 0.336 20 30 DCEDHM CC(C)(C#N)CS(=O)(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001573762722 948860796 /nfs/dbraw/zinc/86/07/96/948860796.db2.gz ZNZOXJLSFFLJRT-UHFFFAOYSA-N -1 3 321.366 0.231 20 30 DCEDHM CC(C)(C#N)CS(=O)(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001573762722 948860813 /nfs/dbraw/zinc/86/08/13/948860813.db2.gz ZNZOXJLSFFLJRT-UHFFFAOYSA-N -1 3 321.366 0.231 20 30 DCEDHM C#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@H](OCC)C(C)C)n1 ZINC001264581749 949011293 /nfs/dbraw/zinc/01/12/93/949011293.db2.gz NCNVIKSZLBKYJI-HNNXBMFYSA-N -1 3 320.393 0.582 20 30 DCEDHM Cn1c(=O)cc(C(=O)N[C@H]2CCCN([O-])C2=O)c2ccccc21 ZINC001329069241 949329458 /nfs/dbraw/zinc/32/94/58/949329458.db2.gz DABHASQWSJJQDT-LBPRGKRZSA-N -1 3 315.329 0.649 20 30 DCEDHM C#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC001489075511 949461005 /nfs/dbraw/zinc/46/10/05/949461005.db2.gz AYTMAVPIXHCQKO-BNOWGMLFSA-N -1 3 314.389 0.957 20 30 DCEDHM C#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[C@@H](CC)O2)n1 ZINC001489076452 949466964 /nfs/dbraw/zinc/46/69/64/949466964.db2.gz LQUQHZQXTQUZQH-OLZOCXBDSA-N -1 3 318.377 0.479 20 30 DCEDHM CC(C)C[C@H](CNCC#N)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001574150635 950036747 /nfs/dbraw/zinc/03/67/47/950036747.db2.gz CURYZDMEGFREOZ-LLVKDONJSA-N -1 3 316.369 0.452 20 30 DCEDHM CC(C)C[C@H](CNCC#N)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001574150635 950036765 /nfs/dbraw/zinc/03/67/65/950036765.db2.gz CURYZDMEGFREOZ-LLVKDONJSA-N -1 3 316.369 0.452 20 30 DCEDHM CC(C)CC(=O)NCc1nc(CNC(=O)[C@H](C)C#N)cc(=O)[n-]1 ZINC001489972869 950209429 /nfs/dbraw/zinc/20/94/29/950209429.db2.gz BIGVYDJTVWASRD-SNVBAGLBSA-N -1 3 319.365 0.620 20 30 DCEDHM C=CCCOCC(=O)N[C@H]1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001266078076 950336674 /nfs/dbraw/zinc/33/66/74/950336674.db2.gz BLFPQPIMVZCFCW-NEPJUHHUSA-N -1 3 323.397 0.620 20 30 DCEDHM N#CCCN(CC1CC1)C(=O)Nc1n[n-]nc1C(=O)NC1CC1 ZINC001365090137 950499003 /nfs/dbraw/zinc/49/90/03/950499003.db2.gz PELREYQKPFJKIH-UHFFFAOYSA-N -1 3 317.353 0.854 20 30 DCEDHM C[C@H]1C[C@@H](NCc2nc(=O)n(C)[n-]2)CN1C(=O)C#CC(C)(C)C ZINC001331990248 951425324 /nfs/dbraw/zinc/42/53/24/951425324.db2.gz IJIQCQNWPHIPOU-NWDGAFQWSA-N -1 3 319.409 0.237 20 30 DCEDHM C#CC1(O)CCN(C(=O)CCc2c(C)nc(C)[n-]c2=O)CC1 ZINC001333072981 951906186 /nfs/dbraw/zinc/90/61/86/951906186.db2.gz IXTUKDJLCCSDFY-UHFFFAOYSA-N -1 3 303.362 0.718 20 30 DCEDHM C#CCC1(C(=O)NCC2CC(NC(=O)c3cn[n-]n3)C2)CCC1 ZINC001333724265 952141764 /nfs/dbraw/zinc/14/17/64/952141764.db2.gz AVRRFEOMZFUWHE-UHFFFAOYSA-N -1 3 315.377 0.623 20 30 DCEDHM C#CCN(C)CCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C(=O)[O-] ZINC001334181145 952254772 /nfs/dbraw/zinc/25/47/72/952254772.db2.gz BJCXJXZXOMHWIA-CHWSQXEVSA-N -1 3 311.382 0.215 20 30 DCEDHM C=CC[C@@H](NC(=O)NC[C@H](C)CN1CCN(C)CC1)C(=O)[O-] ZINC001334961980 952424475 /nfs/dbraw/zinc/42/44/75/952424475.db2.gz GTBWUQOYZWNFQP-QWHCGFSZSA-N -1 3 312.414 0.198 20 30 DCEDHM Cc1ncc(Br)c(C(=O)N[C@@H]2CCN([O-])C2=O)n1 ZINC001335289347 952512728 /nfs/dbraw/zinc/51/27/28/952512728.db2.gz VLPBZRPMDUADOV-SSDOTTSWSA-N -1 3 315.127 0.267 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@H]1CCCCN1Cc1ccncc1 ZINC001336512470 952713729 /nfs/dbraw/zinc/71/37/29/952713729.db2.gz HINYHQLFOCIYAE-ZIAGYGMSSA-N -1 3 318.377 0.542 20 30 DCEDHM C=C(C)[C@@H](CC(=O)N(C)C[C@H](C)NC(=O)c1cn[n-]n1)OCC ZINC001337224901 952829777 /nfs/dbraw/zinc/82/97/77/952829777.db2.gz JBEBVZRHPBJISO-WCQYABFASA-N -1 3 323.397 0.753 20 30 DCEDHM Cc1cc(=O)[n-]c(N2CC[C@H](NC(=O)c3cccc(C#N)n3)C2)n1 ZINC001412606181 952933327 /nfs/dbraw/zinc/93/33/27/952933327.db2.gz MFQQPACGYGJTEA-LBPRGKRZSA-N -1 3 324.344 0.766 20 30 DCEDHM C=CC[C@@H]1CCCN(c2nnc(CCc3nnn[n-]3)n2C)C1 ZINC001338611780 953036010 /nfs/dbraw/zinc/03/60/10/953036010.db2.gz CMDNMAHVGQTFRK-LLVKDONJSA-N -1 3 302.386 0.906 20 30 DCEDHM C=CC[C@@H]1CCCN(c2nnc(CCc3nn[n-]n3)n2C)C1 ZINC001338611780 953036016 /nfs/dbraw/zinc/03/60/16/953036016.db2.gz CMDNMAHVGQTFRK-LLVKDONJSA-N -1 3 302.386 0.906 20 30 DCEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N(C)CC(F)(F)F ZINC001339497473 953098521 /nfs/dbraw/zinc/09/85/21/953098521.db2.gz CZLCDUUVXJIWLC-UHFFFAOYSA-N -1 3 316.291 0.761 20 30 DCEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N(C)CC(F)(F)F ZINC001339497473 953098526 /nfs/dbraw/zinc/09/85/26/953098526.db2.gz CZLCDUUVXJIWLC-UHFFFAOYSA-N -1 3 316.291 0.761 20 30 DCEDHM C#CCCCC(=O)NC[C@@H](C)N(CC)C(=O)c1cnc[n-]c1=O ZINC001340072660 953142490 /nfs/dbraw/zinc/14/24/90/953142490.db2.gz RHJCELBULXBTFC-GFCCVEGCSA-N -1 3 318.377 0.953 20 30 DCEDHM C=CCn1c(-c2cnc[n-]c2=O)nnc1N1CCCOCC1 ZINC001340459460 953171148 /nfs/dbraw/zinc/17/11/48/953171148.db2.gz NYKJZFILYGAYNL-UHFFFAOYSA-N -1 3 302.338 0.853 20 30 DCEDHM C#CCN(CC#CC)c1nnc(-c2c[n-]oc2=O)n1CCOC ZINC001341951346 953260676 /nfs/dbraw/zinc/26/06/76/953260676.db2.gz QEGWWWCNELGWLS-UHFFFAOYSA-N -1 3 315.333 0.748 20 30 DCEDHM C#CCCCCC(=O)NCc1cc(=O)[n-]c(CNC(C)=O)n1 ZINC001344650387 953510217 /nfs/dbraw/zinc/51/02/17/953510217.db2.gz UMUFRVIFVXJWHN-UHFFFAOYSA-N -1 3 304.350 0.628 20 30 DCEDHM CC#CCCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn[n-]n1)C2 ZINC001282655555 953641998 /nfs/dbraw/zinc/64/19/98/953641998.db2.gz PZBBMFMMUAPFDI-DYEKYZERSA-N -1 3 315.377 0.860 20 30 DCEDHM C#CCN(C)c1nnc(-c2nnc(Cl)[n-]2)n1C[C@H]1CCOC1 ZINC001346918705 953981564 /nfs/dbraw/zinc/98/15/64/953981564.db2.gz XBXWANGVSXVEQT-SECBINFHSA-N -1 3 321.772 0.823 20 30 DCEDHM C#CCN(C)c1nnc(-c2n[n-]c(Cl)n2)n1C[C@H]1CCOC1 ZINC001346918705 953981579 /nfs/dbraw/zinc/98/15/79/953981579.db2.gz XBXWANGVSXVEQT-SECBINFHSA-N -1 3 321.772 0.823 20 30 DCEDHM C=CCC1(O)CN(C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1 ZINC001347378349 954080503 /nfs/dbraw/zinc/08/05/03/954080503.db2.gz IODLSFGESWGFNJ-UHFFFAOYSA-N -1 3 318.373 0.970 20 30 DCEDHM C=C[C@](C)(O)CC(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001347672556 954145229 /nfs/dbraw/zinc/14/52/29/954145229.db2.gz RDHQNXINXZIQMQ-WBMJQRKESA-N -1 3 320.393 0.903 20 30 DCEDHM C=CCO[C@H](C)C(=O)N1CC(NC(=O)c2c(C)nc[n-]c2=O)C1 ZINC001284933758 955328761 /nfs/dbraw/zinc/32/87/61/955328761.db2.gz DBHSXBZYUGKYNX-SNVBAGLBSA-N -1 3 320.349 0.022 20 30 DCEDHM C=CC(C)(C)C(=O)NCCCN(C)C(=O)c1cnc[n-]c1=O ZINC001351804971 955416716 /nfs/dbraw/zinc/41/67/16/955416716.db2.gz TVTOCACRPZFDNO-UHFFFAOYSA-N -1 3 306.366 0.973 20 30 DCEDHM CC(C)C#CC(=O)N[C@@H](C)CNC(=O)c1cccc2n[n-]nc21 ZINC001285725146 955938883 /nfs/dbraw/zinc/93/88/83/955938883.db2.gz DNSLIDCCBIZLFX-NSHDSACASA-N -1 3 313.361 0.852 20 30 DCEDHM C=CCC[C@H]([N-]S(=O)(=O)C[C@H](C)C(=O)OC)C(=O)OCC ZINC001463730451 1013159074 /nfs/dbraw/zinc/15/90/74/1013159074.db2.gz PVPVSTPBKHFRML-QWRGUYRKSA-N -1 3 321.395 0.613 20 30 DCEDHM C#Cc1ccc(S(=O)(=O)NC2CCN(CC(=O)[O-])CC2)cc1 ZINC001588439677 958321243 /nfs/dbraw/zinc/32/12/43/958321243.db2.gz ZESMEAUHHABFIJ-UHFFFAOYSA-N -1 3 322.386 0.495 20 30 DCEDHM C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588465412 958503272 /nfs/dbraw/zinc/50/32/72/958503272.db2.gz ITZUXWJBZUMUGN-RYUDHWBXSA-N -1 3 311.382 0.964 20 30 DCEDHM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@@H]1CCN([O-])C1=O ZINC001298427714 958595946 /nfs/dbraw/zinc/59/59/46/958595946.db2.gz XFABJSUTBWGGMC-LPEHRKFASA-N -1 3 315.370 0.642 20 30 DCEDHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)[C@@H](F)C(C)C)n1 ZINC001316716895 960326686 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1166541290 /nfs/dbraw/zinc/54/12/90/1166541290.db2.gz NXKAIBHWIALJGQ-UHFFFAOYSA-N -1 3 319.321 0.263 20 30 DCEDHM C#CCSCC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588363300 1166545962 /nfs/dbraw/zinc/54/59/62/1166545962.db2.gz XHHZNSRELRBZTL-ZDUSSCGKSA-N -1 3 313.386 0.817 20 30 DCEDHM C#CCSCC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588363300 1166545967 /nfs/dbraw/zinc/54/59/67/1166545967.db2.gz XHHZNSRELRBZTL-ZDUSSCGKSA-N -1 3 313.386 0.817 20 30 DCEDHM C#CCOC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588359075 1166547155 /nfs/dbraw/zinc/54/71/55/1166547155.db2.gz YFIYPCOORMHQNS-LLVKDONJSA-N -1 3 311.301 0.396 20 30 DCEDHM C#CCOC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588359075 1166547162 /nfs/dbraw/zinc/54/71/62/1166547162.db2.gz YFIYPCOORMHQNS-LLVKDONJSA-N -1 3 311.301 0.396 20 30 DCEDHM C#CCOCCNC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588363501 1166548211 /nfs/dbraw/zinc/54/82/11/1166548211.db2.gz JSNYXXPRWBEHMV-UHFFFAOYSA-N -1 3 301.310 0.341 20 30 DCEDHM C#CCOCCNC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588363501 1166548218 /nfs/dbraw/zinc/54/82/18/1166548218.db2.gz JSNYXXPRWBEHMV-UHFFFAOYSA-N -1 3 301.310 0.341 20 30 DCEDHM C=C(C)CS(=O)(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001588429149 1166554078 /nfs/dbraw/zinc/55/40/78/1166554078.db2.gz FIYYLIYTLSDZSZ-UHFFFAOYSA-N -1 3 307.379 0.905 20 30 DCEDHM C=C(C)CS(=O)(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001588429149 1166554083 /nfs/dbraw/zinc/55/40/83/1166554083.db2.gz FIYYLIYTLSDZSZ-UHFFFAOYSA-N -1 3 307.379 0.905 20 30 DCEDHM C=CCOCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001588681426 1166578014 /nfs/dbraw/zinc/57/80/14/1166578014.db2.gz BVQFSAWFTCLJJZ-UHFFFAOYSA-N -1 3 324.366 0.133 20 30 DCEDHM C=CCOCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001588681426 1166578017 /nfs/dbraw/zinc/57/80/17/1166578017.db2.gz BVQFSAWFTCLJJZ-UHFFFAOYSA-N -1 3 324.366 0.133 20 30 DCEDHM C=CCOCC(=O)N1CCc2c(sc(N)c2-c2nnn[n-]2)C1 ZINC001588671268 1166579085 /nfs/dbraw/zinc/57/90/85/1166579085.db2.gz FITDOXMZMGMPND-UHFFFAOYSA-N -1 3 320.378 0.598 20 30 DCEDHM C=CCOCC(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001588671268 1166579089 /nfs/dbraw/zinc/57/90/89/1166579089.db2.gz FITDOXMZMGMPND-UHFFFAOYSA-N -1 3 320.378 0.598 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588728548 1166582884 /nfs/dbraw/zinc/58/28/84/1166582884.db2.gz SAAVBJWCQAJSHQ-PWSUYJOCSA-N -1 3 300.322 0.643 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588728548 1166582889 /nfs/dbraw/zinc/58/28/89/1166582889.db2.gz SAAVBJWCQAJSHQ-PWSUYJOCSA-N -1 3 300.322 0.643 20 30 DCEDHM C[C@H](C#N)CN(C)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588930764 1166619104 /nfs/dbraw/zinc/61/91/04/1166619104.db2.gz KLGFRFDYUXGJQH-YPMHNXCESA-N -1 3 316.365 0.698 20 30 DCEDHM CC(C)C#CC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001589389936 1166653460 /nfs/dbraw/zinc/65/34/60/1166653460.db2.gz SOZVPFMZKADPRW-UHFFFAOYSA-N -1 3 313.365 0.474 20 30 DCEDHM CC(C)C#CC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001589389936 1166653465 /nfs/dbraw/zinc/65/34/65/1166653465.db2.gz SOZVPFMZKADPRW-UHFFFAOYSA-N -1 3 313.365 0.474 20 30 DCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589786851 1166688608 /nfs/dbraw/zinc/68/86/08/1166688608.db2.gz GDIGKYFGFOGVBF-QMMMGPOBSA-N -1 3 324.341 0.928 20 30 DCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589786851 1166688611 /nfs/dbraw/zinc/68/86/11/1166688611.db2.gz GDIGKYFGFOGVBF-QMMMGPOBSA-N -1 3 324.341 0.928 20 30 DCEDHM C[C@H](C[C@H](C)NCC#N)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001589797748 1166691256 /nfs/dbraw/zinc/69/12/56/1166691256.db2.gz GLMDSLIRLFXKJL-DTWKUNHWSA-N -1 3 302.342 0.205 20 30 DCEDHM C[C@H](C[C@H](C)NCC#N)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001589797748 1166691261 /nfs/dbraw/zinc/69/12/61/1166691261.db2.gz GLMDSLIRLFXKJL-DTWKUNHWSA-N -1 3 302.342 0.205 20 30 DCEDHM C[C@H](CNc1c(C#N)cccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001589875361 1166702744 /nfs/dbraw/zinc/70/27/44/1166702744.db2.gz DJSJYEQOZDXQSK-MRVPVSSYSA-N -1 3 306.351 0.583 20 30 DCEDHM C[C@H](CNc1c(C#N)cccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001589875361 1166702751 /nfs/dbraw/zinc/70/27/51/1166702751.db2.gz DJSJYEQOZDXQSK-MRVPVSSYSA-N -1 3 306.351 0.583 20 30 DCEDHM C[C@@]1(C#N)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001590056193 1166761083 /nfs/dbraw/zinc/76/10/83/1166761083.db2.gz AWQHZGRWAHJSOV-CYBMUJFWSA-N -1 3 315.293 0.894 20 30 DCEDHM C[C@@]1(C#N)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001590056193 1166761089 /nfs/dbraw/zinc/76/10/89/1166761089.db2.gz AWQHZGRWAHJSOV-CYBMUJFWSA-N -1 3 315.293 0.894 20 30 DCEDHM CC1(O)CN(C(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590150038 1166790251 /nfs/dbraw/zinc/79/02/51/1166790251.db2.gz KIIMNVVTZZRBPC-LBPRGKRZSA-N -1 3 312.333 0.142 20 30 DCEDHM CCOC(=O)C(C)(C)Cn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001590749589 1167003838 /nfs/dbraw/zinc/00/38/38/1167003838.db2.gz HWHJOYZKWYIGAU-UHFFFAOYSA-N -1 3 304.314 0.106 20 30 DCEDHM CCOC(=O)C(C)(C)Cn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001590749589 1167003841 /nfs/dbraw/zinc/00/38/41/1167003841.db2.gz HWHJOYZKWYIGAU-UHFFFAOYSA-N -1 3 304.314 0.106 20 30 DCEDHM CCOC(=O)c1cnn(CC2(C#N)CCC2)c1-c1nnn[n-]1 ZINC001590776069 1167015626 /nfs/dbraw/zinc/01/56/26/1167015626.db2.gz CSHNOQPYTVPLJW-UHFFFAOYSA-N -1 3 301.310 0.934 20 30 DCEDHM CN1CCC(C#N)(NC(=O)c2coc(-c3nnn[n-]3)c2)CC1 ZINC001591171239 1167125902 /nfs/dbraw/zinc/12/59/02/1167125902.db2.gz PKYFUPRTZJVICM-UHFFFAOYSA-N -1 3 301.310 0.177 20 30 DCEDHM CN1CCC(C#N)(NC(=O)c2coc(-c3nn[n-]n3)c2)CC1 ZINC001591171239 1167125908 /nfs/dbraw/zinc/12/59/08/1167125908.db2.gz PKYFUPRTZJVICM-UHFFFAOYSA-N -1 3 301.310 0.177 20 30 DCEDHM COC(=O)c1cccc(Cn2cc(C#N)nn2)c1-c1nnn[n-]1 ZINC001591302665 1167207400 /nfs/dbraw/zinc/20/74/00/1167207400.db2.gz VALRJALMQGXVMZ-UHFFFAOYSA-N -1 3 310.277 0.165 20 30 DCEDHM COC(=O)c1cccc(Cn2cc(C#N)nn2)c1-c1nn[n-]n1 ZINC001591302665 1167207406 /nfs/dbraw/zinc/20/74/06/1167207406.db2.gz VALRJALMQGXVMZ-UHFFFAOYSA-N -1 3 310.277 0.165 20 30 DCEDHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ncn1 ZINC001591516628 1167319862 /nfs/dbraw/zinc/31/98/62/1167319862.db2.gz GTUOOOOAJDIXKB-UHFFFAOYSA-N -1 3 322.288 0.789 20 30 DCEDHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ncn1 ZINC001591516628 1167319867 /nfs/dbraw/zinc/31/98/67/1167319867.db2.gz GTUOOOOAJDIXKB-UHFFFAOYSA-N -1 3 322.288 0.789 20 30 DCEDHM C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001591742595 1167362875 /nfs/dbraw/zinc/36/28/75/1167362875.db2.gz HKBGSYNKGBZCOK-NXEZZACHSA-N -1 3 314.353 0.016 20 30 DCEDHM C[C@@H]1CN(CC#N)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591742595 1167362881 /nfs/dbraw/zinc/36/28/81/1167362881.db2.gz HKBGSYNKGBZCOK-NXEZZACHSA-N -1 3 314.353 0.016 20 30 DCEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)N1CCO[C@](C)(C#N)C1 ZINC001591781599 1167377051 /nfs/dbraw/zinc/37/70/51/1167377051.db2.gz JTGMSFRTWWHECA-CYBMUJFWSA-N -1 3 301.310 0.258 20 30 DCEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)N1CCO[C@](C)(C#N)C1 ZINC001591781599 1167377055 /nfs/dbraw/zinc/37/70/55/1167377055.db2.gz JTGMSFRTWWHECA-CYBMUJFWSA-N -1 3 301.310 0.258 20 30 DCEDHM Cc1c(NC(=O)C(=O)N[C@@H](C)CC#N)cccc1-c1nnn[n-]1 ZINC001591824352 1167387833 /nfs/dbraw/zinc/38/78/33/1167387833.db2.gz TXQIHTOCIIEFNX-QMMMGPOBSA-N -1 3 313.321 0.532 20 30 DCEDHM Cc1c(NC(=O)C(=O)N[C@@H](C)CC#N)cccc1-c1nn[n-]n1 ZINC001591824352 1167387836 /nfs/dbraw/zinc/38/78/36/1167387836.db2.gz TXQIHTOCIIEFNX-QMMMGPOBSA-N -1 3 313.321 0.532 20 30 DCEDHM N#C[C@@]1(C(=O)OCc2ccncc2-c2nnn[n-]2)CCCOC1 ZINC001592666733 1167592885 /nfs/dbraw/zinc/59/28/85/1167592885.db2.gz KEYWWKPLHSZAPO-AWEZNQCLSA-N -1 3 314.305 0.625 20 30 DCEDHM N#C[C@@]1(C(=O)OCc2ccncc2-c2nn[n-]n2)CCCOC1 ZINC001592666733 1167592893 /nfs/dbraw/zinc/59/28/93/1167592893.db2.gz KEYWWKPLHSZAPO-AWEZNQCLSA-N -1 3 314.305 0.625 20 30 DCEDHM N#C[C@H]1CN(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])CCO1 ZINC001592671480 1167593793 /nfs/dbraw/zinc/59/37/93/1167593793.db2.gz HQZWMIPYXPYHPF-VIFPVBQESA-N -1 3 315.293 0.499 20 30 DCEDHM N#C[C@H]1CN(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])CCO1 ZINC001592671480 1167593797 /nfs/dbraw/zinc/59/37/97/1167593797.db2.gz HQZWMIPYXPYHPF-VIFPVBQESA-N -1 3 315.293 0.499 20 30 DCEDHM N#C[C@@]1(F)CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592670462 1167594970 /nfs/dbraw/zinc/59/49/70/1167594970.db2.gz BMTYPXVLIVRCLK-LBPRGKRZSA-N -1 3 322.325 0.493 20 30 DCEDHM N#C[C@@]1(F)CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592670462 1167594976 /nfs/dbraw/zinc/59/49/76/1167594976.db2.gz BMTYPXVLIVRCLK-LBPRGKRZSA-N -1 3 322.325 0.493 20 30 DCEDHM N#CCSCC(=O)NCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001592679173 1167598878 /nfs/dbraw/zinc/59/88/78/1167598878.db2.gz HZQXPTBWQPLNKW-UHFFFAOYSA-N -1 3 318.366 0.047 20 30 DCEDHM N#CCSCC(=O)NCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001592679173 1167598882 /nfs/dbraw/zinc/59/88/82/1167598882.db2.gz HZQXPTBWQPLNKW-UHFFFAOYSA-N -1 3 318.366 0.047 20 30 DCEDHM N#CCNCC[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001592678605 1167599038 /nfs/dbraw/zinc/59/90/38/1167599038.db2.gz DOZHVICTLLHLBJ-JTQLQIEISA-N -1 3 314.353 0.160 20 30 DCEDHM N#CCNCC[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001592678605 1167599043 /nfs/dbraw/zinc/59/90/43/1167599043.db2.gz DOZHVICTLLHLBJ-JTQLQIEISA-N -1 3 314.353 0.160 20 30 DCEDHM N#Cc1cccnc1NCCNc1ncncc1-c1nnn[n-]1 ZINC001592703015 1167604810 /nfs/dbraw/zinc/60/48/10/1167604810.db2.gz PBHAKTUWGGMAMX-UHFFFAOYSA-N -1 3 308.309 0.447 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCCCN1CCOCC1 ZINC001592699813 1167605076 /nfs/dbraw/zinc/60/50/76/1167605076.db2.gz NRXXTFDJXCCBBE-UHFFFAOYSA-N -1 3 313.365 0.873 20 30 DCEDHM N#Cc1nc(N)n(C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1-c1nnn[n-]1 ZINC001592706516 1167606727 /nfs/dbraw/zinc/60/67/27/1167606727.db2.gz VAXQIODXGFYTNX-OYNCUSHFSA-N -1 3 300.326 0.475 20 30 DCEDHM N#Cc1nc(N)n(C[C@@H]2C[C@@H]3CCC[C@H]3O2)c1-c1nn[n-]n1 ZINC001592706516 1167606732 /nfs/dbraw/zinc/60/67/32/1167606732.db2.gz VAXQIODXGFYTNX-OYNCUSHFSA-N -1 3 300.326 0.475 20 30 DCEDHM N#Cc1ncn(CCC(=O)Nc2cccnc2)c1-c1nnn[n-]1 ZINC001592709527 1167609332 /nfs/dbraw/zinc/60/93/32/1167609332.db2.gz IHIRKOSYTGBELZ-UHFFFAOYSA-N -1 3 309.293 0.359 20 30 DCEDHM O=C(CON=C[C@H]1CCCO1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001592887159 1167657778 /nfs/dbraw/zinc/65/77/78/1167657778.db2.gz WKRKRDJJPIFKGG-GFCCVEGCSA-N -1 3 316.321 0.987 20 30 DCEDHM O=C(CON=C[C@H]1CCCO1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001592887159 1167657779 /nfs/dbraw/zinc/65/77/79/1167657779.db2.gz WKRKRDJJPIFKGG-GFCCVEGCSA-N -1 3 316.321 0.987 20 30 DCEDHM O=C1CCC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)CCN1 ZINC001593388733 1167800385 /nfs/dbraw/zinc/80/03/85/1167800385.db2.gz OVISWRQVTHFXIE-UHFFFAOYSA-N -1 3 320.744 0.983 20 30 DCEDHM O=C1CCC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)CCN1 ZINC001593388733 1167800398 /nfs/dbraw/zinc/80/03/98/1167800398.db2.gz OVISWRQVTHFXIE-UHFFFAOYSA-N -1 3 320.744 0.983 20 30 DCEDHM O=C1Nc2cc(-c3nnn[n-]3)ccc2C1=NOC1CCOCC1 ZINC001593410761 1167819688 /nfs/dbraw/zinc/81/96/88/1167819688.db2.gz FYVFLGHHVYLXHE-UHFFFAOYSA-N -1 3 314.305 0.719 20 30 DCEDHM O=C1Nc2cc(-c3nn[n-]n3)ccc2C1=NOC1CCOCC1 ZINC001593410761 1167819699 /nfs/dbraw/zinc/81/96/99/1167819699.db2.gz FYVFLGHHVYLXHE-UHFFFAOYSA-N -1 3 314.305 0.719 20 30 DCEDHM O=S1(=O)CCC[C@@H](NN=Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001593463379 1167853801 /nfs/dbraw/zinc/85/38/01/1167853801.db2.gz PECKEECOIYQSME-GFCCVEGCSA-N -1 3 320.378 0.367 20 30 DCEDHM O=S1(=O)CCC[C@@H](NN=Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001593463379 1167853808 /nfs/dbraw/zinc/85/38/08/1167853808.db2.gz PECKEECOIYQSME-GFCCVEGCSA-N -1 3 320.378 0.367 20 30 DCEDHM N#Cc1ccc(CC(=O)NCCNC(=O)c2ccc([O-])cc2)cn1 ZINC001595752505 1167977069 /nfs/dbraw/zinc/97/70/69/1167977069.db2.gz RCNJXQIMMYHBHG-UHFFFAOYSA-N -1 3 324.340 0.748 20 30 DCEDHM N#Cc1cnn2cc(CN[C@@]3(CC(=O)[O-])CCCOC3)cnc12 ZINC001601131335 1168590674 /nfs/dbraw/zinc/59/06/74/1168590674.db2.gz WJWCKYFGTLNHDN-OAHLLOKOSA-N -1 3 315.333 0.714 20 30 DCEDHM C#C[C@@H](CO)NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001602689876 1169159836 /nfs/dbraw/zinc/15/98/36/1169159836.db2.gz WFDGMQYLCIXRMT-QMMMGPOBSA-N -1 3 304.285 0.430 20 30 DCEDHM C#C[C@@H](CO)NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001602689876 1169159839 /nfs/dbraw/zinc/15/98/39/1169159839.db2.gz WFDGMQYLCIXRMT-QMMMGPOBSA-N -1 3 304.285 0.430 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001602697536 1169164189 /nfs/dbraw/zinc/16/41/89/1169164189.db2.gz OGZNMQUBFUYJCH-VIFPVBQESA-N -1 3 304.285 0.512 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001602697536 1169164191 /nfs/dbraw/zinc/16/41/91/1169164191.db2.gz OGZNMQUBFUYJCH-VIFPVBQESA-N -1 3 304.285 0.512 20 30 DCEDHM C#CCCN1CCN(C(=O)c2ccc(C)c(-c3nn[n-]n3)c2)CC1 ZINC001602712741 1169167552 /nfs/dbraw/zinc/16/75/52/1169167552.db2.gz RQPLSXGZLAJKNL-UHFFFAOYSA-N -1 3 324.388 0.956 20 30 DCEDHM C#CCN(C1CC1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC001602720610 1169170941 /nfs/dbraw/zinc/17/09/41/1169170941.db2.gz YYIYKIHGSJPPIA-UHFFFAOYSA-N -1 3 321.337 0.792 20 30 DCEDHM C#CCN1CCC[C@H]1C(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 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0.063 20 30 DCEDHM CC(C)CC(=O)NCc1cc(=O)[n-]c(CNC(=O)[C@@H](C)C#N)n1 ZINC001519548925 1017214439 /nfs/dbraw/zinc/21/44/39/1017214439.db2.gz JSUDLIYQTCLGAT-JTQLQIEISA-N -1 3 319.365 0.620 20 30 DCEDHM C#CCN(C)c1nnc(-c2c[n-]oc2=O)n1C[C@@H]1CCOC1 ZINC001519591356 1017218032 /nfs/dbraw/zinc/21/80/32/1017218032.db2.gz FZLLYUOWBLZDCJ-JTQLQIEISA-N -1 3 303.322 0.745 20 30 DCEDHM C[C@H](C#N)CN(C)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001479506527 1017569878 /nfs/dbraw/zinc/56/98/78/1017569878.db2.gz FAVPNNVMTHJRMR-GHMZBOCLSA-N -1 3 304.354 0.562 20 30 DCEDHM C=CCC(CC=C)C(=O)N1CC(NC(=O)c2cnc[n-]c2=O)C1 ZINC001498257703 1018848867 /nfs/dbraw/zinc/84/88/67/1018848867.db2.gz WSQATHBGJJCFNN-UHFFFAOYSA-N -1 3 316.361 0.891 20 30 DCEDHM Cc1nc(C)c(CC(=O)NC[C@@H]2CCN(CC#N)C2)c(=O)[n-]1 ZINC001493258829 1019263044 /nfs/dbraw/zinc/26/30/44/1019263044.db2.gz HIEBZXGPAPCJNW-LBPRGKRZSA-N -1 3 303.366 0.303 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)N1CCC[C@H]([C@H](C)NCC#N)C1 ZINC001496444519 1019316825 /nfs/dbraw/zinc/31/68/25/1019316825.db2.gz ALTHFTQCQBVYPS-JQWIXIFHSA-N -1 3 303.366 0.845 20 30 DCEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1csnc1C(=O)OC ZINC000358189779 529448568 /nfs/dbraw/zinc/44/85/68/529448568.db2.gz VXIADLNLMMCYJL-ZETCQYMHSA-N -1 3 303.365 0.900 20 30 DCEDHM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)C[C@H]2CCOC2)c1 ZINC000171959546 198015902 /nfs/dbraw/zinc/01/59/02/198015902.db2.gz PACRFEFHKZRFRL-ZDUSSCGKSA-N -1 3 322.386 0.562 20 30 DCEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCOCCO ZINC000158107282 237062124 /nfs/dbraw/zinc/06/21/24/237062124.db2.gz JQMKCTXCIJXLPI-UHFFFAOYSA-N -1 3 304.755 0.499 20 30 DCEDHM C[C@@H](CC#N)NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177782498 237218860 /nfs/dbraw/zinc/21/88/60/237218860.db2.gz ZEJNVYFJCUHJTB-BJOHPYRUSA-N -1 3 300.318 0.773 20 30 DCEDHM N#CC1(CS(=O)(=O)[N-]CC(=O)Nc2cccc(F)c2)CC1 ZINC000180412212 237256624 /nfs/dbraw/zinc/25/66/24/237256624.db2.gz HDJSMFNNUFVMCT-UHFFFAOYSA-N -1 3 311.338 0.987 20 30 DCEDHM CNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000169284602 291249318 /nfs/dbraw/zinc/24/93/18/291249318.db2.gz PMVVINCWHQIHQY-ZETCQYMHSA-N -1 3 301.755 0.624 20 30 DCEDHM N#CCC1(O)CN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)C1 ZINC000356575434 239010372 /nfs/dbraw/zinc/01/03/72/239010372.db2.gz JJKWYDOOSJWRAN-UHFFFAOYSA-N -1 3 319.267 0.907 20 30 DCEDHM N#Cc1cncc(S(=O)(=O)[N-][C@H]2CNCCC2(F)F)c1 ZINC000420447563 240031540 /nfs/dbraw/zinc/03/15/40/240031540.db2.gz QEBBVZUNRBOUHL-JTQLQIEISA-N -1 3 302.306 0.229 20 30 DCEDHM Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2ccccc2C#N)cn1 ZINC000339789786 253144458 /nfs/dbraw/zinc/14/44/58/253144458.db2.gz ZWJHMIDMAVFRPD-GFCCVEGCSA-N -1 3 306.347 0.304 20 30 DCEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COC[C@H]1O ZINC000295242663 224605318 /nfs/dbraw/zinc/60/53/18/224605318.db2.gz DXGSWCDMDYQZGV-NXEZZACHSA-N -1 3 302.739 0.250 20 30 DCEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](CO)c1ccccc1 ZINC000236507831 395894505 /nfs/dbraw/zinc/89/45/05/395894505.db2.gz JMBXSXSDGZDLSX-ZDUSSCGKSA-N -1 3 303.343 0.965 20 30 DCEDHM CC1(C)CN(CC[N-]S(=O)(=O)c2cccnc2C#N)CCO1 ZINC000276952192 396039770 /nfs/dbraw/zinc/03/97/70/396039770.db2.gz BUFURSLINPPQLN-UHFFFAOYSA-N -1 3 324.406 0.342 20 30 DCEDHM CCOC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cccnc2C#N)C1 ZINC000277235314 396057097 /nfs/dbraw/zinc/05/70/97/396057097.db2.gz UCPJTMREVUYSRX-JTQLQIEISA-N -1 3 324.362 0.462 20 30 DCEDHM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000277272344 396059109 /nfs/dbraw/zinc/05/91/09/396059109.db2.gz YBKAZGRREFSSBG-VIFPVBQESA-N -1 3 317.392 0.055 20 30 DCEDHM C=CCNC(=O)[C@H](C)Sc1[n-]c(=O)nc(C)c1C(=O)OC ZINC000069450683 396078669 /nfs/dbraw/zinc/07/86/69/396078669.db2.gz JBISMWGAMJHLMA-QMMMGPOBSA-N -1 3 311.363 0.648 20 30 DCEDHM C=CC[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000263983803 396247338 /nfs/dbraw/zinc/24/73/38/396247338.db2.gz GYZYHSSLSNZANT-UHFFFAOYSA-N -1 3 300.292 0.830 20 30 DCEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)C(N)=O ZINC000287614683 396411493 /nfs/dbraw/zinc/41/14/93/396411493.db2.gz ZPUNGXWFXYRODT-LLVKDONJSA-N -1 3 315.782 1.000 20 30 DCEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nncn1C ZINC000269646760 396432125 /nfs/dbraw/zinc/43/21/25/396432125.db2.gz GJNHDVDVMBDVHX-MRVPVSSYSA-N -1 3 309.326 0.865 20 30 DCEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1nnc2n1CCC2 ZINC000269674311 396435597 /nfs/dbraw/zinc/43/55/97/396435597.db2.gz PTZQCXZDCXRRQP-UHFFFAOYSA-N -1 3 321.337 0.714 20 30 DCEDHM C=CCN(C(=O)c1cccc2[n-]nnc21)[C@@H]1CCS(=O)(=O)C1 ZINC000540963479 396610420 /nfs/dbraw/zinc/61/04/20/396610420.db2.gz SETZZYHLFOSITD-SNVBAGLBSA-N -1 3 320.374 0.773 20 30 DCEDHM C=CCN(C(=O)c1cccc2nn[n-]c21)[C@@H]1CCS(=O)(=O)C1 ZINC000540963479 396610422 /nfs/dbraw/zinc/61/04/22/396610422.db2.gz SETZZYHLFOSITD-SNVBAGLBSA-N -1 3 320.374 0.773 20 30 DCEDHM C=CCN(C(=O)c1cccc2n[n-]nc21)[C@@H]1CCS(=O)(=O)C1 ZINC000540963479 396610425 /nfs/dbraw/zinc/61/04/25/396610425.db2.gz SETZZYHLFOSITD-SNVBAGLBSA-N -1 3 320.374 0.773 20 30 DCEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2COC[C@H]2O)c1 ZINC000295276521 396689175 /nfs/dbraw/zinc/68/91/75/396689175.db2.gz ICTABOCAQYORMI-NXEZZACHSA-N -1 3 302.739 0.250 20 30 DCEDHM CC#CC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)OC)oc1C ZINC000592110376 397095765 /nfs/dbraw/zinc/09/57/65/397095765.db2.gz CCBRRWSVTKTLTP-SNVBAGLBSA-N -1 3 315.347 0.427 20 30 DCEDHM Cn1cc([C@@H](CO)[N-]S(=O)(=O)c2cccc(CC#N)c2)cn1 ZINC000619493645 397139238 /nfs/dbraw/zinc/13/92/38/397139238.db2.gz ZAUOBRJSTCEGOY-CQSZACIVSA-N -1 3 320.374 0.498 20 30 DCEDHM C=CCCOCC(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000620169394 397247497 /nfs/dbraw/zinc/24/74/97/397247497.db2.gz YDJVJMPIFQBNGH-UHFFFAOYSA-N -1 3 318.420 0.865 20 30 DCEDHM COC(=O)[C@@H]([N-]S(=O)(=O)N(C)[C@H](C)CC#N)C(C)(C)C ZINC000619749860 397187997 /nfs/dbraw/zinc/18/79/97/397187997.db2.gz BQHDRWVRVIKLFS-NXEZZACHSA-N -1 3 305.400 0.642 20 30 DCEDHM C[C@H](CC#N)N(C)S(=O)(=O)[N-][C@H]1Cc2ccccc2NC1=O ZINC000599457968 397445885 /nfs/dbraw/zinc/44/58/85/397445885.db2.gz XNLGEUUOIKMGII-MFKMUULPSA-N -1 3 322.390 0.618 20 30 DCEDHM N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(=O)[n-]cn3)C2)nc1 ZINC000599961837 397553821 /nfs/dbraw/zinc/55/38/21/397553821.db2.gz GPIGSBBFFDAXCM-LLVKDONJSA-N -1 3 311.301 0.742 20 30 DCEDHM N#Cc1cc([O-])cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c1 ZINC000599936767 397544079 /nfs/dbraw/zinc/54/40/79/397544079.db2.gz BUPCVBHOZSCMHH-KGLIPLIRSA-N -1 3 301.346 0.545 20 30 DCEDHM N#Cc1cc([O-])cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c1 ZINC000599936769 397544383 /nfs/dbraw/zinc/54/43/83/397544383.db2.gz BUPCVBHOZSCMHH-UONOGXRCSA-N -1 3 301.346 0.545 20 30 DCEDHM CN(C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)nc2)cs1 ZINC000610471245 397823873 /nfs/dbraw/zinc/82/38/73/397823873.db2.gz ZLVKKECZOVTGNQ-UHFFFAOYSA-N -1 3 323.403 0.954 20 30 DCEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2COCCO2)c1 ZINC000160778491 158355555 /nfs/dbraw/zinc/35/55/55/158355555.db2.gz XDEYILWIRXYYPV-JTQLQIEISA-N -1 3 316.766 0.905 20 30 DCEDHM N#Cc1ncccc1S(=O)(=O)[N-]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000318290148 159006597 /nfs/dbraw/zinc/00/65/97/159006597.db2.gz MSYNBCGPPCUEEK-NWDGAFQWSA-N -1 3 322.390 0.095 20 30 DCEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000366887595 159295215 /nfs/dbraw/zinc/29/52/15/159295215.db2.gz WEMKAAAYWMDZCI-CMPLNLGQSA-N -1 3 320.374 0.385 20 30 DCEDHM CCc1n[n-]c(S(=O)(=O)CC(=O)Nc2ccc(C#N)cc2)n1 ZINC000153130201 287047293 /nfs/dbraw/zinc/04/72/93/287047293.db2.gz HZRWOJDCQHBSDR-UHFFFAOYSA-N -1 3 319.346 0.651 20 30 DCEDHM CCc1nnc(S(=O)(=O)CC(=O)Nc2ccc(C#N)cc2)[n-]1 ZINC000153130201 287047295 /nfs/dbraw/zinc/04/72/95/287047295.db2.gz HZRWOJDCQHBSDR-UHFFFAOYSA-N -1 3 319.346 0.651 20 30 DCEDHM Cn1cnnc1C[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000048665928 415295008 /nfs/dbraw/zinc/29/50/08/415295008.db2.gz SKRKHTKMFYHEMF-UHFFFAOYSA-N -1 3 311.754 0.819 20 30 DCEDHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N(CC#N)C1CC1 ZINC000049426076 415309282 /nfs/dbraw/zinc/30/92/82/415309282.db2.gz PCTAYBHGNLDWET-VIFPVBQESA-N -1 3 313.404 0.929 20 30 DCEDHM CN(C)c1nccc(C[N-]S(=O)(=O)c2ccccc2C#N)n1 ZINC000342999492 415398893 /nfs/dbraw/zinc/39/88/93/415398893.db2.gz DIXIEJFZAIMOBY-UHFFFAOYSA-N -1 3 317.374 0.893 20 30 DCEDHM CC(=O)Nc1ccc([O-])c(C(=O)NCCn2cnc(C#N)n2)c1 ZINC000343039838 415414562 /nfs/dbraw/zinc/41/45/62/415414562.db2.gz YAJOEHKPCUQYDB-UHFFFAOYSA-N -1 3 314.305 0.244 20 30 DCEDHM N#Cc1cccc(F)c1CC(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000353585273 415597612 /nfs/dbraw/zinc/59/76/12/415597612.db2.gz QSBJFLAJLQCVHO-LBPRGKRZSA-N -1 3 316.292 0.002 20 30 DCEDHM C[C@H](CC#N)N(C)C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000290360463 415796263 /nfs/dbraw/zinc/79/62/63/415796263.db2.gz KEFYYTWSVOQLPS-SNVBAGLBSA-N -1 3 313.354 0.865 20 30 DCEDHM COc1ccc(C([O-])=C(C#N)c2ccncn2)cc1-n1cnnn1 ZINC000354470455 415796669 /nfs/dbraw/zinc/79/66/69/415796669.db2.gz NUHGSGWAJPOTMI-NSHDSACASA-N -1 3 321.300 0.951 20 30 DCEDHM C[C@@H](CC#N)NC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000338081105 416042298 /nfs/dbraw/zinc/04/22/98/416042298.db2.gz XYTFSDLACCAMIM-JTQLQIEISA-N -1 3 313.354 0.912 20 30 DCEDHM C/C=C\C[C@H]([N-]S(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)OCC ZINC000337755373 416006085 /nfs/dbraw/zinc/00/60/85/416006085.db2.gz BEDZEMLVDZFGIE-RAUBUVQISA-N -1 3 317.411 0.953 20 30 DCEDHM C/C=C/C[C@H]([N-]S(=O)(=O)N(C)[C@@H](C)CC#N)C(=O)OCC ZINC000337755376 416006281 /nfs/dbraw/zinc/00/62/81/416006281.db2.gz BEDZEMLVDZFGIE-YILIYONBSA-N -1 3 317.411 0.953 20 30 DCEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)C(N)=O ZINC000344951276 416013514 /nfs/dbraw/zinc/01/35/14/416013514.db2.gz BZSBSRIWOCIFMX-NSHDSACASA-N -1 3 315.782 1.000 20 30 DCEDHM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(C#N)nc1 ZINC000177003262 416137732 /nfs/dbraw/zinc/13/77/32/416137732.db2.gz CKFUIUXZNYUFOS-LBPRGKRZSA-N -1 3 318.362 0.667 20 30 DCEDHM N#CC1(CS(=O)(=O)[N-]C[C@H]2CCCS2(=O)=O)CCCC1 ZINC000329505511 416172881 /nfs/dbraw/zinc/17/28/81/416172881.db2.gz IONXJBGGTBLBKT-LLVKDONJSA-N -1 3 320.436 0.567 20 30 DCEDHM Cn1nc2c(c1CNC(=O)c1cn(C)c(=O)[n-]c1=O)CCCC2 ZINC000329755767 416189555 /nfs/dbraw/zinc/18/95/55/416189555.db2.gz YGYAXRMLWQADSQ-UHFFFAOYSA-N -1 3 317.349 0.603 20 30 DCEDHM C[C@@H](C#N)[N-]S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000339416597 416158162 /nfs/dbraw/zinc/15/81/62/416158162.db2.gz OJWXKTRMJIRQQU-ZETCQYMHSA-N -1 3 313.291 0.556 20 30 DCEDHM CS(=O)(=O)[N-]c1cncc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000348539963 416240707 /nfs/dbraw/zinc/24/07/07/416240707.db2.gz ZJPURKFIABPOEU-JOYOIKCWSA-N -1 3 308.363 0.875 20 30 DCEDHM COC[C@@H](C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F)OC ZINC000358526332 416250446 /nfs/dbraw/zinc/25/04/46/416250446.db2.gz XHOVXNNHRLEHFD-GFCCVEGCSA-N -1 3 316.354 0.778 20 30 DCEDHM C=C[C@@H](CO)[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC000349796867 416260777 /nfs/dbraw/zinc/26/07/77/416260777.db2.gz CHTFODVICPXZHM-JTQLQIEISA-N -1 3 303.311 0.438 20 30 DCEDHM CC(C)c1nnc(C[N-]S(=O)(=O)c2cncc(C#N)c2)n1C ZINC000352242154 416310307 /nfs/dbraw/zinc/31/03/07/416310307.db2.gz RNOKZVPBMJGCTG-UHFFFAOYSA-N -1 3 320.378 0.684 20 30 DCEDHM CO[C@@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CCOC1 ZINC000359234146 416314765 /nfs/dbraw/zinc/31/47/65/416314765.db2.gz MPDUIQINOGOSMG-CYBMUJFWSA-N -1 3 314.338 0.781 20 30 DCEDHM C#C[C@H](C)[N-]S(=O)(=O)c1ccc(CCNC(C)=O)s1 ZINC000193518892 416318184 /nfs/dbraw/zinc/31/81/84/416318184.db2.gz CKATUSSKKWWEPZ-VIFPVBQESA-N -1 3 300.405 0.727 20 30 DCEDHM C#CCN(CC#C)C(=O)C(=O)[N-]c1sccc1C(=O)OC ZINC000190437912 416279171 /nfs/dbraw/zinc/27/91/71/416279171.db2.gz ADQMZYPHFHGXNW-UHFFFAOYSA-N -1 3 304.327 0.568 20 30 DCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@]2(O)CCSC2)s1 ZINC000331226224 416290882 /nfs/dbraw/zinc/29/08/82/416290882.db2.gz NIAUQKATFLJZTJ-SNVBAGLBSA-N -1 3 304.418 0.766 20 30 DCEDHM COC[C@@]1(C[N-]S(=O)(=O)[C@H](C)C#N)OCCc2ccccc21 ZINC000416484843 416371745 /nfs/dbraw/zinc/37/17/45/416371745.db2.gz WWODLCKTDYXSMK-IUODEOHRSA-N -1 3 324.402 0.932 20 30 DCEDHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C1CC1 ZINC000435445991 416521295 /nfs/dbraw/zinc/52/12/95/416521295.db2.gz INDCGHJQXQJMRQ-JTQLQIEISA-N -1 3 300.361 0.850 20 30 DCEDHM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)C(N)=O ZINC000435439085 416521375 /nfs/dbraw/zinc/52/13/75/416521375.db2.gz RCMQANZYXVVRFW-VIFPVBQESA-N -1 3 301.393 0.798 20 30 DCEDHM C[C@H](C#N)CNC(=O)Nc1ccc(C[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000535811895 416532971 /nfs/dbraw/zinc/53/29/71/416532971.db2.gz XXRKPMHHUIVYOW-SKDRFNHKSA-N -1 3 315.333 0.718 20 30 DCEDHM C#C[C@@H](C)N(C)C(=O)CC/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000491484610 416601701 /nfs/dbraw/zinc/60/17/01/416601701.db2.gz JUHLEVMMFJQEOK-LLVKDONJSA-N -1 3 319.386 0.595 20 30 DCEDHM C#CCN(C(=O)c1ccc2n[n-]nc2c1)[C@H]1CCS(=O)(=O)C1 ZINC000490618627 416571244 /nfs/dbraw/zinc/57/12/44/416571244.db2.gz YJKXNVIFVILVJB-NSHDSACASA-N -1 3 318.358 0.220 20 30 DCEDHM CC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443104505 416732479 /nfs/dbraw/zinc/73/24/79/416732479.db2.gz DTEYXRNPBRQDPF-UHFFFAOYSA-N -1 3 301.755 0.626 20 30 DCEDHM CO[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000516924663 416756510 /nfs/dbraw/zinc/75/65/10/416756510.db2.gz SBBVKGPHJJQIQH-GHMZBOCLSA-N -1 3 316.766 0.904 20 30 DCEDHM CC(=O)Nc1ccc(S(=O)(=O)[N-]CC#CCO)c(F)c1 ZINC000632516978 417140596 /nfs/dbraw/zinc/14/05/96/417140596.db2.gz UYVZOZHSBFSDMQ-UHFFFAOYSA-N -1 3 300.311 0.058 20 30 DCEDHM C[C@H](NC(=O)c1ccc(C#N)c([O-])c1)C(=O)NCCN(C)C ZINC000569018853 417205793 /nfs/dbraw/zinc/20/57/93/417205793.db2.gz DLYHNALQVDIFCM-JTQLQIEISA-N -1 3 304.350 0.060 20 30 DCEDHM C=CCC[C@@H]([N-]S(=O)(=O)C[C@H]1CCOC1)C(=O)OCC ZINC000451995375 417428779 /nfs/dbraw/zinc/42/87/79/417428779.db2.gz OWTMAHFAYLYHSB-NWDGAFQWSA-N -1 3 305.396 0.840 20 30 DCEDHM CCOC(=O)CC(C(F)(F)F)S(=O)(=O)[N-]C[C@@H](C)C#N ZINC000571493658 417446326 /nfs/dbraw/zinc/44/63/26/417446326.db2.gz HAFBQIFBAIVZKZ-YUMQZZPRSA-N -1 3 316.301 0.950 20 30 DCEDHM CC#CC[C@H](CO)[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000645884874 417815653 /nfs/dbraw/zinc/81/56/53/417815653.db2.gz VACMNTDMOZYDLJ-SECBINFHSA-N -1 3 317.392 0.154 20 30 DCEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659490570 418104967 /nfs/dbraw/zinc/10/49/67/418104967.db2.gz ZRBCWCUYZOTVFG-IINYFYTJSA-N -1 3 321.381 0.421 20 30 DCEDHM N#Cc1ccccc1N1CCN(c2nc3[nH][n-]cc-3c(=N)n2)CC1 ZINC000354525680 261233097 /nfs/dbraw/zinc/23/30/97/261233097.db2.gz ICBAYMBDFSUKSA-UHFFFAOYSA-N -1 3 320.360 0.915 20 30 DCEDHM COC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000496351211 267382588 /nfs/dbraw/zinc/38/25/88/267382588.db2.gz PPUCRWNKANPUKC-UHFFFAOYSA-N -1 3 317.754 0.846 20 30 DCEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCN(CCCO)C2)o1 ZINC000296091613 268205212 /nfs/dbraw/zinc/20/52/12/268205212.db2.gz FWAICPHPDKYESL-LLVKDONJSA-N -1 3 313.379 0.276 20 30 DCEDHM N#Cc1cccc([N+](=O)[O-])c1N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000425246338 268292491 /nfs/dbraw/zinc/29/24/91/268292491.db2.gz KZOYFMKVSZRXBW-JTQLQIEISA-N -1 3 301.262 0.207 20 30 DCEDHM CO[C@]1(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)CCOC1 ZINC000359234147 271109905 /nfs/dbraw/zinc/10/99/05/271109905.db2.gz MPDUIQINOGOSMG-ZDUSSCGKSA-N -1 3 314.338 0.781 20 30 DCEDHM CC(C)(C)OC(=O)NC1(C(=O)N[C@@H]2CCCN([O-])C2=O)CC1 ZINC000496686964 272335963 /nfs/dbraw/zinc/33/59/63/272335963.db2.gz XIJDBGMLOJTVGR-SECBINFHSA-N -1 3 313.354 0.540 20 30 DCEDHM CC(C)[C@@](C)([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(N)=O ZINC000285157745 280112228 /nfs/dbraw/zinc/11/22/28/280112228.db2.gz AJRVELYYWNWFIL-CYBMUJFWSA-N -1 3 313.354 0.876 20 30 DCEDHM COC[C@@](C)(O)C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000556735810 288388965 /nfs/dbraw/zinc/38/89/65/288388965.db2.gz NEILTLZIRUPKDG-ZDUSSCGKSA-N -1 3 316.354 0.514 20 30 DCEDHM Cn1cc(C(=O)NCC#Cc2cccc(F)c2)c(=O)[n-]c1=O ZINC000338255802 294218581 /nfs/dbraw/zinc/21/85/81/294218581.db2.gz YCYFKKBBLQKYKK-UHFFFAOYSA-N -1 3 301.277 0.407 20 30 DCEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCCNC1=O ZINC000331261274 303175160 /nfs/dbraw/zinc/17/51/60/303175160.db2.gz CEWRPYCBFHXLNA-SNVBAGLBSA-N -1 3 313.766 0.769 20 30 DCEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@@H](C)c1nnc(C)o1 ZINC000573506591 332123759 /nfs/dbraw/zinc/12/37/59/332123759.db2.gz LGPIILYERVQOPI-IUCAKERBSA-N -1 3 301.372 0.755 20 30 DCEDHM C=C[C@@H](CO)NC(=O)c1c[n-]c2cc(F)c(OC)cc2c1=O ZINC000426861976 332159028 /nfs/dbraw/zinc/15/90/28/332159028.db2.gz OUPZHCBXTALSBH-QMMMGPOBSA-N -1 3 306.293 0.953 20 30 DCEDHM N#CC1(CS(=O)(=O)[N-][C@H]2CCS(=O)(=O)C2)CCCCC1 ZINC000408306803 332453976 /nfs/dbraw/zinc/45/39/76/332453976.db2.gz BNAFGINHZKWQGL-NSHDSACASA-N -1 3 320.436 0.567 20 30 DCEDHM C=CCC[C@H]([N-]S(=O)(=O)CC1(C)COC1)C(=O)OCC ZINC000562550000 332603252 /nfs/dbraw/zinc/60/32/52/332603252.db2.gz QIPVOTAQUGEZBQ-NSHDSACASA-N -1 3 305.396 0.840 20 30 DCEDHM C#C[C@H](C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C ZINC000491761543 333193884 /nfs/dbraw/zinc/19/38/84/333193884.db2.gz WERXOFCDHSMPKI-JTQLQIEISA-N -1 3 316.404 0.237 20 30 DCEDHM C=C[C@@H](CO)[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000289649870 334166968 /nfs/dbraw/zinc/16/69/68/334166968.db2.gz AUBMVCIZJBACCJ-ZETCQYMHSA-N -1 3 320.298 0.568 20 30 DCEDHM C[C@@](O)(C[N-]S(=O)(=O)CC1(CC#N)CC1)C(F)(F)F ZINC000451360797 338731270 /nfs/dbraw/zinc/73/12/70/338731270.db2.gz YOBBJQUEGNPRQK-MRVPVSSYSA-N -1 3 300.302 0.913 20 30 DCEDHM C=CC(C)(C)CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000452775746 338778868 /nfs/dbraw/zinc/77/88/68/338778868.db2.gz PFUFYPSHZHWYGX-UHFFFAOYSA-N -1 3 300.384 0.027 20 30 DCEDHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)CCCOC)n1 ZINC001565989513 1159869408 /nfs/dbraw/zinc/86/94/08/1159869408.db2.gz LXKYCLCDJJXYBO-UHFFFAOYSA-N -1 3 306.366 0.338 20 30 DCEDHM C=CCCC(=O)NCC1(NCc2nc(=O)n(C)[n-]2)CCCC1 ZINC001568232116 1160609682 /nfs/dbraw/zinc/60/96/82/1160609682.db2.gz LTLGKJWKOAQCLT-UHFFFAOYSA-N -1 3 307.398 0.593 20 30 DCEDHM CNC(=O)CC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000156620912 524069339 /nfs/dbraw/zinc/06/93/39/524069339.db2.gz JTFXCLXAVFIAQK-UHFFFAOYSA-N -1 3 301.755 0.626 20 30 DCEDHM C#CCN(CC#N)C(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000281143882 526873169 /nfs/dbraw/zinc/87/31/69/526873169.db2.gz AYZXREBDCUCYHG-JTQLQIEISA-N -1 3 311.388 0.400 20 30 DCEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)CCc1scnc1C ZINC000278508636 527285338 /nfs/dbraw/zinc/28/53/38/527285338.db2.gz DTCPBOBCYCAWDG-UHFFFAOYSA-N -1 3 314.392 0.539 20 30 DCEDHM C#C[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000277815166 527343897 /nfs/dbraw/zinc/34/38/97/527343897.db2.gz XUJGCBFBHUYOJX-QMMMGPOBSA-N -1 3 312.303 0.681 20 30 DCEDHM CCOC(=O)[C@@H]([N-]S(=O)(=O)N(C)CCC#N)[C@@H](C)CC ZINC000360769764 527812885 /nfs/dbraw/zinc/81/28/85/527812885.db2.gz RUKXCTHLISFRPA-QWRGUYRKSA-N -1 3 305.400 0.644 20 30 DCEDHM C=C[C@H](O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000669090940 546917892 /nfs/dbraw/zinc/91/78/92/546917892.db2.gz RKSWNBXJPWEXRY-NSHDSACASA-N -1 3 314.338 0.752 20 30 DCEDHM C=CCOCC(=O)N1CC[C@](C)(CNCc2n[nH]c(=O)[n-]2)C1 ZINC001671714512 1175032954 /nfs/dbraw/zinc/03/29/54/1175032954.db2.gz HEUNWQGCVCPTRP-CQSZACIVSA-N -1 3 309.370 0.041 20 30 DCEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000735561547 598917507 /nfs/dbraw/zinc/91/75/07/598917507.db2.gz ZMWAFRLLYMZURV-SSDOTTSWSA-N -1 3 320.334 0.110 20 30 DCEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000735561547 598917508 /nfs/dbraw/zinc/91/75/08/598917508.db2.gz ZMWAFRLLYMZURV-SSDOTTSWSA-N -1 3 320.334 0.110 20 30 DCEDHM Cn1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1=O ZINC000737612907 599192128 /nfs/dbraw/zinc/19/21/28/599192128.db2.gz MAKJGHYTBDUOLZ-UHFFFAOYSA-N -1 3 321.300 0.689 20 30 DCEDHM N#Cc1ccccc1OCC(=O)Nc1ccncc1-c1nnn[n-]1 ZINC000737727036 599256197 /nfs/dbraw/zinc/25/61/97/599256197.db2.gz CCWLGCAAUZPPRG-UHFFFAOYSA-N -1 3 321.300 0.573 20 30 DCEDHM N#Cc1ccccc1OCC(=O)Nc1ccncc1-c1nn[n-]n1 ZINC000737727036 599256199 /nfs/dbraw/zinc/25/61/99/599256199.db2.gz CCWLGCAAUZPPRG-UHFFFAOYSA-N -1 3 321.300 0.573 20 30 DCEDHM C[C@@](C#N)(CC(=O)[O-])C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000819821241 597655157 /nfs/dbraw/zinc/65/51/57/597655157.db2.gz DZQUQEOOJNWQCZ-WFASDCNBSA-N -1 3 309.366 0.360 20 30 DCEDHM 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COc1cc2c(cc1C(=O)N[C@H]1CCCN([O-])C1=O)OCO2 ZINC000848134723 670640349 /nfs/dbraw/zinc/64/03/49/670640349.db2.gz DAUQCOBPLPUKED-VIFPVBQESA-N -1 3 308.290 0.534 20 30 DCEDHM Cc1nn(CC(F)(F)F)cc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848136467 670640886 /nfs/dbraw/zinc/64/08/86/670640886.db2.gz NIXNBQJOMNVWTF-SECBINFHSA-N -1 3 320.271 0.864 20 30 DCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1noc(-c2cccc(F)c2)n1 ZINC000848136654 670641380 /nfs/dbraw/zinc/64/13/80/670641380.db2.gz OYBDHWWPGZZUTM-SNVBAGLBSA-N -1 3 320.280 0.986 20 30 DCEDHM Cn1c(=O)[nH]c2cc(C(=O)N[C@H]3CCCN([O-])C3=O)ccc21 ZINC000848137393 670642404 /nfs/dbraw/zinc/64/24/04/670642404.db2.gz AGOMPOJPKMSNLG-VIFPVBQESA-N -1 3 304.306 0.389 20 30 DCEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cc(-c2ccncc2)on1 ZINC000848139564 670643043 /nfs/dbraw/zinc/64/30/43/670643043.db2.gz YUNYUHPHLJEELM-JTQLQIEISA-N -1 3 302.290 0.847 20 30 DCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(Cn2cccn2)o1 ZINC000848139042 670643211 /nfs/dbraw/zinc/64/32/11/670643211.db2.gz WSWCQMBZRKNTQG-LLVKDONJSA-N -1 3 304.306 0.634 20 30 DCEDHM NC(=O)N[C@H](CC(=O)N[C@H]1CCCN([O-])C1=O)c1ccccc1 ZINC000848139310 670643294 /nfs/dbraw/zinc/64/32/94/670643294.db2.gz ZNTZUDNICAYYNW-NWDGAFQWSA-N -1 3 320.349 0.283 20 30 DCEDHM C#C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]C)oc2C)C1 ZINC000848281724 670662394 /nfs/dbraw/zinc/66/23/94/670662394.db2.gz HHBDNCSMQCJDJQ-NSHDSACASA-N -1 3 310.375 0.982 20 30 DCEDHM O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCN([O-])C1=O ZINC000816690708 670839436 /nfs/dbraw/zinc/83/94/36/670839436.db2.gz ANWWRZDPPHLPLJ-JTQLQIEISA-N -1 3 308.294 0.503 20 30 DCEDHM O=C(CCCNC(=O)c1ccsc1)N[C@@H]1CCN([O-])C1=O ZINC000816691872 670841337 /nfs/dbraw/zinc/84/13/37/670841337.db2.gz BBNNAGBNLTXVMH-SNVBAGLBSA-N -1 3 311.363 0.364 20 30 DCEDHM Cc1[nH]c(C(=O)N[C@H]2CCN([O-])C2=O)c(C)c1C(=O)OC(C)C ZINC000816690950 670841579 /nfs/dbraw/zinc/84/15/79/670841579.db2.gz HSQQIRXXPUZTII-JTQLQIEISA-N -1 3 323.349 0.917 20 30 DCEDHM Cc1ccnn1-c1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1 ZINC000816691401 670841826 /nfs/dbraw/zinc/84/18/26/670841826.db2.gz QKVUTIHKKWMEPU-CYBMUJFWSA-N -1 3 300.318 0.901 20 30 DCEDHM Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCN([O-])C3=O)cc2)c1 ZINC000816693096 670842043 /nfs/dbraw/zinc/84/20/43/670842043.db2.gz BUEMKOQOSSKVIT-CYBMUJFWSA-N -1 3 300.318 0.901 20 30 DCEDHM COc1ccc(OCCCC(=O)N[C@@H]2CCN([O-])C2=O)cc1 ZINC000816694218 670844273 /nfs/dbraw/zinc/84/42/73/670844273.db2.gz ATIXPTQBCKZXLN-CYBMUJFWSA-N -1 3 308.334 0.961 20 30 DCEDHM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN([O-])C2=O)C1 ZINC000816695003 670845973 /nfs/dbraw/zinc/84/59/73/670845973.db2.gz SMWXHUNOJUNZNH-MNOVXSKESA-N -1 3 311.382 0.377 20 30 DCEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccc(N2CCCC2=O)cc1 ZINC000816697097 670847207 /nfs/dbraw/zinc/84/72/07/670847207.db2.gz QZSFUUHBNLYFSF-LBPRGKRZSA-N -1 3 303.318 0.533 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000816696602 670847421 /nfs/dbraw/zinc/84/74/21/670847421.db2.gz BXXMGGVJSBJOGQ-GXSJLCMTSA-N -1 3 310.737 0.997 20 30 DCEDHM Cn1ncc(C(=O)N[C@H]2CCCN([O-])C2=O)c1Br ZINC000816754191 670858042 /nfs/dbraw/zinc/85/80/42/670858042.db2.gz YOJPZNOMVQABLZ-ZETCQYMHSA-N -1 3 317.143 0.293 20 30 DCEDHM CCc1nn(C)c(Cl)c1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816754189 670859495 /nfs/dbraw/zinc/85/94/95/670859495.db2.gz YMJJECWPHHUQFN-QMMMGPOBSA-N -1 3 300.746 0.746 20 30 DCEDHM C[S@](=O)Cc1cccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000816755890 670860127 /nfs/dbraw/zinc/86/01/27/670860127.db2.gz LDMGHXHZAVDHOM-GTJPDFRWSA-N -1 3 310.375 0.675 20 30 DCEDHM Cc1cc(C(=O)N[C@@H]2CCCN([O-])C2=O)ccc1-n1cncn1 ZINC000816755598 670860857 /nfs/dbraw/zinc/86/08/57/670860857.db2.gz DSYHDXJDDJNZMZ-GFCCVEGCSA-N -1 3 315.333 0.686 20 30 DCEDHM O=C(CCc1nc(-c2ccco2)no1)N[C@@H]1CCCN([O-])C1=O ZINC000816758136 670862031 /nfs/dbraw/zinc/86/20/31/670862031.db2.gz ITDSOABPDRWTAS-SECBINFHSA-N -1 3 320.305 0.759 20 30 DCEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cccc(N2CCCC2=O)c1 ZINC000816759493 670862782 /nfs/dbraw/zinc/86/27/82/670862782.db2.gz NTNQMRZTWXAETC-ZDUSSCGKSA-N -1 3 317.345 0.923 20 30 DCEDHM CN1C(=O)c2ccc(C(=O)N[C@@H]3CCCN([O-])C3=O)cc2C1=O ZINC000816759768 670863229 /nfs/dbraw/zinc/86/32/29/670863229.db2.gz UQULXLITDKLKSZ-LLVKDONJSA-N -1 3 317.301 0.022 20 30 DCEDHM COCCOc1ccccc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816758254 670863810 /nfs/dbraw/zinc/86/38/10/670863810.db2.gz LJGSHPJDTIYRNK-GFCCVEGCSA-N -1 3 308.334 0.822 20 30 DCEDHM O=C(C[C@H]1CC(=O)Nc2ccccc21)N[C@@H]1CCN([O-])C1=O ZINC000820120161 671166915 /nfs/dbraw/zinc/16/69/15/671166915.db2.gz KYIRGIKVRXBPOW-BXKDBHETSA-N -1 3 303.318 0.609 20 30 DCEDHM CC1(C)OC(=O)c2ccccc2[C@@H]1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820126973 671168675 /nfs/dbraw/zinc/16/86/75/671168675.db2.gz IIGOIQLQSLIPJK-NWDGAFQWSA-N -1 3 318.329 0.826 20 30 DCEDHM O=C(CN1Cc2ccccc2OC1=O)N[C@H]1CCN([O-])C1=O ZINC000820131097 671169208 /nfs/dbraw/zinc/16/92/08/671169208.db2.gz FXIJJIGHDJRNSN-JTQLQIEISA-N -1 3 305.290 0.107 20 30 DCEDHM COCCOc1ccc(CC(=O)N[C@@H]2CCN([O-])C2=O)cc1 ZINC000820143297 671171376 /nfs/dbraw/zinc/17/13/76/671171376.db2.gz GCOGLANELMXOAB-CYBMUJFWSA-N -1 3 308.334 0.361 20 30 DCEDHM CN1C(=O)CCc2cc(C(=O)N[C@@H]3CCN([O-])C3=O)ccc21 ZINC000820149441 671171708 /nfs/dbraw/zinc/17/17/08/671171708.db2.gz OZZSDOKRJGOWDX-LLVKDONJSA-N -1 3 303.318 0.316 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000820156741 671172695 /nfs/dbraw/zinc/17/26/95/671172695.db2.gz MPWOZAKYPSHEMU-JOYOIKCWSA-N -1 3 321.308 0.285 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccccc1Cn1cccn1 ZINC000820156587 671173030 /nfs/dbraw/zinc/17/30/30/671173030.db2.gz LJSBVVZHSCJJMH-CYBMUJFWSA-N -1 3 300.318 0.651 20 30 DCEDHM C[C@]1(C(=O)N[C@H]2CCN([O-])C2=O)Cc2ccccc2C(=O)O1 ZINC000820180424 671176433 /nfs/dbraw/zinc/17/64/33/671176433.db2.gz XOECFMSUABQDFB-XHDPSFHLSA-N -1 3 304.302 0.265 20 30 DCEDHM Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820471531 671203847 /nfs/dbraw/zinc/20/38/47/671203847.db2.gz YPDBHTXXYLZBBZ-VIFPVBQESA-N -1 3 312.257 0.426 20 30 DCEDHM COc1cccc2c1OCC(C(=O)N[C@@H]1CCCN([O-])C1=O)=C2 ZINC000820482922 671205975 /nfs/dbraw/zinc/20/59/75/671205975.db2.gz UITXQEGTIBSHJS-GFCCVEGCSA-N -1 3 318.329 0.967 20 30 DCEDHM Cc1[nH]nc(Br)c1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000820544770 671209200 /nfs/dbraw/zinc/20/92/00/671209200.db2.gz QSAXOGQUUXNLQP-ZCFIWIBFSA-N -1 3 317.143 0.591 20 30 DCEDHM N#C[C@@H]1COCCN1CCOc1cccc(-c2nnn[n-]2)c1 ZINC000822806212 671346430 /nfs/dbraw/zinc/34/64/30/671346430.db2.gz KXKJZBMIFLFTTC-GFCCVEGCSA-N -1 3 300.322 0.470 20 30 DCEDHM N#C[C@@H]1COCCN1CCOc1cccc(-c2nn[n-]n2)c1 ZINC000822806212 671346433 /nfs/dbraw/zinc/34/64/33/671346433.db2.gz KXKJZBMIFLFTTC-GFCCVEGCSA-N -1 3 300.322 0.470 20 30 DCEDHM CN(CC#N)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000825887438 671474629 /nfs/dbraw/zinc/47/46/29/671474629.db2.gz GQHMHJLUQDQZBA-ZDUSSCGKSA-N -1 3 311.349 0.817 20 30 DCEDHM CN(CC#N)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825887438 671474630 /nfs/dbraw/zinc/47/46/30/671474630.db2.gz GQHMHJLUQDQZBA-ZDUSSCGKSA-N -1 3 311.349 0.817 20 30 DCEDHM C=CC[C@@H](CO)[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000867100430 671750796 /nfs/dbraw/zinc/75/07/96/671750796.db2.gz KABGWJPMBAQWAI-ZETCQYMHSA-N -1 3 324.200 0.398 20 30 DCEDHM COC(=O)[C@@H](F)C[N-]S(=O)(=O)c1cccc(F)c1C#N ZINC000841545418 671941558 /nfs/dbraw/zinc/94/15/58/671941558.db2.gz PJGKTSZKLRXCRL-VIFPVBQESA-N -1 3 304.274 0.487 20 30 DCEDHM C=CCn1cccc1C(=O)N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001020241438 693742373 /nfs/dbraw/zinc/74/23/73/693742373.db2.gz KXVHIGYZYNXMSJ-XYPYZODXSA-N -1 3 316.365 0.548 20 30 DCEDHM C#Cc1cncc(C(=O)N2CC[C@](C)(NC(=O)c3cn[n-]n3)C2)c1 ZINC000957185890 686989301 /nfs/dbraw/zinc/98/93/01/686989301.db2.gz BEIOKOGXBVVLTK-INIZCTEOSA-N -1 3 324.344 0.216 20 30 DCEDHM C#CCCN1CC[C@H]1CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001038934119 694246009 /nfs/dbraw/zinc/24/60/09/694246009.db2.gz BBGGTYYASYDKNF-LBPRGKRZSA-N -1 3 311.341 0.398 20 30 DCEDHM O=C(C#CC1CC1)N1CCC[C@@H](NC(=O)c2cn[n-]n2)CC1 ZINC000965012325 689338241 /nfs/dbraw/zinc/33/82/41/689338241.db2.gz LZJYBWQVKGNDPK-GFCCVEGCSA-N -1 3 301.350 0.329 20 30 DCEDHM C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3cn[n-]n3)C[C@H]2C)cc1 ZINC001013530654 691903556 /nfs/dbraw/zinc/90/35/56/691903556.db2.gz SDBAESIWEFQIKV-RISCZKNCSA-N -1 3 323.356 0.819 20 30 DCEDHM C#Cc1ccc(C(=O)N(C)C2CC(NC(=O)c3cn[n-]n3)C2)cn1 ZINC001016809176 692775720 /nfs/dbraw/zinc/77/57/20/692775720.db2.gz SYUWWIPTSJXGKJ-UHFFFAOYSA-N -1 3 324.344 0.214 20 30 DCEDHM C#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001017643874 692957785 /nfs/dbraw/zinc/95/77/85/692957785.db2.gz CWFVFSOWOXDTLQ-BETUJISGSA-N -1 3 312.373 0.982 20 30 DCEDHM C=C[C@@](C)(CC)C(=O)N1CC[C@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001019332665 693436471 /nfs/dbraw/zinc/43/64/71/693436471.db2.gz USORGGKTYAQXNJ-NHYWBVRUSA-N -1 3 307.398 0.401 20 30 DCEDHM C[C@@H](C#N)C(=O)NC1(C)CCN(C(=O)c2cnc[n-]c2=O)CC1 ZINC001073111810 694706089 /nfs/dbraw/zinc/70/60/89/694706089.db2.gz XKXOFXCUPSBCSK-JTQLQIEISA-N -1 3 317.349 0.453 20 30 DCEDHM CC#CCN1CCCO[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001073583847 694746688 /nfs/dbraw/zinc/74/66/88/694746688.db2.gz GNYFTNBPKQDDOG-CYBMUJFWSA-N -1 3 303.362 0.631 20 30 DCEDHM CC(C)C#CC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)C[C@H]1C ZINC001075057011 694936450 /nfs/dbraw/zinc/93/64/50/694936450.db2.gz AOTRKKYYEUUKLN-NEPJUHHUSA-N -1 3 303.366 0.573 20 30 DCEDHM C=CCC(CC=C)C(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001687163199 1157375835 /nfs/dbraw/zinc/37/58/35/1157375835.db2.gz OQEGXFKPIOIQEC-GFCCVEGCSA-N -1 3 303.366 0.904 20 30 DCEDHM C#CCNCc1cc(=O)[n-]c(CNC(=O)C[C@@](C)(O)C2CC2)n1 ZINC001691419357 1157668943 /nfs/dbraw/zinc/66/89/43/1157668943.db2.gz UIKLYBWJTOSHEE-MRXNPFEDSA-N -1 3 318.377 0.072 20 30 DCEDHM N#CCNCc1cc(=O)[n-]c(CNC(=O)c2ccc(F)cn2)n1 ZINC001691418895 1157668955 /nfs/dbraw/zinc/66/89/55/1157668955.db2.gz ODOFPPKJKYPRNF-UHFFFAOYSA-N -1 3 316.296 0.259 20 30 DCEDHM C#CCNCc1cc(=O)[n-]c(CNC(=O)C[C@@H](C)COC)n1 ZINC001691424322 1157671153 /nfs/dbraw/zinc/67/11/53/1157671153.db2.gz ISKKYIMNNJVCPJ-LLVKDONJSA-N -1 3 306.366 0.194 20 30 DCEDHM C=CC(C)(C)C(=O)NCCN(CC)C(=O)c1cnc[n-]c1=O ZINC001721162466 1158145228 /nfs/dbraw/zinc/14/52/28/1158145228.db2.gz IJMIAARGZZNOGX-UHFFFAOYSA-N -1 3 306.366 0.973 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)[C@@H](C)NC(=O)C#CC1CC1 ZINC001571769603 1162930484 /nfs/dbraw/zinc/93/04/84/1162930484.db2.gz AOMYKTHDNUBSMW-ZJUUUORDSA-N -1 3 316.361 0.527 20 30 DCEDHM CC[C@H](CNC(=O)c1cnc[n-]c1=O)NC(=O)C#CC(C)C ZINC001746167896 1158294239 /nfs/dbraw/zinc/29/42/39/1158294239.db2.gz XRGDTMVEHHRXBB-LLVKDONJSA-N -1 3 304.350 0.466 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)N1CC[C@H](N(C)C(=O)[C@H](C)C#N)C1 ZINC001446673298 1159499570 /nfs/dbraw/zinc/49/95/70/1159499570.db2.gz OBJQMDMVXMFAJS-KOLCDFICSA-N -1 3 317.349 0.323 20 30 DCEDHM C=CCO[C@@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ccccc1[O-] ZINC001572312044 1163103010 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C=CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588657082 1166573260 /nfs/dbraw/zinc/57/32/60/1166573260.db2.gz GQBAJLDHEGBXJW-UHFFFAOYSA-N -1 3 302.294 0.116 20 30 DCEDHM C=CCOCC(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588673958 1166579303 /nfs/dbraw/zinc/57/93/03/1166579303.db2.gz FIPXHEWVEZTVNH-JTQLQIEISA-N -1 3 317.353 0.381 20 30 DCEDHM C=CCOCC(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588673958 1166579312 /nfs/dbraw/zinc/57/93/12/1166579312.db2.gz FIPXHEWVEZTVNH-JTQLQIEISA-N -1 3 317.353 0.381 20 30 DCEDHM C=CCOC(=O)CS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588665596 1166579765 /nfs/dbraw/zinc/57/97/65/1166579765.db2.gz NFDURIKZWDMJGM-UHFFFAOYSA-N -1 3 322.346 0.511 20 30 DCEDHM C=CCOC(=O)CS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588665596 1166579768 /nfs/dbraw/zinc/57/97/68/1166579768.db2.gz NFDURIKZWDMJGM-UHFFFAOYSA-N -1 3 322.346 0.511 20 30 DCEDHM CC#CC[C@H](CO)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588738058 1166584397 /nfs/dbraw/zinc/58/43/97/1166584397.db2.gz KFTZVYFUQYPBBW-SNVBAGLBSA-N -1 3 318.312 0.902 20 30 DCEDHM CC#CC[C@H](CO)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588738058 1166584402 /nfs/dbraw/zinc/58/44/02/1166584402.db2.gz KFTZVYFUQYPBBW-SNVBAGLBSA-N -1 3 318.312 0.902 20 30 DCEDHM CC#CC[C@@H](CO)Nc1nc2c(cc1-c1nnn[n-]1)COCC2 ZINC001588738102 1166585775 /nfs/dbraw/zinc/58/57/75/1166585775.db2.gz KRWDLSLWUOVRHA-NSHDSACASA-N -1 3 314.349 0.521 20 30 DCEDHM CC#CC[C@@H](CO)Nc1nc2c(cc1-c1nn[n-]n1)COCC2 ZINC001588738102 1166585779 /nfs/dbraw/zinc/58/57/79/1166585779.db2.gz KRWDLSLWUOVRHA-NSHDSACASA-N -1 3 314.349 0.521 20 30 DCEDHM C[C@@H](C#N)C(=O)NCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588929008 1166619387 /nfs/dbraw/zinc/61/93/87/1166619387.db2.gz CFUXCDYYWQONJX-QMMMGPOBSA-N -1 3 303.301 0.694 20 30 DCEDHM C[C@@H](C#N)C(=O)NCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588929008 1166619393 /nfs/dbraw/zinc/61/93/93/1166619393.db2.gz CFUXCDYYWQONJX-QMMMGPOBSA-N -1 3 303.301 0.694 20 30 DCEDHM C[C@@H](C#N)C(=O)NC/C=C/CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588929018 1166619819 /nfs/dbraw/zinc/61/98/19/1166619819.db2.gz DJTDBFKWUGOVQS-PBKGFPTLSA-N -1 3 312.337 0.506 20 30 DCEDHM C[C@@H](C#N)C(=O)NC/C=C/CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588929018 1166619822 /nfs/dbraw/zinc/61/98/22/1166619822.db2.gz DJTDBFKWUGOVQS-PBKGFPTLSA-N -1 3 312.337 0.506 20 30 DCEDHM C[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)n1cnc(C#N)n1 ZINC001588997633 1166626696 /nfs/dbraw/zinc/62/66/96/1166626696.db2.gz JNXCFPWMMSMQPV-VIFPVBQESA-N -1 3 323.320 0.207 20 30 DCEDHM C[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)n1cnc(C#N)n1 ZINC001588997633 1166626701 /nfs/dbraw/zinc/62/67/01/1166626701.db2.gz JNXCFPWMMSMQPV-VIFPVBQESA-N -1 3 323.320 0.207 20 30 DCEDHM CC(C)CN1CCN(c2cnc(-c3nnn[n-]3)c(C#N)n2)CC1 ZINC001589630574 1166668918 /nfs/dbraw/zinc/66/89/18/1166668918.db2.gz UNGGIVJPYHLFLD-UHFFFAOYSA-N -1 3 313.369 0.306 20 30 DCEDHM C[C@]1(C#N)CN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CCO1 ZINC001590057046 1166762411 /nfs/dbraw/zinc/76/24/11/1166762411.db2.gz XREWAQSWRWZEIL-HNNXBMFYSA-N -1 3 324.348 0.629 20 30 DCEDHM C[C@]1(C#N)CN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CCO1 ZINC001590057046 1166762414 /nfs/dbraw/zinc/76/24/14/1166762414.db2.gz XREWAQSWRWZEIL-HNNXBMFYSA-N -1 3 324.348 0.629 20 30 DCEDHM CC[C@H](C#N)N(CC)S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590367822 1166889242 /nfs/dbraw/zinc/88/92/42/1166889242.db2.gz KEDHORDJRVJEQV-SNVBAGLBSA-N -1 3 321.366 0.574 20 30 DCEDHM CC[C@H](C#N)N(CC)S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590367822 1166889250 /nfs/dbraw/zinc/88/92/50/1166889250.db2.gz KEDHORDJRVJEQV-SNVBAGLBSA-N -1 3 321.366 0.574 20 30 DCEDHM CC[C@@H](CC#N)NC(=O)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001590419644 1166902998 /nfs/dbraw/zinc/90/29/98/1166902998.db2.gz NZAJVYYBORKQRR-ZETCQYMHSA-N -1 3 319.350 0.675 20 30 DCEDHM CC[C@@H](CC#N)NC(=O)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001590419644 1166903001 /nfs/dbraw/zinc/90/30/01/1166903001.db2.gz NZAJVYYBORKQRR-ZETCQYMHSA-N -1 3 319.350 0.675 20 30 DCEDHM CC[C@H](O)CNN=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001590476292 1166919919 /nfs/dbraw/zinc/91/99/19/1166919919.db2.gz FDDGGJIZGLHVLB-NSHDSACASA-N -1 3 301.354 0.663 20 30 DCEDHM CC[C@H](O)CNN=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001590476292 1166919925 /nfs/dbraw/zinc/91/99/25/1166919925.db2.gz FDDGGJIZGLHVLB-NSHDSACASA-N -1 3 301.354 0.663 20 30 DCEDHM CCCNC(=O)CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001590637818 1166958002 /nfs/dbraw/zinc/95/80/02/1166958002.db2.gz GQKAQROOXJBJGT-UHFFFAOYSA-N -1 3 318.366 0.334 20 30 DCEDHM CCCNC(=O)CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001590637818 1166958010 /nfs/dbraw/zinc/95/80/10/1166958010.db2.gz GQKAQROOXJBJGT-UHFFFAOYSA-N -1 3 318.366 0.334 20 30 DCEDHM CCN(CCC#N)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001590691285 1166975343 /nfs/dbraw/zinc/97/53/43/1166975343.db2.gz UCVDDUPMHNQRSQ-UHFFFAOYSA-N -1 3 300.326 0.436 20 30 DCEDHM CCN(CCC#N)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001590691285 1166975345 /nfs/dbraw/zinc/97/53/45/1166975345.db2.gz UCVDDUPMHNQRSQ-UHFFFAOYSA-N -1 3 300.326 0.436 20 30 DCEDHM CCN1C[C@H](C)N(c2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@H]1C ZINC001590729860 1166987808 /nfs/dbraw/zinc/98/78/08/1166987808.db2.gz OAUQPLDGDWJPOR-ZJUUUORDSA-N -1 3 313.369 0.447 20 30 DCEDHM CN(CC#N)C1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001591037857 1167089615 /nfs/dbraw/zinc/08/96/15/1167089615.db2.gz YHQDTRQNQRZGGU-UHFFFAOYSA-N -1 3 314.353 0.255 20 30 DCEDHM CN(CC#N)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001591037857 1167089621 /nfs/dbraw/zinc/08/96/21/1167089621.db2.gz YHQDTRQNQRZGGU-UHFFFAOYSA-N -1 3 314.353 0.255 20 30 DCEDHM COC[C@@H](C#N)OC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001591367726 1167239379 /nfs/dbraw/zinc/23/93/79/1167239379.db2.gz KSSDLUJQADQEGV-SECBINFHSA-N -1 3 303.278 0.571 20 30 DCEDHM COC[C@@H](C#N)OC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001591367726 1167239384 /nfs/dbraw/zinc/23/93/84/1167239384.db2.gz KSSDLUJQADQEGV-SECBINFHSA-N -1 3 303.278 0.571 20 30 DCEDHM COC[C@](C)(C#N)NC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001591367746 1167240547 /nfs/dbraw/zinc/24/05/47/1167240547.db2.gz MNIBRHOSBGZAGJ-ZDUSSCGKSA-N -1 3 301.310 0.229 20 30 DCEDHM COC[C@](C)(C#N)NC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001591367746 1167240552 /nfs/dbraw/zinc/24/05/52/1167240552.db2.gz MNIBRHOSBGZAGJ-ZDUSSCGKSA-N -1 3 301.310 0.229 20 30 DCEDHM COCCN(CC#N)C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591421932 1167279200 /nfs/dbraw/zinc/27/92/00/1167279200.db2.gz LROPOWQIDLXQGW-CYBMUJFWSA-N -1 3 302.338 0.372 20 30 DCEDHM COCCN(CC#N)C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591421932 1167279208 /nfs/dbraw/zinc/27/92/08/1167279208.db2.gz LROPOWQIDLXQGW-CYBMUJFWSA-N -1 3 302.338 0.372 20 30 DCEDHM COCc1cc(-c2nn[n-]n2)ccc1N1CCO[C@@H](C#N)C1 ZINC001591455282 1167294891 /nfs/dbraw/zinc/29/48/91/1167294891.db2.gz VJXRXTNYNGWCGV-LBPRGKRZSA-N -1 3 300.322 0.742 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCO[C@H](C#N)C1 ZINC001591480644 1167306418 /nfs/dbraw/zinc/30/64/18/1167306418.db2.gz KTIRKKFRFRUOCU-SNVBAGLBSA-N -1 3 314.305 0.240 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCO[C@H](C#N)C1 ZINC001591480644 1167306423 /nfs/dbraw/zinc/30/64/23/1167306423.db2.gz KTIRKKFRFRUOCU-SNVBAGLBSA-N -1 3 314.305 0.240 20 30 DCEDHM Cn1c(CO)nnc1Sc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592552964 1167559215 /nfs/dbraw/zinc/55/92/15/1167559215.db2.gz WSHOSUXVQQTXSW-UHFFFAOYSA-N -1 3 314.334 0.510 20 30 DCEDHM Cn1c(CO)nnc1Sc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592552964 1167559220 /nfs/dbraw/zinc/55/92/20/1167559220.db2.gz WSHOSUXVQQTXSW-UHFFFAOYSA-N -1 3 314.334 0.510 20 30 DCEDHM N#C[C@]1(F)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592670961 1167593642 /nfs/dbraw/zinc/59/36/42/1167593642.db2.gz WSPROFIBZRTKBK-GFCCVEGCSA-N -1 3 322.325 0.493 20 30 DCEDHM N#C[C@]1(F)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592670961 1167593646 /nfs/dbraw/zinc/59/36/46/1167593646.db2.gz WSPROFIBZRTKBK-GFCCVEGCSA-N -1 3 322.325 0.493 20 30 DCEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cc[nH]n1 ZINC001592670393 1167595165 /nfs/dbraw/zinc/59/51/65/1167595165.db2.gz ZFCQRBUTSJWBCX-LLVKDONJSA-N -1 3 308.305 0.911 20 30 DCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cc[nH]n1 ZINC001592670393 1167595166 /nfs/dbraw/zinc/59/51/66/1167595166.db2.gz ZFCQRBUTSJWBCX-LLVKDONJSA-N -1 3 308.305 0.911 20 30 DCEDHM N#CCC1(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592674353 1167595528 /nfs/dbraw/zinc/59/55/28/1167595528.db2.gz DBOPDZLSFMGAPS-GFCCVEGCSA-N -1 3 312.333 0.710 20 30 DCEDHM N#CCC1(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592674353 1167595534 /nfs/dbraw/zinc/59/55/34/1167595534.db2.gz DBOPDZLSFMGAPS-GFCCVEGCSA-N -1 3 312.333 0.710 20 30 DCEDHM N#CCCCNS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001592676243 1167596059 /nfs/dbraw/zinc/59/60/59/1167596059.db2.gz IEINLFSLLUTOKC-UHFFFAOYSA-N -1 3 310.314 0.588 20 30 DCEDHM N#CCCCNS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001592676243 1167596064 /nfs/dbraw/zinc/59/60/64/1167596064.db2.gz IEINLFSLLUTOKC-UHFFFAOYSA-N -1 3 310.314 0.588 20 30 DCEDHM N#CC[C@]1(O)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001592674495 1167597541 /nfs/dbraw/zinc/59/75/41/1167597541.db2.gz DHWZEAVHXJUDHV-ZDUSSCGKSA-N -1 3 314.309 0.144 20 30 DCEDHM N#CC[C@]1(O)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001592674495 1167597547 /nfs/dbraw/zinc/59/75/47/1167597547.db2.gz DHWZEAVHXJUDHV-ZDUSSCGKSA-N -1 3 314.309 0.144 20 30 DCEDHM N#CCSCC(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001592679190 1167598753 /nfs/dbraw/zinc/59/87/53/1167598753.db2.gz INQURGJVKWWYAH-UHFFFAOYSA-N -1 3 300.347 0.966 20 30 DCEDHM N#CCSCC(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001592679190 1167598755 /nfs/dbraw/zinc/59/87/55/1167598755.db2.gz INQURGJVKWWYAH-UHFFFAOYSA-N -1 3 300.347 0.966 20 30 DCEDHM N#Cc1ccc(=O)n(CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592690479 1167602548 /nfs/dbraw/zinc/60/25/48/1167602548.db2.gz YTRJXVONHJTVHO-UHFFFAOYSA-N -1 3 306.285 0.783 20 30 DCEDHM N#Cc1ccc(=O)n(CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592690479 1167602551 /nfs/dbraw/zinc/60/25/51/1167602551.db2.gz YTRJXVONHJTVHO-UHFFFAOYSA-N -1 3 306.285 0.783 20 30 DCEDHM N#C[C@H]1CNCC12CC(C(=O)N1CCC[C@@H]3C[C@@]31C(=O)[O-])C2 ZINC001601063785 1168580012 /nfs/dbraw/zinc/58/00/12/1168580012.db2.gz ZEWQWHKTQKLWPL-JKLMTHBASA-N -1 3 303.362 0.591 20 30 DCEDHM N#Cc1sccc1N1CCN(C(=O)[C@@H](N)CCC(=O)[O-])CC1 ZINC001601135736 1168594650 /nfs/dbraw/zinc/59/46/50/1168594650.db2.gz LMUGWFHCVUCIKP-JTQLQIEISA-N -1 3 322.390 0.460 20 30 DCEDHM C#C[C@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001602696689 1169162589 /nfs/dbraw/zinc/16/25/89/1169162589.db2.gz MCCLBDAKXSYFJO-JTQLQIEISA-N -1 3 301.281 0.480 20 30 DCEDHM C#C[C@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001602696689 1169162594 /nfs/dbraw/zinc/16/25/94/1169162594.db2.gz MCCLBDAKXSYFJO-JTQLQIEISA-N -1 3 301.281 0.480 20 30 DCEDHM C#CC[C@H](CO)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC001602696688 1169162974 /nfs/dbraw/zinc/16/29/74/1169162974.db2.gz DIXMDPZCMWUPIT-LLVKDONJSA-N -1 3 318.312 0.189 20 30 DCEDHM C#CC[C@H](CO)NC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC001602696688 1169162976 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C#CCN1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)cn2C)C1 ZINC001588352408 1166543356 /nfs/dbraw/zinc/54/33/56/1166543356.db2.gz JKNKBXRBSZYNDH-GFCCVEGCSA-N -1 3 313.365 0.033 20 30 DCEDHM C#CCNC(=O)CSc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC001588353683 1166543847 /nfs/dbraw/zinc/54/38/47/1166543847.db2.gz BLIFIHYCMHCHEX-UHFFFAOYSA-N -1 3 303.351 0.115 20 30 DCEDHM C#CCN1CCN(c2cccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC001588353395 1166544014 /nfs/dbraw/zinc/54/40/14/1166544014.db2.gz QEMVWMZASUMMNZ-UHFFFAOYSA-N -1 3 313.321 0.530 20 30 DCEDHM C#CCNC(=O)CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588354782 1166546903 /nfs/dbraw/zinc/54/69/03/1166546903.db2.gz ZCXRIKINQPZNHV-UHFFFAOYSA-N -1 3 310.361 0.581 20 30 DCEDHM C=C(C)C[C@H](C)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC001588405704 1166551474 /nfs/dbraw/zinc/55/14/74/1166551474.db2.gz PBADKLFUZKMIHT-VIFPVBQESA-N -1 3 305.342 0.791 20 30 DCEDHM C=C(C)C[C@H](C)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC001588405704 1166551477 /nfs/dbraw/zinc/55/14/77/1166551477.db2.gz PBADKLFUZKMIHT-VIFPVBQESA-N -1 3 305.342 0.791 20 30 DCEDHM C=C(C)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)[nH]1)C(=O)OC ZINC001588404759 1166552006 /nfs/dbraw/zinc/55/20/06/1166552006.db2.gz KCAUMTSYAYSLOO-JTQLQIEISA-N -1 3 304.310 0.432 20 30 DCEDHM C=C(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)[nH]1)C(=O)OC ZINC001588404759 1166552016 /nfs/dbraw/zinc/55/20/16/1166552016.db2.gz KCAUMTSYAYSLOO-JTQLQIEISA-N -1 3 304.310 0.432 20 30 DCEDHM C=CC1CCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CC1 ZINC001588530889 1166560469 /nfs/dbraw/zinc/56/04/69/1166560469.db2.gz WBWUWGPZWHYRKI-UHFFFAOYSA-N -1 3 320.378 0.848 20 30 DCEDHM C=CC1CCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CC1 ZINC001588530889 1166560478 /nfs/dbraw/zinc/56/04/78/1166560478.db2.gz WBWUWGPZWHYRKI-UHFFFAOYSA-N -1 3 320.378 0.848 20 30 DCEDHM C=CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)c(C)n1)C(=O)OC ZINC001588548473 1166563163 /nfs/dbraw/zinc/56/31/63/1166563163.db2.gz DQJBBEWGINZMHR-LLVKDONJSA-N -1 3 317.305 0.845 20 30 DCEDHM C=CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)c(C)n1)C(=O)OC ZINC001588548473 1166563166 /nfs/dbraw/zinc/56/31/66/1166563166.db2.gz DQJBBEWGINZMHR-LLVKDONJSA-N -1 3 317.305 0.845 20 30 DCEDHM C=CC[C@H](CO)NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588546042 1166563266 /nfs/dbraw/zinc/56/32/66/1166563266.db2.gz VSRFSGUSMIETKL-CYBMUJFWSA-N -1 3 313.361 0.952 20 30 DCEDHM C=CC[C@H](CO)NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588546042 1166563273 /nfs/dbraw/zinc/56/32/73/1166563273.db2.gz VSRFSGUSMIETKL-CYBMUJFWSA-N -1 3 313.361 0.952 20 30 DCEDHM C=CCC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)OCC ZINC001588579584 1166565842 /nfs/dbraw/zinc/56/58/42/1166565842.db2.gz OVZZIWROUJGCCV-SNVBAGLBSA-N -1 3 318.337 0.823 20 30 DCEDHM C=CCC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)OCC ZINC001588579584 1166565849 /nfs/dbraw/zinc/56/58/49/1166565849.db2.gz OVZZIWROUJGCCV-SNVBAGLBSA-N -1 3 318.337 0.823 20 30 DCEDHM C=CCN(C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001588625465 1166571712 /nfs/dbraw/zinc/57/17/12/1166571712.db2.gz KVJMCDGMPBRYQA-UHFFFAOYSA-N -1 3 312.333 0.982 20 30 DCEDHM C=CCN(C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001588625465 1166571717 /nfs/dbraw/zinc/57/17/17/1166571717.db2.gz KVJMCDGMPBRYQA-UHFFFAOYSA-N -1 3 312.333 0.982 20 30 DCEDHM C=CCN(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588626141 1166572021 /nfs/dbraw/zinc/57/20/21/1166572021.db2.gz DKNUMYYJXJLWJQ-UHFFFAOYSA-N -1 3 304.285 0.589 20 30 DCEDHM C=CCN(C)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588626141 1166572027 /nfs/dbraw/zinc/57/20/27/1166572027.db2.gz DKNUMYYJXJLWJQ-UHFFFAOYSA-N -1 3 304.285 0.589 20 30 DCEDHM C=CCNC(=O)[C@H](C#N)C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588657648 1166573696 /nfs/dbraw/zinc/57/36/96/1166573696.db2.gz SAPQHDVQRXCDBT-CYBMUJFWSA-N -1 3 324.344 0.810 20 30 DCEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1cscc1-c1nnn[n-]1 ZINC001588660241 1166575907 /nfs/dbraw/zinc/57/59/07/1166575907.db2.gz XINCLCVFMVAMOI-SSDOTTSWSA-N -1 3 307.335 0.776 20 30 DCEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1cscc1-c1nn[n-]n1 ZINC001588660241 1166575913 /nfs/dbraw/zinc/57/59/13/1166575913.db2.gz XINCLCVFMVAMOI-SSDOTTSWSA-N -1 3 307.335 0.776 20 30 DCEDHM C=CCNC(=O)Cc1noc(-c2cc(-c3nnn[n-]3)cs2)n1 ZINC001588658191 1166576489 /nfs/dbraw/zinc/57/64/89/1166576489.db2.gz BFQLGEQPQZAPBR-UHFFFAOYSA-N -1 3 317.334 0.823 20 30 DCEDHM C=CCNC(=O)Cc1noc(-c2cc(-c3nn[n-]n3)cs2)n1 ZINC001588658191 1166576491 /nfs/dbraw/zinc/57/64/91/1166576491.db2.gz BFQLGEQPQZAPBR-UHFFFAOYSA-N -1 3 317.334 0.823 20 30 DCEDHM C=CCO[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001588665164 1166579438 /nfs/dbraw/zinc/57/94/38/1166579438.db2.gz GTCVFBCJIIKDIN-JTQLQIEISA-N -1 3 317.309 0.951 20 30 DCEDHM C=CCO[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001588665164 1166579447 /nfs/dbraw/zinc/57/94/47/1166579447.db2.gz GTCVFBCJIIKDIN-JTQLQIEISA-N -1 3 317.309 0.951 20 30 DCEDHM C=CCn1cc(CNCc2cc(-c3nnn[n-]3)cs2)nn1 ZINC001588716370 1166581047 /nfs/dbraw/zinc/58/10/47/1166581047.db2.gz DIIXACLGYUMQBS-UHFFFAOYSA-N -1 3 302.367 0.996 20 30 DCEDHM C=CCn1cc(CNCc2cc(-c3nn[n-]n3)cs2)nn1 ZINC001588716370 1166581054 /nfs/dbraw/zinc/58/10/54/1166581054.db2.gz DIIXACLGYUMQBS-UHFFFAOYSA-N -1 3 302.367 0.996 20 30 DCEDHM CC#CC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)[O-] ZINC001588738465 1166584420 /nfs/dbraw/zinc/58/44/20/1166584420.db2.gz OUQCGOCGOXHMDD-LBPRGKRZSA-N -1 3 303.297 0.962 20 30 DCEDHM CC#CCN(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588747710 1166587309 /nfs/dbraw/zinc/58/73/09/1166587309.db2.gz RWNFHCPWAKZBPF-CQSZACIVSA-N -1 3 310.361 0.927 20 30 DCEDHM CC#CCN(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588747710 1166587314 /nfs/dbraw/zinc/58/73/14/1166587314.db2.gz RWNFHCPWAKZBPF-CQSZACIVSA-N -1 3 310.361 0.927 20 30 DCEDHM C[C@H](C#N)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588928520 1166618530 /nfs/dbraw/zinc/61/85/30/1166618530.db2.gz DJUXUHWUJDPZBG-MWLCHTKSSA-N -1 3 312.337 0.434 20 30 DCEDHM C[C@H](C#N)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588928520 1166618536 /nfs/dbraw/zinc/61/85/36/1166618536.db2.gz DJUXUHWUJDPZBG-MWLCHTKSSA-N -1 3 312.337 0.434 20 30 DCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588930921 1166619264 /nfs/dbraw/zinc/61/92/64/1166619264.db2.gz NIKYFSOCGKSRCO-JTQLQIEISA-N -1 3 320.378 0.788 20 30 DCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588930921 1166619268 /nfs/dbraw/zinc/61/92/68/1166619268.db2.gz NIKYFSOCGKSRCO-JTQLQIEISA-N -1 3 320.378 0.788 20 30 DCEDHM C[C@H](C#N)N(C1CC1)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001588934842 1166619989 /nfs/dbraw/zinc/61/99/89/1166619989.db2.gz XHKQKEGPRLPNNY-SECBINFHSA-N -1 3 318.362 0.932 20 30 DCEDHM C[C@H](C#N)N(C1CC1)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001588934842 1166619993 /nfs/dbraw/zinc/61/99/93/1166619993.db2.gz XHKQKEGPRLPNNY-SECBINFHSA-N -1 3 318.362 0.932 20 30 DCEDHM CC(C)[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589762310 1166683722 /nfs/dbraw/zinc/68/37/22/1166683722.db2.gz UZVRONLYMQPNDI-LLVKDONJSA-N -1 3 324.341 0.832 20 30 DCEDHM CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@H]1CCN(CC#N)C1 ZINC001590673094 1166966308 /nfs/dbraw/zinc/96/63/08/1166966308.db2.gz LESPOTIEGTYIAV-NSHDSACASA-N -1 3 314.353 0.255 20 30 DCEDHM CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@H]1CCN(CC#N)C1 ZINC001590673094 1166966316 /nfs/dbraw/zinc/96/63/16/1166966316.db2.gz LESPOTIEGTYIAV-NSHDSACASA-N -1 3 314.353 0.255 20 30 DCEDHM CCN1C[C@H](C)N(c2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@@H]1C ZINC001590729858 1166987694 /nfs/dbraw/zinc/98/76/94/1166987694.db2.gz OAUQPLDGDWJPOR-UWVGGRQHSA-N -1 3 313.369 0.447 20 30 DCEDHM CCn1ncc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)n1 ZINC001590968484 1167061305 /nfs/dbraw/zinc/06/13/05/1167061305.db2.gz PXMYELRGQXBOBN-UHFFFAOYSA-N -1 3 309.293 0.602 20 30 DCEDHM CCn1ncc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)n1 ZINC001590968484 1167061311 /nfs/dbraw/zinc/06/13/11/1167061311.db2.gz PXMYELRGQXBOBN-UHFFFAOYSA-N -1 3 309.293 0.602 20 30 DCEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1Cn1cncc(C#N)c1=O ZINC001591850186 1167394850 /nfs/dbraw/zinc/39/48/50/1167394850.db2.gz DSYSWLKYUXRETO-UHFFFAOYSA-N -1 3 307.317 0.960 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1Cn1cncc(C#N)c1=O ZINC001591850186 1167394856 /nfs/dbraw/zinc/39/48/56/1167394856.db2.gz DSYSWLKYUXRETO-UHFFFAOYSA-N -1 3 307.317 0.960 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)N1CCCC[C@@H]1C ZINC001592341445 1167494850 /nfs/dbraw/zinc/49/48/50/1167494850.db2.gz YOHXPJXYUJWRDP-VIFPVBQESA-N -1 3 314.353 0.644 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)N1CCCC[C@@H]1C ZINC001592341445 1167494853 /nfs/dbraw/zinc/49/48/53/1167494853.db2.gz YOHXPJXYUJWRDP-VIFPVBQESA-N -1 3 314.353 0.644 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)C(=O)OC(C)(C)C ZINC001592341012 1167495274 /nfs/dbraw/zinc/49/52/74/1167495274.db2.gz NTKGUEYNNKDRNG-UHFFFAOYSA-N -1 3 317.309 0.154 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)C(=O)OC(C)(C)C ZINC001592341012 1167495279 /nfs/dbraw/zinc/49/52/79/1167495279.db2.gz NTKGUEYNNKDRNG-UHFFFAOYSA-N -1 3 317.309 0.154 20 30 DCEDHM Cc1nc(C(=O)N2CCO[C@@](C)(C#N)C2)ccc1-c1nnn[n-]1 ZINC001592345862 1167497931 /nfs/dbraw/zinc/49/79/31/1167497931.db2.gz FIJNATQVYWQMGM-AWEZNQCLSA-N -1 3 313.321 0.325 20 30 DCEDHM Cc1nc(C(=O)N2CCO[C@@](C)(C#N)C2)ccc1-c1nn[n-]n1 ZINC001592345862 1167497936 /nfs/dbraw/zinc/49/79/36/1167497936.db2.gz FIJNATQVYWQMGM-AWEZNQCLSA-N -1 3 313.321 0.325 20 30 DCEDHM Cc1nc(N2C[C@H](C)N(CC#N)[C@@H](C)C2)ccc1-c1nnn[n-]1 ZINC001592367418 1167507941 /nfs/dbraw/zinc/50/79/41/1167507941.db2.gz PACKMPSCGMQTEM-QWRGUYRKSA-N -1 3 312.381 0.993 20 30 DCEDHM Cc1nc(N2C[C@H](C)N(CC#N)[C@@H](C)C2)ccc1-c1nn[n-]n1 ZINC001592367418 1167507946 /nfs/dbraw/zinc/50/79/46/1167507946.db2.gz PACKMPSCGMQTEM-QWRGUYRKSA-N -1 3 312.381 0.993 20 30 DCEDHM N#C[C@@]1(F)CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592670962 1167594040 /nfs/dbraw/zinc/59/40/40/1167594040.db2.gz WSPROFIBZRTKBK-LBPRGKRZSA-N -1 3 322.325 0.493 20 30 DCEDHM N#C[C@@]1(F)CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592670962 1167594053 /nfs/dbraw/zinc/59/40/53/1167594053.db2.gz WSPROFIBZRTKBK-LBPRGKRZSA-N -1 3 322.325 0.493 20 30 DCEDHM N#C[C@H]1CN(Cc2cc(-c3nnn[n-]3)cnc2Cl)CCO1 ZINC001592671449 1167595001 /nfs/dbraw/zinc/59/50/01/1167595001.db2.gz HIIOPQUJGXRPHU-JTQLQIEISA-N -1 3 305.729 0.639 20 30 DCEDHM N#C[C@H]1CN(Cc2cc(-c3nn[n-]n3)cnc2Cl)CCO1 ZINC001592671449 1167595004 /nfs/dbraw/zinc/59/50/04/1167595004.db2.gz HIIOPQUJGXRPHU-JTQLQIEISA-N -1 3 305.729 0.639 20 30 DCEDHM N#CC1(NC(=O)Cn2cc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001592670678 1167595153 /nfs/dbraw/zinc/59/51/53/1167595153.db2.gz KRMUEGRYZNOLSE-UHFFFAOYSA-N -1 3 300.326 0.406 20 30 DCEDHM N#CC1(NC(=O)Cn2cc(-c3nn[n-]n3)cn2)CCCCC1 ZINC001592670678 1167595157 /nfs/dbraw/zinc/59/51/57/1167595157.db2.gz KRMUEGRYZNOLSE-UHFFFAOYSA-N -1 3 300.326 0.406 20 30 DCEDHM N#CC[C@H](C(=O)n1ncc(-c2nnn[n-]2)c1N)c1ccccc1 ZINC001592674528 1167595689 /nfs/dbraw/zinc/59/56/89/1167595689.db2.gz FJTPTWVKELVEQY-JTQLQIEISA-N -1 3 308.305 0.983 20 30 DCEDHM N#CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)ccn1)C(F)(F)F ZINC001592675995 1167596117 /nfs/dbraw/zinc/59/61/17/1167596117.db2.gz YYHKPWVMAZPHOI-QMMMGPOBSA-N -1 3 311.227 0.836 20 30 DCEDHM N#CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)ccn1)C(F)(F)F ZINC001592675995 1167596121 /nfs/dbraw/zinc/59/61/21/1167596121.db2.gz YYHKPWVMAZPHOI-QMMMGPOBSA-N -1 3 311.227 0.836 20 30 DCEDHM N#CCCc1cn(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001592677283 1167596836 /nfs/dbraw/zinc/59/68/36/1167596836.db2.gz IAXSUSMSCCSDEG-ZDUSSCGKSA-N -1 3 310.321 0.648 20 30 DCEDHM N#CCCc1cn(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001592677283 1167596838 /nfs/dbraw/zinc/59/68/38/1167596838.db2.gz IAXSUSMSCCSDEG-ZDUSSCGKSA-N -1 3 310.321 0.648 20 30 DCEDHM N#CCN(C1CC1)S(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 ZINC001592677277 1167597341 /nfs/dbraw/zinc/59/73/41/1167597341.db2.gz HWHBSSAUCRDSOJ-UHFFFAOYSA-N -1 3 324.391 0.746 20 30 DCEDHM N#CCC1(CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001592675444 1167597383 /nfs/dbraw/zinc/59/73/83/1167597383.db2.gz PCVASPMUUNLBJC-UHFFFAOYSA-N -1 3 318.362 0.839 20 30 DCEDHM N#CCC1(CNS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001592675444 1167597389 /nfs/dbraw/zinc/59/73/89/1167597389.db2.gz PCVASPMUUNLBJC-UHFFFAOYSA-N -1 3 318.362 0.839 20 30 DCEDHM N#CCNC[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001592678922 1167598437 /nfs/dbraw/zinc/59/84/37/1167598437.db2.gz YHUGUGHAPBNMDE-GXSJLCMTSA-N -1 3 314.353 0.206 20 30 DCEDHM N#CCNC[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001592678922 1167598443 /nfs/dbraw/zinc/59/84/43/1167598443.db2.gz YHUGUGHAPBNMDE-GXSJLCMTSA-N -1 3 314.353 0.206 20 30 DCEDHM N#CCNC1CCC(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001592678915 1167600020 /nfs/dbraw/zinc/60/00/20/1167600020.db2.gz XUMJEOCMZIOBGQ-UHFFFAOYSA-N -1 3 314.353 0.349 20 30 DCEDHM N#CCNC1CCC(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001592678915 1167600021 /nfs/dbraw/zinc/60/00/21/1167600021.db2.gz XUMJEOCMZIOBGQ-UHFFFAOYSA-N -1 3 314.353 0.349 20 30 DCEDHM N#Cc1cc(C(=O)Nc2ccncc2-c2nnn[n-]2)ccc1F ZINC001592687894 1167602044 /nfs/dbraw/zinc/60/20/44/1167602044.db2.gz NQLMTXXDLMJGHV-UHFFFAOYSA-N -1 3 309.264 0.947 20 30 DCEDHM N#Cc1cc(C(=O)Nc2ccncc2-c2nn[n-]n2)ccc1F ZINC001592687894 1167602048 /nfs/dbraw/zinc/60/20/48/1167602048.db2.gz NQLMTXXDLMJGHV-UHFFFAOYSA-N -1 3 309.264 0.947 20 30 DCEDHM N#Cc1nc(N)n(Cc2csc(Cl)n2)c1-c1nnn[n-]1 ZINC001592704876 1167607348 /nfs/dbraw/zinc/60/73/48/1167607348.db2.gz SHHMAJNKQBUWDH-UHFFFAOYSA-N -1 3 307.730 0.675 20 30 DCEDHM N#Cc1ccc(OC[C@H](O)CN2CCC(O)(C(=O)[O-])CC2)cc1 ZINC001601109978 1168586462 /nfs/dbraw/zinc/58/64/62/1168586462.db2.gz FOQCYHKQWQOPCH-CYBMUJFWSA-N -1 3 320.345 0.209 20 30 DCEDHM C#C[C@H](NC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1)C1CCOCC1 ZINC001602674794 1169157399 /nfs/dbraw/zinc/15/73/99/1169157399.db2.gz VSFXVSOKCRSFHA-KBPBESRZSA-N -1 3 323.393 0.073 20 30 DCEDHM C#CCCNC(=O)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001602712813 1169168397 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C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC000960849237 688471979 /nfs/dbraw/zinc/47/19/79/688471979.db2.gz BRIPJLAFRDQERE-HALDLXJZSA-N -1 3 316.405 0.055 20 30 DCEDHM C#CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000960890192 688478002 /nfs/dbraw/zinc/47/80/02/688478002.db2.gz HATFRVIXEHJYSJ-LAQFHYBYSA-N -1 3 307.353 0.821 20 30 DCEDHM N#CCN1CCC[C@H](NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001007565178 690705427 /nfs/dbraw/zinc/70/54/27/690705427.db2.gz ZDYCUWGDVOTSBA-NSHDSACASA-N -1 3 301.350 0.777 20 30 DCEDHM C[C@H]1C[C@H](NC(=O)c2cn[n-]n2)CN1C(=O)c1cc(C#N)c[nH]1 ZINC001012441996 691788068 /nfs/dbraw/zinc/78/80/68/691788068.db2.gz NKVZTLRLKNWQPT-WPRPVWTQSA-N -1 3 313.321 0.037 20 30 DCEDHM CC#CCN1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)nc[n-]c1=O ZINC001017836438 692994301 /nfs/dbraw/zinc/99/43/01/692994301.db2.gz GHVZYYHVLLJZDZ-BETUJISGSA-N -1 3 300.362 0.803 20 30 DCEDHM C[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)CN1C(=O)C#CC1CC1 ZINC001018248643 693069020 /nfs/dbraw/zinc/06/90/20/693069020.db2.gz DBDQNMLANQTPER-CMPLNLGQSA-N -1 3 301.350 0.327 20 30 DCEDHM C=C[C@@](C)(O)CC(=O)NCC[C@H](C)NC(=O)c1cnc[n-]c1=O ZINC001076308851 695012893 /nfs/dbraw/zinc/01/28/93/695012893.db2.gz QTNCZYHERPIFIY-ZUZCIYMTSA-N -1 3 322.365 0.134 20 30 DCEDHM C=CCn1cc(C(=O)Nc2[n-]nc3cc(C)n(C)c(=O)c32)nn1 ZINC001570573852 1162548735 /nfs/dbraw/zinc/54/87/35/1162548735.db2.gz OXUPXOXZZIUVFY-UHFFFAOYSA-N -1 3 313.321 0.600 20 30 DCEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)NCc1nc(=O)n(C)[n-]1 ZINC001570625019 1162561266 /nfs/dbraw/zinc/56/12/66/1162561266.db2.gz RDKKDPCGKSOZMH-QWRGUYRKSA-N -1 3 309.414 0.694 20 30 DCEDHM C=C(C)CN(C)[C@H](C)CNC(=O)Cn1[n-]cc2c(=O)ncnc1-2 ZINC001570743356 1162607908 /nfs/dbraw/zinc/60/79/08/1162607908.db2.gz BMWDBJGJOKIODV-LLVKDONJSA-N -1 3 318.381 0.084 20 30 DCEDHM C[C@H](CCNC(=O)C#CC1CC1)NC(=O)c1cnc[n-]c1=O ZINC001744914285 1157695648 /nfs/dbraw/zinc/69/56/48/1157695648.db2.gz DJRCFGNGGVCMJS-SNVBAGLBSA-N -1 3 302.334 0.220 20 30 DCEDHM C#CCO[C@@H](C)C(=O)NCC1(NC(=O)c2cn[n-]n2)CCCC1 ZINC001746236285 1158308251 /nfs/dbraw/zinc/30/82/51/1158308251.db2.gz ZFXPHMHMEWWQJX-NSHDSACASA-N -1 3 319.365 0.002 20 30 DCEDHM C=CCNC(=O)CN1CC[C@@H](NC(=O)c2ccccc2[O-])C1 ZINC001566656096 1160115949 /nfs/dbraw/zinc/11/59/49/1160115949.db2.gz YTRLCXUUPPCZQR-GFCCVEGCSA-N -1 3 303.362 0.499 20 30 DCEDHM CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CCN([O-])C2=O)CC1 ZINC001569560669 1161149123 /nfs/dbraw/zinc/14/91/23/1161149123.db2.gz KZRHFQALQKFKOF-SECBINFHSA-N -1 3 313.354 0.540 20 30 DCEDHM CC(C)(C)C#CC(=O)N1CC[C@](C)(CNCc2n[nH]c(=O)[n-]2)C1 ZINC001569667029 1161188092 /nfs/dbraw/zinc/18/80/92/1161188092.db2.gz CXXQTNNAZSUYNV-MRXNPFEDSA-N -1 3 319.409 0.888 20 30 DCEDHM C=CCNC(=O)Cn1nnc(-c2ccccc2)c1-c1nnn[n-]1 ZINC001573341160 1163416211 /nfs/dbraw/zinc/41/62/11/1163416211.db2.gz GVMYXGPVPFDYBE-UHFFFAOYSA-N -1 3 310.321 0.427 20 30 DCEDHM CC[C@@H]1CN(CC)CCN1c1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001577178906 1164622749 /nfs/dbraw/zinc/62/27/49/1164622749.db2.gz XXGDPVLWMXTTQE-SNVBAGLBSA-N -1 3 313.369 0.449 20 30 DCEDHM N#Cc1ccccc1C(F)(F)C(=O)[N-][C@@H](CO)c1cn[nH]n1 ZINC001577717471 1164773235 /nfs/dbraw/zinc/77/32/35/1164773235.db2.gz DVVJLRBTCNMTBE-NSHDSACASA-N -1 3 307.260 0.618 20 30 DCEDHM COCC[C@](C)(C#N)NC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001579770526 1165392136 /nfs/dbraw/zinc/39/21/36/1165392136.db2.gz CKMCPVRRIMSATD-CQSZACIVSA-N -1 3 315.337 0.619 20 30 DCEDHM COCC[C@](C)(C#N)NC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001579770526 1165392146 /nfs/dbraw/zinc/39/21/46/1165392146.db2.gz CKMCPVRRIMSATD-CQSZACIVSA-N -1 3 315.337 0.619 20 30 DCEDHM Cc1ccc(-c2nnn[n-]2)c(NCCNC(=O)C#CC2CC2)n1 ZINC001581125725 1165787931 /nfs/dbraw/zinc/78/79/31/1165787931.db2.gz YPRRBLVPERWUPT-UHFFFAOYSA-N -1 3 311.349 0.512 20 30 DCEDHM Cc1ccc(-c2nn[n-]n2)c(NCCNC(=O)C#CC2CC2)n1 ZINC001581125725 1165787938 /nfs/dbraw/zinc/78/79/38/1165787938.db2.gz YPRRBLVPERWUPT-UHFFFAOYSA-N -1 3 311.349 0.512 20 30 DCEDHM Cc1nn(C)cc1CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001581601117 1165850816 /nfs/dbraw/zinc/85/08/16/1165850816.db2.gz PJRWBIRQKRINRD-UHFFFAOYSA-N -1 3 322.332 0.962 20 30 DCEDHM Cc1nn(C)cc1CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001581601117 1165850824 /nfs/dbraw/zinc/85/08/24/1165850824.db2.gz PJRWBIRQKRINRD-UHFFFAOYSA-N -1 3 322.332 0.962 20 30 DCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccnnc1 ZINC001581856737 1165889594 /nfs/dbraw/zinc/88/95/94/1165889594.db2.gz BBQJLITXWHTPBW-GFCCVEGCSA-N -1 3 320.316 0.978 20 30 DCEDHM N#Cc1ncn(CC(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)n1 ZINC001581885988 1165905013 /nfs/dbraw/zinc/90/50/13/1165905013.db2.gz UJHLRHFZRURUBX-UHFFFAOYSA-N -1 3 313.256 0.108 20 30 DCEDHM N#Cc1ncn(CC(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)n1 ZINC001581885988 1165905016 /nfs/dbraw/zinc/90/50/16/1165905016.db2.gz UJHLRHFZRURUBX-UHFFFAOYSA-N -1 3 313.256 0.108 20 30 DCEDHM C=C[C@](C)(O)CC(=O)NCC1(NC(=O)c2cn[n-]n2)CCCC1 ZINC001582598278 1166051338 /nfs/dbraw/zinc/05/13/38/1166051338.db2.gz ZNWJKOPSVYCQBN-AWEZNQCLSA-N -1 3 321.381 0.291 20 30 DCEDHM CC(C)C#CC(=O)NC[C@](C)(NC(=O)c1cn[n-]n1)C1CC1 ZINC001582646025 1166059747 /nfs/dbraw/zinc/05/97/47/1166059747.db2.gz KQPYGNMSZHOXHK-HNNXBMFYSA-N -1 3 303.366 0.479 20 30 DCEDHM N#Cc1ccc(C[C@@H](C#N)C(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001585936826 1166470758 /nfs/dbraw/zinc/47/07/58/1166470758.db2.gz BLZKLDXLQZJSDN-GJZGRUSLSA-N -1 3 323.356 0.869 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588330708 1166527102 /nfs/dbraw/zinc/52/71/02/1166527102.db2.gz CXQXWWIHFYGJGJ-VIFPVBQESA-N -1 3 301.310 0.076 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588330708 1166527107 /nfs/dbraw/zinc/52/71/07/1166527107.db2.gz CXQXWWIHFYGJGJ-VIFPVBQESA-N -1 3 301.310 0.076 20 30 DCEDHM C#CC1(O)CCN(C(=O)c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001588333420 1166530146 /nfs/dbraw/zinc/53/01/46/1166530146.db2.gz PSZNIMHYIUBXAF-UHFFFAOYSA-N -1 3 312.333 0.170 20 30 DCEDHM C#CC1(O)CCN(C(=O)c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001588333420 1166530155 /nfs/dbraw/zinc/53/01/55/1166530155.db2.gz PSZNIMHYIUBXAF-UHFFFAOYSA-N -1 3 312.333 0.170 20 30 DCEDHM C#CC[C@@H](COC)NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588334529 1166531459 /nfs/dbraw/zinc/53/14/59/1166531459.db2.gz ZJSZHEVTHXFCPR-JTQLQIEISA-N -1 3 300.322 0.338 20 30 DCEDHM C#CC[C@@H](COC)NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588334529 1166531462 /nfs/dbraw/zinc/53/14/62/1166531462.db2.gz ZJSZHEVTHXFCPR-JTQLQIEISA-N -1 3 300.322 0.338 20 30 DCEDHM C#CCN(CC)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001588350289 1166539695 /nfs/dbraw/zinc/53/96/95/1166539695.db2.gz NAQCOBDNGLTUIZ-UHFFFAOYSA-N -1 3 312.333 0.595 20 30 DCEDHM C#CCN(CC)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001588350289 1166539702 /nfs/dbraw/zinc/53/97/02/1166539702.db2.gz NAQCOBDNGLTUIZ-UHFFFAOYSA-N -1 3 312.333 0.595 20 30 DCEDHM C#CCN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001588349374 1166541262 /nfs/dbraw/zinc/54/12/62/1166541262.db2.gz BQFLEWVFPMEBIX-UHFFFAOYSA-N -1 3 304.335 0.048 20 30 DCEDHM C#CCN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001588349374 1166541266 /nfs/dbraw/zinc/54/12/66/1166541266.db2.gz BQFLEWVFPMEBIX-UHFFFAOYSA-N -1 3 304.335 0.048 20 30 DCEDHM C#CCN(CC)c1nnc(-c2cnc(C)c(-c3nnn[n-]3)c2)n1C ZINC001588350687 1166541275 /nfs/dbraw/zinc/54/12/75/1166541275.db2.gz LGBNKFPEJYQOPU-UHFFFAOYSA-N -1 3 323.364 0.825 20 30 DCEDHM C#CCN(CC)c1nnc(-c2cnc(C)c(-c3nn[n-]n3)c2)n1C ZINC001588350687 1166541278 /nfs/dbraw/zinc/54/12/78/1166541278.db2.gz LGBNKFPEJYQOPU-UHFFFAOYSA-N -1 3 323.364 0.825 20 30 DCEDHM C=C(C)CN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001588429449 1166555227 /nfs/dbraw/zinc/55/52/27/1166555227.db2.gz BMWXDGQQUNLFBG-UHFFFAOYSA-N -1 3 301.354 0.529 20 30 DCEDHM C=C(C)CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001588429449 1166555232 /nfs/dbraw/zinc/55/52/32/1166555232.db2.gz BMWXDGQQUNLFBG-UHFFFAOYSA-N -1 3 301.354 0.529 20 30 DCEDHM C=C(C)CN1CC(N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001588430491 1166556292 /nfs/dbraw/zinc/55/62/92/1166556292.db2.gz QGIOTPSREAAKPD-UHFFFAOYSA-N -1 3 301.354 0.527 20 30 DCEDHM C=C(C)CN1CC(N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001588430491 1166556295 /nfs/dbraw/zinc/55/62/95/1166556295.db2.gz QGIOTPSREAAKPD-UHFFFAOYSA-N -1 3 301.354 0.527 20 30 DCEDHM C=CCNC(=O)CNC(=O)c1ccc(C)c(-c2nnn[n-]2)c1 ZINC001588660007 1166576430 /nfs/dbraw/zinc/57/64/30/1166576430.db2.gz VDPNPSRLVURLRP-UHFFFAOYSA-N -1 3 300.322 0.207 20 30 DCEDHM C=CCNC(=O)CNC(=O)c1ccc(C)c(-c2nn[n-]n2)c1 ZINC001588660007 1166576435 /nfs/dbraw/zinc/57/64/35/1166576435.db2.gz VDPNPSRLVURLRP-UHFFFAOYSA-N -1 3 300.322 0.207 20 30 DCEDHM C=CCOC[C@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588681663 1166579121 /nfs/dbraw/zinc/57/91/21/1166579121.db2.gz PFRVBNFCRJGAGV-LLVKDONJSA-N -1 3 314.305 0.494 20 30 DCEDHM C=CCOC[C@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588681663 1166579125 /nfs/dbraw/zinc/57/91/25/1166579125.db2.gz PFRVBNFCRJGAGV-LLVKDONJSA-N -1 3 314.305 0.494 20 30 DCEDHM C=CCOCC(=O)N[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001588675279 1166580252 /nfs/dbraw/zinc/58/02/52/1166580252.db2.gz BAVIIPBKAXLWPW-SNVBAGLBSA-N -1 3 317.353 0.381 20 30 DCEDHM C=CCOCC(=O)N[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001588675279 1166580255 /nfs/dbraw/zinc/58/02/55/1166580255.db2.gz BAVIIPBKAXLWPW-SNVBAGLBSA-N -1 3 317.353 0.381 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588726157 1166580867 /nfs/dbraw/zinc/58/08/67/1166580867.db2.gz VDODVLLSDMEVQP-JQWIXIFHSA-N -1 3 314.349 0.891 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588726157 1166580871 /nfs/dbraw/zinc/58/08/71/1166580871.db2.gz VDODVLLSDMEVQP-JQWIXIFHSA-N -1 3 314.349 0.891 20 30 DCEDHM C[C@@H](C#N)OCCOC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588934605 1166620057 /nfs/dbraw/zinc/62/00/57/1166620057.db2.gz QDNFLOYRCIFMHC-JTQLQIEISA-N -1 3 317.305 0.717 20 30 DCEDHM C[C@@H](CC#N)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001589788109 1166687562 /nfs/dbraw/zinc/68/75/62/1166687562.db2.gz SXXMWJXLUDILRO-GZMMTYOYSA-N -1 3 314.305 0.486 20 30 DCEDHM C[C@@H](CC#N)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001589788109 1166687567 /nfs/dbraw/zinc/68/75/67/1166687567.db2.gz SXXMWJXLUDILRO-GZMMTYOYSA-N -1 3 314.305 0.486 20 30 DCEDHM C[C@H](CC#N)C(=O)OCC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001589787038 1166689336 /nfs/dbraw/zinc/68/93/36/1166689336.db2.gz MQLVXZCXJUHFRA-SSDOTTSWSA-N -1 3 320.334 0.960 20 30 DCEDHM C[C@H](CC#N)C(=O)OCC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001589787038 1166689341 /nfs/dbraw/zinc/68/93/41/1166689341.db2.gz MQLVXZCXJUHFRA-SSDOTTSWSA-N -1 3 320.334 0.960 20 30 DCEDHM C[C@@H](NCC#N)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001589955841 1166731053 /nfs/dbraw/zinc/73/10/53/1166731053.db2.gz NADRCVCMABOXBF-ZJUUUORDSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@@H](NCC#N)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001589955841 1166731056 /nfs/dbraw/zinc/73/10/56/1166731056.db2.gz NADRCVCMABOXBF-ZJUUUORDSA-N -1 3 314.353 0.159 20 30 DCEDHM CC1(C)CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1NCC#N ZINC001590102164 1166773290 /nfs/dbraw/zinc/77/32/90/1166773290.db2.gz KJBBTEVQAJPYNT-LLVKDONJSA-N -1 3 314.353 0.159 20 30 DCEDHM CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1NCC#N ZINC001590102164 1166773296 /nfs/dbraw/zinc/77/32/96/1166773296.db2.gz KJBBTEVQAJPYNT-LLVKDONJSA-N -1 3 314.353 0.159 20 30 DCEDHM CCCNC(=S)NN=C(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001590637568 1166956432 /nfs/dbraw/zinc/95/64/32/1166956432.db2.gz ADBQFCOPZMGLCF-UHFFFAOYSA-N -1 3 304.383 0.860 20 30 DCEDHM CCCNC(=S)NN=C(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001590637568 1166956435 /nfs/dbraw/zinc/95/64/35/1166956435.db2.gz ADBQFCOPZMGLCF-UHFFFAOYSA-N -1 3 304.383 0.860 20 30 DCEDHM CCn1ncn(N=Cc2ccc(-c3nnn[n-]3)cc2F)c1=O ZINC001590971293 1167064361 /nfs/dbraw/zinc/06/43/61/1167064361.db2.gz TVVXUKNMHTZRQV-UHFFFAOYSA-N -1 3 302.273 0.266 20 30 DCEDHM CCn1ncn(N=Cc2ccc(-c3nn[n-]n3)cc2F)c1=O ZINC001590971293 1167064367 /nfs/dbraw/zinc/06/43/67/1167064367.db2.gz TVVXUKNMHTZRQV-UHFFFAOYSA-N -1 3 302.273 0.266 20 30 DCEDHM CNC(=O)c1ccc(Cn2cnc(C#N)c2-c2nnn[n-]2)cc1 ZINC001591213686 1167159196 /nfs/dbraw/zinc/15/91/96/1167159196.db2.gz RXSPCNUMWDDIPX-UHFFFAOYSA-N -1 3 308.305 0.343 20 30 DCEDHM COCC[C@](C)(C#N)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591397457 1167267550 /nfs/dbraw/zinc/26/75/50/1167267550.db2.gz MFUHFQBYVZIRDF-OAHLLOKOSA-N -1 3 314.349 0.844 20 30 DCEDHM COCC[C@](C)(C#N)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591397457 1167267556 /nfs/dbraw/zinc/26/75/56/1167267556.db2.gz MFUHFQBYVZIRDF-OAHLLOKOSA-N -1 3 314.349 0.844 20 30 DCEDHM C[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001591721075 1167361171 /nfs/dbraw/zinc/36/11/71/1167361171.db2.gz SHFXVMTYSIDRCX-LURJTMIESA-N -1 3 312.742 0.710 20 30 DCEDHM C[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC001591721075 1167361177 /nfs/dbraw/zinc/36/11/77/1167361177.db2.gz SHFXVMTYSIDRCX-LURJTMIESA-N -1 3 312.742 0.710 20 30 DCEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)OCC1(C#N)CCOCC1 ZINC001591784679 1167380797 /nfs/dbraw/zinc/38/07/97/1167380797.db2.gz BEXFXVVBCWNACU-UHFFFAOYSA-N -1 3 316.321 0.980 20 30 DCEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)OCC1(C#N)CCOCC1 ZINC001591784679 1167380804 /nfs/dbraw/zinc/38/08/04/1167380804.db2.gz BEXFXVVBCWNACU-UHFFFAOYSA-N -1 3 316.321 0.980 20 30 DCEDHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)NCCC#N ZINC001591989540 1167431200 /nfs/dbraw/zinc/43/12/00/1167431200.db2.gz DNLIHVAHQIIESZ-UHFFFAOYSA-N -1 3 310.314 0.506 20 30 DCEDHM Cc1cc(OC[C@@H](O)CN(C)CCC#N)ccc1-c1nn[n-]n1 ZINC001592060066 1167446567 /nfs/dbraw/zinc/44/65/67/1167446567.db2.gz VJRYJAFTFPRFQY-LBPRGKRZSA-N -1 3 316.365 0.760 20 30 DCEDHM Cc1cc(S(=O)(=O)N2CC(C#N)C2)ccc1-c1nnn[n-]1 ZINC001592064186 1167449273 /nfs/dbraw/zinc/44/92/73/1167449273.db2.gz VNOXYNLXENRPIV-UHFFFAOYSA-N -1 3 304.335 0.319 20 30 DCEDHM Cc1cc(S(=O)(=O)N2CC(C#N)C2)ccc1-c1nn[n-]n1 ZINC001592064186 1167449275 /nfs/dbraw/zinc/44/92/75/1167449275.db2.gz VNOXYNLXENRPIV-UHFFFAOYSA-N -1 3 304.335 0.319 20 30 DCEDHM Cc1cccc(NCCNc2cnc(C#N)c(-c3nnn[n-]3)n2)n1 ZINC001592235847 1167477524 /nfs/dbraw/zinc/47/75/24/1167477524.db2.gz YZCPEJXNHOHRLA-UHFFFAOYSA-N -1 3 322.336 0.756 20 30 DCEDHM Cc1cccc(NCCNc2cnc(C#N)c(-c3nn[n-]n3)n2)n1 ZINC001592235847 1167477527 /nfs/dbraw/zinc/47/75/27/1167477527.db2.gz YZCPEJXNHOHRLA-UHFFFAOYSA-N -1 3 322.336 0.756 20 30 DCEDHM Cc1nn(C)c(NC(=O)c2cc(-c3nnn[n-]3)ccn2)c1C#N ZINC001592433025 1167521295 /nfs/dbraw/zinc/52/12/95/1167521295.db2.gz QVFPSQYGLIZKJX-UHFFFAOYSA-N -1 3 309.293 0.428 20 30 DCEDHM Cc1nn(C)c(NC(=O)c2cc(-c3nn[n-]n3)ccn2)c1C#N ZINC001592433025 1167521301 /nfs/dbraw/zinc/52/13/01/1167521301.db2.gz QVFPSQYGLIZKJX-UHFFFAOYSA-N -1 3 309.293 0.428 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccno1 ZINC001592665628 1167591157 /nfs/dbraw/zinc/59/11/57/1167591157.db2.gz ITSUYOHHSKQCHI-LBPRGKRZSA-N -1 3 323.316 0.853 20 30 DCEDHM N#C[C@@H]1CN(C(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)CCO1 ZINC001592672047 1167594127 /nfs/dbraw/zinc/59/41/27/1167594127.db2.gz 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/nfs/dbraw/zinc/17/46/71/1169174671.db2.gz BSLYIBDABFGVKG-LLVKDONJSA-N -1 3 316.317 0.827 20 30 DCEDHM C#CCO[C@H](C)C(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC001602726030 1169174673 /nfs/dbraw/zinc/17/46/73/1169174673.db2.gz BSLYIBDABFGVKG-LLVKDONJSA-N -1 3 316.317 0.827 20 30 DCEDHM C=CCN1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)c(N)n2)C1=O ZINC001602862153 1169194650 /nfs/dbraw/zinc/19/46/50/1169194650.db2.gz FASBXWIEMNROPS-JTQLQIEISA-N -1 3 314.353 0.067 20 30 DCEDHM C=CCN1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)c(N)n2)C1=O ZINC001602862153 1169194657 /nfs/dbraw/zinc/19/46/57/1169194657.db2.gz FASBXWIEMNROPS-JTQLQIEISA-N -1 3 314.353 0.067 20 30 DCEDHM C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001603154608 1169259676 /nfs/dbraw/zinc/25/96/76/1169259676.db2.gz IMUSCMFHKBLHCK-LBPRGKRZSA-N -1 3 322.409 0.418 20 30 DCEDHM CC(C)[C@@H](C#N)NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001603379094 1169302549 /nfs/dbraw/zinc/30/25/49/1169302549.db2.gz DZMMSHVCNGSGOV-SNVBAGLBSA-N -1 3 300.326 0.338 20 30 DCEDHM CC(C)[C@@H](C#N)NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001603379094 1169302555 /nfs/dbraw/zinc/30/25/55/1169302555.db2.gz DZMMSHVCNGSGOV-SNVBAGLBSA-N -1 3 300.326 0.338 20 30 DCEDHM CC(C)[C@H](C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001603386388 1169303626 /nfs/dbraw/zinc/30/36/26/1169303626.db2.gz UZVRONLYMQPNDI-NSHDSACASA-N -1 3 324.341 0.832 20 30 DCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603443834 1169305528 /nfs/dbraw/zinc/30/55/28/1169305528.db2.gz ZTZNUXILZFYYNA-QMMMGPOBSA-N -1 3 307.339 0.184 20 30 DCEDHM C[C@@H](CO)NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001603566712 1169323490 /nfs/dbraw/zinc/32/34/90/1169323490.db2.gz UHDQEDWWXKAPOD-CABZTGNLSA-N -1 3 300.322 0.046 20 30 DCEDHM CN(C)C(=O)NCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001604670504 1169648797 /nfs/dbraw/zinc/64/87/97/1169648797.db2.gz FOEOUIKPFDMUHL-UHFFFAOYSA-N -1 3 300.326 0.421 20 30 DCEDHM CN(C)C(=O)NCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001604670504 1169648800 /nfs/dbraw/zinc/64/88/00/1169648800.db2.gz FOEOUIKPFDMUHL-UHFFFAOYSA-N -1 3 300.326 0.421 20 30 DCEDHM CN(Cc1ccccc1)C(=O)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001604817817 1169695270 /nfs/dbraw/zinc/69/52/70/1169695270.db2.gz MWHUWFBOWQSLEG-UHFFFAOYSA-N -1 3 322.332 0.593 20 30 DCEDHM COCCN(CCC#N)C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001605096154 1169822505 /nfs/dbraw/zinc/82/25/05/1169822505.db2.gz IWZNWMHHCYFXEP-UHFFFAOYSA-N -1 3 315.337 0.572 20 30 DCEDHM COCCN(CCC#N)C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001605096154 1169822512 /nfs/dbraw/zinc/82/25/12/1169822512.db2.gz IWZNWMHHCYFXEP-UHFFFAOYSA-N -1 3 315.337 0.572 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NCC#N ZINC001605183680 1169860823 /nfs/dbraw/zinc/86/08/23/1169860823.db2.gz ZWMRYIBXJPUPSA-UHFFFAOYSA-N -1 3 316.321 0.674 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NCC#N ZINC001605183680 1169860837 /nfs/dbraw/zinc/86/08/37/1169860837.db2.gz ZWMRYIBXJPUPSA-UHFFFAOYSA-N -1 3 316.321 0.674 20 30 DCEDHM Cc1[nH]nc(NC(=O)COc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC001606013635 1170048391 /nfs/dbraw/zinc/04/83/91/1170048391.db2.gz TXNJDTHJVWFPFT-UHFFFAOYSA-N -1 3 324.304 0.787 20 30 DCEDHM Cc1[nH]nc(NC(=O)COc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC001606013635 1170048399 /nfs/dbraw/zinc/04/83/99/1170048399.db2.gz TXNJDTHJVWFPFT-UHFFFAOYSA-N -1 3 324.304 0.787 20 30 DCEDHM Cc1[nH]nc(NC(=O)CC2(C#N)CCOCC2)c1-c1nnn[n-]1 ZINC001606013384 1170049594 /nfs/dbraw/zinc/04/95/94/1170049594.db2.gz OBIROAMGJGTGCG-UHFFFAOYSA-N -1 3 316.325 0.547 20 30 DCEDHM N#CCc1ccnc(NC(=O)c2cnccc2-c2nnn[n-]2)c1 ZINC001606351447 1170167783 /nfs/dbraw/zinc/16/77/83/1170167783.db2.gz KCVAYYGVKUFYBO-UHFFFAOYSA-N -1 3 306.289 0.975 20 30 DCEDHM N#CCc1ccnc(NC(=O)c2cnccc2-c2nn[n-]n2)c1 ZINC001606351447 1170167787 /nfs/dbraw/zinc/16/77/87/1170167787.db2.gz KCVAYYGVKUFYBO-UHFFFAOYSA-N -1 3 306.289 0.975 20 30 DCEDHM N#C[C@H]1C[C@H]1C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001606354754 1170168026 /nfs/dbraw/zinc/16/80/26/1170168026.db2.gz SMSRLOWCBSNENH-MGPQQGTHSA-N -1 3 324.344 0.926 20 30 DCEDHM N#C[C@H]1C[C@H]1C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001606354754 1170168029 /nfs/dbraw/zinc/16/80/29/1170168029.db2.gz SMSRLOWCBSNENH-MGPQQGTHSA-N -1 3 324.344 0.926 20 30 DCEDHM C#CCC[C@@H](O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001609020251 1170786559 /nfs/dbraw/zinc/78/65/59/1170786559.db2.gz WBALGCWLOQMZGV-SECBINFHSA-N -1 3 302.294 0.961 20 30 DCEDHM C#CCC[C@@H](O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001609020251 1170786562 /nfs/dbraw/zinc/78/65/62/1170786562.db2.gz WBALGCWLOQMZGV-SECBINFHSA-N -1 3 302.294 0.961 20 30 DCEDHM CC1(C#N)CN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001609142372 1170824194 /nfs/dbraw/zinc/82/41/94/1170824194.db2.gz WPMXBHVDCVQUBW-UHFFFAOYSA-N -1 3 322.325 0.540 20 30 DCEDHM CCOC(=O)c1cnn(CCOCCC#N)c1-c1nnn[n-]1 ZINC001609236170 1170890750 /nfs/dbraw/zinc/89/07/50/1170890750.db2.gz XPMNYXBBIAPWRR-UHFFFAOYSA-N -1 3 305.298 0.170 20 30 DCEDHM CC[C@H](C#N)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001609249383 1170898430 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/nfs/dbraw/zinc/64/35/71/670643571.db2.gz QVNUQRBOLUXIFG-AAEUAGOBSA-N -1 3 320.345 0.743 20 30 DCEDHM C#CCONC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000855604040 670735086 /nfs/dbraw/zinc/73/50/86/670735086.db2.gz XTSZZJXZPJBUHG-UHFFFAOYSA-N -1 3 312.322 0.561 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000816691450 670841321 /nfs/dbraw/zinc/84/13/21/670841321.db2.gz RLTMAWQTALRFBC-OLZOCXBDSA-N -1 3 317.345 0.398 20 30 DCEDHM COc1cc(OC)c(C(=O)N[C@H]2CCN([O-])C2=O)cc1OC ZINC000816693055 670843112 /nfs/dbraw/zinc/84/31/12/670843112.db2.gz BFPVIVLTYAYWKC-VIFPVBQESA-N -1 3 310.306 0.432 20 30 DCEDHM CC(=O)N[C@H](CC(=O)N[C@H]1CCN([O-])C1=O)c1ccc(C)cc1 ZINC000816692616 670843195 /nfs/dbraw/zinc/84/31/95/670843195.db2.gz RRKXLXMWGPFLJS-UONOGXRCSA-N -1 3 319.361 0.669 20 30 DCEDHM O=C(N[C@H]1CCN([O-])C1=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000816694126 670843482 /nfs/dbraw/zinc/84/34/82/670843482.db2.gz YVQXVPCGHGPGIG-UONOGXRCSA-N -1 3 321.352 0.896 20 30 DCEDHM O=C(NC1CC1)c1ccc(C(=O)N[C@@H]2CCN([O-])C2=O)cc1 ZINC000816693968 670844599 /nfs/dbraw/zinc/84/45/99/670844599.db2.gz WGKPPMKAHFGCIQ-GFCCVEGCSA-N -1 3 303.318 0.299 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1nc(Br)ccc1F ZINC000816694271 670844674 /nfs/dbraw/zinc/84/46/74/670844674.db2.gz BZAICMFQUFRYLL-ZCFIWIBFSA-N -1 3 318.102 0.703 20 30 DCEDHM O=C(N[C@H]1CCN([O-])C1=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000816695623 670845883 /nfs/dbraw/zinc/84/58/83/670845883.db2.gz HAZANKKTABWQKK-KOLCDFICSA-N -1 3 321.308 0.285 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(N2CCOCC2)cc1 ZINC000816697306 670846972 /nfs/dbraw/zinc/84/69/72/670846972.db2.gz XGKJQYOSHFFYKC-CYBMUJFWSA-N -1 3 305.334 0.243 20 30 DCEDHM C[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCCN([O-])C1=O ZINC000816753387 670857183 /nfs/dbraw/zinc/85/71/83/670857183.db2.gz HGJCVAUPBPOWPK-JQWIXIFHSA-N -1 3 305.334 0.301 20 30 DCEDHM CCC(CC)N1C[C@@H](C(=O)N[C@H]2CCCN([O-])C2=O)CC1=O ZINC000816753795 670858514 /nfs/dbraw/zinc/85/85/14/670858514.db2.gz PIYOKBHLMMTRKE-JQWIXIFHSA-N -1 3 311.382 0.520 20 30 DCEDHM Cn1ncc(C(=O)N[C@H]2CCCN([O-])C2=O)c1-n1cccc1 ZINC000816753491 670858985 /nfs/dbraw/zinc/85/89/85/670858985.db2.gz JKMJQFAFLVKZBH-NSHDSACASA-N -1 3 303.322 0.321 20 30 DCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cnc(-c2ncccn2)s1 ZINC000816754468 670859417 /nfs/dbraw/zinc/85/94/17/670859417.db2.gz FSWCRDYGAGRSSD-MRVPVSSYSA-N -1 3 319.346 0.710 20 30 DCEDHM O=C(CNC(=O)c1cccc(F)c1)N[C@H]1CCCN([O-])C1=O ZINC000816755857 670860383 /nfs/dbraw/zinc/86/03/83/670860383.db2.gz KLENXPQTCJZBNA-NSHDSACASA-N -1 3 309.297 0.052 20 30 DCEDHM CCCN(CCC)C(=O)CCC(=O)N[C@H]1CCCN([O-])C1=O ZINC000816756425 670860848 /nfs/dbraw/zinc/86/08/48/670860848.db2.gz XCGREQWAZVBIGH-LBPRGKRZSA-N -1 3 313.398 0.912 20 30 DCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000816755505 670860922 /nfs/dbraw/zinc/86/09/22/670860922.db2.gz BPTHREJDVCFHJW-ZYHUDNBSSA-N -1 3 321.333 0.125 20 30 DCEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000816757699 670861357 /nfs/dbraw/zinc/86/13/57/670861357.db2.gz ZKVCAPDBLPYBLQ-NEPJUHHUSA-N -1 3 309.366 0.131 20 30 DCEDHM Cc1cc(C)cc(C(=O)NCC(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000816759651 670863145 /nfs/dbraw/zinc/86/31/45/670863145.db2.gz REUHUQGQGZPDBS-CYBMUJFWSA-N -1 3 319.361 0.530 20 30 DCEDHM COc1cc(C=NN2C(=O)[C@@H](C)N(C)C2=O)c([N+](=O)[O-])cc1[O-] ZINC000857217136 670896418 /nfs/dbraw/zinc/89/64/18/670896418.db2.gz MDGYPANEBUJWPQ-SSDOTTSWSA-N -1 3 322.277 0.925 20 30 DCEDHM C#CCCS(=O)(=O)[N-][C@@H](C[C@H]1CCCOC1)C(=O)OC ZINC000859341646 671101326 /nfs/dbraw/zinc/10/13/26/671101326.db2.gz IRXMQXZSBLUUBZ-NEPJUHHUSA-N -1 3 303.380 0.287 20 30 DCEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(F)cc(N2CCOCC2)c1 ZINC000820132934 671169153 /nfs/dbraw/zinc/16/91/53/671169153.db2.gz SXYDHPRZQLOXTO-ZDUSSCGKSA-N -1 3 323.324 0.382 20 30 DCEDHM O=C(Nc1ccc(Cl)c(F)c1)C(=O)N[C@H]1CCN([O-])C1=O ZINC000820138360 671171213 /nfs/dbraw/zinc/17/12/13/671171213.db2.gz YSNZDFYVPAAQDF-VIFPVBQESA-N -1 3 315.688 0.524 20 30 DCEDHM COCCOc1cccc(CC(=O)N[C@@H]2CCN([O-])C2=O)c1 ZINC000820149377 671172263 /nfs/dbraw/zinc/17/22/63/671172263.db2.gz OQJKYMZGSUEPNS-CYBMUJFWSA-N -1 3 308.334 0.361 20 30 DCEDHM COc1cccc(CCC(=O)N[C@H]2CCN([O-])C2=O)c1OC ZINC000820163337 671173361 /nfs/dbraw/zinc/17/33/61/671173361.db2.gz RCXOQXYVSZVSPR-NSHDSACASA-N -1 3 308.334 0.743 20 30 DCEDHM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CCN([O-])C1=O ZINC000820157151 671173689 /nfs/dbraw/zinc/17/36/89/671173689.db2.gz SNOZFBLDFRORBA-KGLIPLIRSA-N -1 3 317.345 0.066 20 30 DCEDHM Cc1ccccc1-n1cc(C(=O)N[C@@H]2CCN([O-])C2=O)cn1 ZINC000820157403 671173939 /nfs/dbraw/zinc/17/39/39/671173939.db2.gz XBESYCWHVUQKLK-GFCCVEGCSA-N -1 3 300.318 0.901 20 30 DCEDHM CCCOc1ccc(OCC(=O)N[C@H]2CCN([O-])C2=O)cc1 ZINC000820179045 671175311 /nfs/dbraw/zinc/17/53/11/671175311.db2.gz DVTAQGDSEQKRSI-ZDUSSCGKSA-N -1 3 308.334 0.961 20 30 DCEDHM O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCN([O-])C1=O ZINC000820179242 671175504 /nfs/dbraw/zinc/17/55/04/671175504.db2.gz HCJOEDHCCADNQT-GFCCVEGCSA-N -1 3 322.321 0.893 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)C1(c2cccc(F)c2)CCOCC1 ZINC000820186210 671176687 /nfs/dbraw/zinc/17/66/87/671176687.db2.gz WIUFDNPRJDRBCT-CYBMUJFWSA-N -1 3 322.336 0.980 20 30 DCEDHM O=C(C[C@@H]1CC[C@H](C(F)(F)F)O1)N[C@@H]1CCCN([O-])C1=O ZINC000820545247 671209610 /nfs/dbraw/zinc/20/96/10/671209610.db2.gz WQHALZLDFYONQO-DJLDLDEBSA-N -1 3 310.272 0.983 20 30 DCEDHM COc1cccc(S([O-])=CC(=O)OCC(=O)NCCC#N)c1 ZINC000821360967 671274296 /nfs/dbraw/zinc/27/42/96/671274296.db2.gz WWXGWPBIWHDRBS-JOCHJYFZSA-N -1 3 324.358 0.376 20 30 DCEDHM C#CCOCCNC(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000823856494 671411330 /nfs/dbraw/zinc/41/13/30/671411330.db2.gz SIVRUXRIWDBCEG-NSHDSACASA-N -1 3 314.349 0.877 20 30 DCEDHM C#CCOCCNC(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000823856494 671411332 /nfs/dbraw/zinc/41/13/32/671411332.db2.gz SIVRUXRIWDBCEG-NSHDSACASA-N -1 3 314.349 0.877 20 30 DCEDHM C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC000824935372 671444354 /nfs/dbraw/zinc/44/43/54/671444354.db2.gz AHOOLDPBIWFWHN-UWVGGRQHSA-N -1 3 314.353 0.630 20 30 DCEDHM COCCOc1ccc(-c2nnn[n-]2)cc1N[C@H](C#N)COC ZINC000826161915 671481788 /nfs/dbraw/zinc/48/17/88/671481788.db2.gz FHYYVXIZUPUQEE-LLVKDONJSA-N -1 3 318.337 0.842 20 30 DCEDHM COCCOc1ccc(-c2nn[n-]n2)cc1N[C@H](C#N)COC ZINC000826161915 671481790 /nfs/dbraw/zinc/48/17/90/671481790.db2.gz FHYYVXIZUPUQEE-LLVKDONJSA-N -1 3 318.337 0.842 20 30 DCEDHM Cc1ccc(NC(=O)Cn2cnc(C#N)c2-c2nnn[n-]2)cc1 ZINC000826291244 671483371 /nfs/dbraw/zinc/48/33/71/671483371.db2.gz WDAFRASBUNNLDP-UHFFFAOYSA-N -1 3 308.305 0.882 20 30 DCEDHM N#CC[C@]1(O)CCN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C1 ZINC000826945717 671507289 /nfs/dbraw/zinc/50/72/89/671507289.db2.gz GVWLZLQGFFHQRV-JTQLQIEISA-N -1 3 318.259 0.384 20 30 DCEDHM C#CCSCCOC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C ZINC000835437832 671796276 /nfs/dbraw/zinc/79/62/76/671796276.db2.gz HTOLUQDLAQOQCO-SNVBAGLBSA-N -1 3 307.437 0.860 20 30 DCEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCCO1 ZINC000845912821 672282211 /nfs/dbraw/zinc/28/22/11/672282211.db2.gz VXKHSOBUTDTJTM-MNOVXSKESA-N -1 3 311.319 0.449 20 30 DCEDHM C#Cc1ccc(C(=O)N2CC[C@@](C)(NC(=O)c3cn[n-]n3)C2)cn1 ZINC000957184957 686989945 /nfs/dbraw/zinc/98/99/45/686989945.db2.gz FTHGBYGSOBXOFG-MRXNPFEDSA-N -1 3 324.344 0.216 20 30 DCEDHM C=CCCN1CCN(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000957376211 687044702 /nfs/dbraw/zinc/04/47/02/687044702.db2.gz HPLAMXIXKMIRIS-UHFFFAOYSA-N -1 3 313.357 0.904 20 30 DCEDHM C=CC(C)(C)C(=O)N1CC2(C1)C[C@H](NC(=O)c1cn[n-]n1)CO2 ZINC000965741553 689540727 /nfs/dbraw/zinc/54/07/27/689540727.db2.gz UOHICCCTYKLTEX-JTQLQIEISA-N -1 3 319.365 0.117 20 30 DCEDHM C=CCN1CCC[C@H](NC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1 ZINC001009272684 691018377 /nfs/dbraw/zinc/01/83/77/691018377.db2.gz YYNJTKTVSPBFDS-LBPRGKRZSA-N -1 3 313.357 0.950 20 30 DCEDHM CC#CCN1CC[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001015807109 692451197 /nfs/dbraw/zinc/45/11/97/692451197.db2.gz PNPIUMGAJBEWJE-LBPRGKRZSA-N -1 3 300.362 0.887 20 30 DCEDHM C[C@@H]1CC[C@@H](NC(=O)c2cn[n-]n2)CN1C(=O)C#CC1CC1 ZINC001018248648 693069299 /nfs/dbraw/zinc/06/92/99/693069299.db2.gz DBDQNMLANQTPER-ZYHUDNBSSA-N -1 3 301.350 0.327 20 30 DCEDHM C#CCN1CCC2(CCN(C(=O)c3n[nH]c(C)c3[O-])C2)CC1 ZINC001040671392 694590924 /nfs/dbraw/zinc/59/09/24/694590924.db2.gz LRHBPKAEKYNISK-UHFFFAOYSA-N -1 3 302.378 0.985 20 30 DCEDHM C[C@H](C#N)C(=O)N1CC2(C1)CCN(C(=O)c1cnc[n-]c1=O)C2 ZINC001019367100 693449114 /nfs/dbraw/zinc/44/91/14/693449114.db2.gz PZQAJFNLDRIMQF-SNVBAGLBSA-N -1 3 315.333 0.016 20 30 DCEDHM C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)NCc1nc(=O)n(C)[n-]1 ZINC001570625020 1162562295 /nfs/dbraw/zinc/56/22/95/1162562295.db2.gz RDKKDPCGKSOZMH-WDEREUQCSA-N -1 3 309.414 0.694 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(Br)[nH]c1=O ZINC001628369954 1157747939 /nfs/dbraw/zinc/74/79/39/1157747939.db2.gz HFWPSIQEWRVRRQ-ZCFIWIBFSA-N -1 3 316.111 0.270 20 30 DCEDHM CC[C@H](CNC(=O)c1c(C)nc[n-]c1=O)NC(=O)C#CC(C)C ZINC001746191419 1158303485 /nfs/dbraw/zinc/30/34/85/1158303485.db2.gz YMDYSQLHMVBDLL-GFCCVEGCSA-N -1 3 318.377 0.775 20 30 DCEDHM CC(=O)NCc1cccc(C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC001141464098 1159065547 /nfs/dbraw/zinc/06/55/47/1159065547.db2.gz YCUBCKRSBSWSRJ-ZDUSSCGKSA-N -1 3 305.334 0.433 20 30 DCEDHM C[C@H](C(=O)NCc1nc(CNCC#N)cc(=O)[n-]1)[C@H]1CCCO1 ZINC001565991376 1159939444 /nfs/dbraw/zinc/93/94/44/1159939444.db2.gz FRCUZDPPFGAGOM-CMPLNLGQSA-N -1 3 319.365 0.227 20 30 DCEDHM C=CCOCC(=O)N[C@H]1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001567162784 1160261819 /nfs/dbraw/zinc/26/18/19/1160261819.db2.gz UOVJRGREVPEWTG-MNOVXSKESA-N -1 3 309.370 0.230 20 30 DCEDHM C=CCNC(=O)[C@H](C)N(C)CCNC(=O)c1ccccc1[O-] ZINC001567270547 1160290422 /nfs/dbraw/zinc/29/04/22/1160290422.db2.gz CEZUTWBIEXVCIJ-LBPRGKRZSA-N -1 3 305.378 0.745 20 30 DCEDHM C#CCCCC(=O)N[C@@H](C)C[C@@H](C)NC(=O)c1cnc[n-]c1=O ZINC001572639677 1163263245 /nfs/dbraw/zinc/26/32/45/1163263245.db2.gz UNRFVBUXALPUBQ-NWDGAFQWSA-N -1 3 318.377 0.999 20 30 DCEDHM C=C(C)CCC(=O)NCc1cc(=O)[n-]c(CNC(=O)COC)n1 ZINC001573247543 1163408261 /nfs/dbraw/zinc/40/82/61/1163408261.db2.gz HOTZHSBWNFJXEJ-UHFFFAOYSA-N -1 3 322.365 0.417 20 30 DCEDHM CC#CCN1CCC(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])(COC)CC1 ZINC001573384006 1163420814 /nfs/dbraw/zinc/42/08/14/1163420814.db2.gz BPEGSPQVNNCHAU-KBPBESRZSA-N -1 3 322.405 0.575 20 30 DCEDHM CC(C)[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCC#N ZINC001574044562 1163628911 /nfs/dbraw/zinc/62/89/11/1163628911.db2.gz JEEYLEYHSUOMRF-LLVKDONJSA-N -1 3 302.342 0.062 20 30 DCEDHM CC(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCC#N ZINC001574044562 1163628916 /nfs/dbraw/zinc/62/89/16/1163628916.db2.gz JEEYLEYHSUOMRF-LLVKDONJSA-N -1 3 302.342 0.062 20 30 DCEDHM C[C@@H](CNC(=O)[C@@H](C)C#N)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574837678 1163766049 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COC[C@]1(CO)CCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001579746990 1165385405 /nfs/dbraw/zinc/38/54/05/1165385405.db2.gz LKWYSTJZQHUGPE-OAHLLOKOSA-N -1 3 314.349 0.574 20 30 DCEDHM C=CCC1(C(=O)NC[C@@H](C)NC(=O)c2cn[n-]n2)CCOCC1 ZINC001579870014 1165418651 /nfs/dbraw/zinc/41/86/51/1165418651.db2.gz IVAVNMKSATVPPK-LLVKDONJSA-N -1 3 321.381 0.412 20 30 DCEDHM Cn1c(CC#N)nnc1Sc1ncc(-c2nnn[n-]2)cc1F ZINC001581752543 1165868528 /nfs/dbraw/zinc/86/85/28/1165868528.db2.gz LEJVKBOOBDONLT-UHFFFAOYSA-N -1 3 317.313 0.747 20 30 DCEDHM Cn1c(CC#N)nnc1Sc1ncc(-c2nn[n-]n2)cc1F ZINC001581752543 1165868534 /nfs/dbraw/zinc/86/85/34/1165868534.db2.gz LEJVKBOOBDONLT-UHFFFAOYSA-N -1 3 317.313 0.747 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC(CF)CF ZINC001581855778 1165889404 /nfs/dbraw/zinc/88/94/04/1165889404.db2.gz MSBDUSNLQMHAFM-NSHDSACASA-N -1 3 320.303 0.973 20 30 DCEDHM N#Cc1cc(=O)n(Cc2ccc(Cl)cc2-c2nnn[n-]2)cn1 ZINC001581863297 1165894764 /nfs/dbraw/zinc/89/47/64/1165894764.db2.gz HECDEMVLBYDLIN-UHFFFAOYSA-N -1 3 313.708 0.997 20 30 DCEDHM N#Cc1cc(=O)n(Cc2ccc(Cl)cc2-c2nn[n-]n2)cn1 ZINC001581863297 1165894772 /nfs/dbraw/zinc/89/47/72/1165894772.db2.gz HECDEMVLBYDLIN-UHFFFAOYSA-N -1 3 313.708 0.997 20 30 DCEDHM C=C[C@@H](CC)CC(=O)N1CC(CNC(=O)c2cnc[n-]c2=O)C1 ZINC001582198718 1165981857 /nfs/dbraw/zinc/98/18/57/1165981857.db2.gz JEJCCWAPTUIVOA-NSHDSACASA-N -1 3 318.377 0.973 20 30 DCEDHM CC(C)(C)C#CC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cn[n-]n1 ZINC001582977353 1166148737 /nfs/dbraw/zinc/14/87/37/1166148737.db2.gz VUGRCNPXZHYIGR-RYUDHWBXSA-N -1 3 317.393 0.869 20 30 DCEDHM N#Cc1ccc(C[C@H](C#N)C(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001585936827 1166470423 /nfs/dbraw/zinc/47/04/23/1166470423.db2.gz BLZKLDXLQZJSDN-HUUCEWRRSA-N -1 3 323.356 0.869 20 30 DCEDHM C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588326397 1166524399 /nfs/dbraw/zinc/52/43/99/1166524399.db2.gz LCDYWTBALOSSSZ-QMMMGPOBSA-N -1 3 316.296 0.472 20 30 DCEDHM C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588326397 1166524403 /nfs/dbraw/zinc/52/44/03/1166524403.db2.gz LCDYWTBALOSSSZ-QMMMGPOBSA-N -1 3 316.296 0.472 20 30 DCEDHM C#C[C@H](NC(=O)c1ncc(-c2nnn[n-]2)cc1C)[C@H]1CCCO1 ZINC001588329858 1166526328 /nfs/dbraw/zinc/52/63/28/1166526328.db2.gz PKUCWNCWIZLWJX-NWDGAFQWSA-N -1 3 312.333 0.481 20 30 DCEDHM C#C[C@H](NC(=O)c1ncc(-c2nn[n-]n2)cc1C)[C@H]1CCCO1 ZINC001588329858 1166526333 /nfs/dbraw/zinc/52/63/33/1166526333.db2.gz PKUCWNCWIZLWJX-NWDGAFQWSA-N -1 3 312.333 0.481 20 30 DCEDHM C#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001588330256 1166526985 /nfs/dbraw/zinc/52/69/85/1166526985.db2.gz YGOQSYIMXBEEBA-NSHDSACASA-N -1 3 300.322 0.353 20 30 DCEDHM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001588330256 1166526992 /nfs/dbraw/zinc/52/69/92/1166526992.db2.gz YGOQSYIMXBEEBA-NSHDSACASA-N -1 3 300.322 0.353 20 30 DCEDHM C#C[C@H]1CCCN(c2nnc(-c3ccc(-c4nnn[n-]4)[nH]3)n2C)C1 ZINC001588332813 1166530304 /nfs/dbraw/zinc/53/03/04/1166530304.db2.gz SOSLCOQKUHLPPL-JTQLQIEISA-N -1 3 323.364 0.840 20 30 DCEDHM C#C[C@H]1CCCN(c2nnc(-c3ccc(-c4nn[n-]n4)[nH]3)n2C)C1 ZINC001588332813 1166530310 /nfs/dbraw/zinc/53/03/10/1166530310.db2.gz SOSLCOQKUHLPPL-JTQLQIEISA-N -1 3 323.364 0.840 20 30 DCEDHM C#CCC[C@H](O)CNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588336660 1166533010 /nfs/dbraw/zinc/53/30/10/1166533010.db2.gz DECWSRCOCJFDNV-ZDUSSCGKSA-N -1 3 314.349 0.169 20 30 DCEDHM C#CCOCCN(C)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001588362541 1166540445 /nfs/dbraw/zinc/54/04/45/1166540445.db2.gz JXMLXLDCWSFQGG-UHFFFAOYSA-N -1 3 321.362 0.137 20 30 DCEDHM C#CCOCCN(C)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001588362541 1166540448 /nfs/dbraw/zinc/54/04/48/1166540448.db2.gz JXMLXLDCWSFQGG-UHFFFAOYSA-N -1 3 321.362 0.137 20 30 DCEDHM C#CCN(CC#C)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C ZINC001588349810 1166541686 /nfs/dbraw/zinc/54/16/86/1166541686.db2.gz MNKSIGZNVMTDPR-UHFFFAOYSA-N -1 3 318.344 0.735 20 30 DCEDHM C#CCN(CC#C)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1C ZINC001588349810 1166541694 /nfs/dbraw/zinc/54/16/94/1166541694.db2.gz MNKSIGZNVMTDPR-UHFFFAOYSA-N -1 3 318.344 0.735 20 30 DCEDHM C#CCN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588349562 1166542151 /nfs/dbraw/zinc/54/21/51/1166542151.db2.gz HOIQBDBUMQOKDQ-UHFFFAOYSA-N -1 3 321.337 0.792 20 30 DCEDHM C#CCOCCNC(=O)c1[nH]c2ccccc2c1-c1nnn[n-]1 ZINC001588363754 1166548549 /nfs/dbraw/zinc/54/85/49/1166548549.db2.gz YPXDDSFWSMDFHZ-UHFFFAOYSA-N -1 3 310.317 0.728 20 30 DCEDHM C#CCOCCN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001588363763 1166550130 /nfs/dbraw/zinc/55/01/30/1166550130.db2.gz ZGKGRXRGSMBFGB-UHFFFAOYSA-N -1 3 313.365 0.034 20 30 DCEDHM C=C[C@H](COC)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001588526259 1166559071 /nfs/dbraw/zinc/55/90/71/1166559071.db2.gz UGHVVQUICJBHBL-MRVPVSSYSA-N -1 3 308.729 0.846 20 30 DCEDHM C=C[C@H](COC)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588526259 1166559078 /nfs/dbraw/zinc/55/90/78/1166559078.db2.gz UGHVVQUICJBHBL-MRVPVSSYSA-N -1 3 308.729 0.846 20 30 DCEDHM C=CCCC(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588569669 1166561990 /nfs/dbraw/zinc/56/19/90/1166561990.db2.gz DVBJDRXUKFMQPQ-NSHDSACASA-N -1 3 317.353 0.117 20 30 DCEDHM C=CCCC(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588569669 1166561996 /nfs/dbraw/zinc/56/19/96/1166561996.db2.gz DVBJDRXUKFMQPQ-NSHDSACASA-N -1 3 317.353 0.117 20 30 DCEDHM C=CC[C@H](CO)CNC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588545961 1166562008 /nfs/dbraw/zinc/56/20/08/1166562008.db2.gz SMILMUINFWDYJZ-JTQLQIEISA-N -1 3 302.338 0.485 20 30 DCEDHM C=CC[C@H](CO)CNC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588545961 1166562018 /nfs/dbraw/zinc/56/20/18/1166562018.db2.gz SMILMUINFWDYJZ-JTQLQIEISA-N -1 3 302.338 0.485 20 30 DCEDHM C=CCCOCC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC001588615961 1166572040 /nfs/dbraw/zinc/57/20/40/1166572040.db2.gz OZPVVDCQOOEOIV-UHFFFAOYSA-N -1 3 317.353 0.383 20 30 DCEDHM C=CCCOCC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC001588615961 1166572047 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C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588726254 1166580886 /nfs/dbraw/zinc/58/08/86/1166580886.db2.gz WZNVKYGLRSGULX-GWCFXTLKSA-N -1 3 314.349 0.891 20 30 DCEDHM C=CCS(=O)(=O)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001588688607 1166580956 /nfs/dbraw/zinc/58/09/56/1166580956.db2.gz LOKBONMFYJSOPS-UHFFFAOYSA-N -1 3 308.367 0.583 20 30 DCEDHM C=CCS(=O)(=O)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001588688607 1166580959 /nfs/dbraw/zinc/58/09/59/1166580959.db2.gz LOKBONMFYJSOPS-UHFFFAOYSA-N -1 3 308.367 0.583 20 30 DCEDHM CC#CC(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001588739057 1166584728 /nfs/dbraw/zinc/58/47/28/1166584728.db2.gz XLMGJJBTKYSALX-UHFFFAOYSA-N -1 3 302.363 0.600 20 30 DCEDHM CC#CCN(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588746180 1166585195 /nfs/dbraw/zinc/58/51/95/1166585195.db2.gz MSSBMMQTLCKCMN-UHFFFAOYSA-N -1 3 312.333 0.078 20 30 DCEDHM CC#CCN(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588746180 1166585199 /nfs/dbraw/zinc/58/51/99/1166585199.db2.gz MSSBMMQTLCKCMN-UHFFFAOYSA-N -1 3 312.333 0.078 20 30 DCEDHM C[C@H](C#N)CN(C)C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588930638 1166618915 /nfs/dbraw/zinc/61/89/15/1166618915.db2.gz BOBRZQYKSCXQAH-SNVBAGLBSA-N -1 3 300.322 0.864 20 30 DCEDHM C[C@H](C#N)CN(C)C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588930638 1166618920 /nfs/dbraw/zinc/61/89/20/1166618920.db2.gz BOBRZQYKSCXQAH-SNVBAGLBSA-N -1 3 300.322 0.864 20 30 DCEDHM C[C@H](CC#N)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001589787625 1166687327 /nfs/dbraw/zinc/68/73/27/1166687327.db2.gz MVAYZVUDAYVJBT-ZWNOBZJWSA-N -1 3 311.349 0.864 20 30 DCEDHM C[C@H](CC#N)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001589787625 1166687333 /nfs/dbraw/zinc/68/73/33/1166687333.db2.gz MVAYZVUDAYVJBT-ZWNOBZJWSA-N -1 3 311.349 0.864 20 30 DCEDHM C[C@]1(C#N)CN(CCOc2ccccc2-c2nnn[n-]2)CCO1 ZINC001590056335 1166762705 /nfs/dbraw/zinc/76/27/05/1166762705.db2.gz HMACVYXNDCPXIG-HNNXBMFYSA-N -1 3 314.349 0.860 20 30 DCEDHM C[C@]1(C#N)CN(CCOc2ccccc2-c2nn[n-]n2)CCO1 ZINC001590056335 1166762708 /nfs/dbraw/zinc/76/27/08/1166762708.db2.gz HMACVYXNDCPXIG-HNNXBMFYSA-N -1 3 314.349 0.860 20 30 DCEDHM CC1(NCC#N)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001590146778 1166790033 /nfs/dbraw/zinc/79/00/33/1166790033.db2.gz KWLACUYJDVUUQK-UHFFFAOYSA-N -1 3 314.353 0.303 20 30 DCEDHM CC1(NCC#N)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001590146778 1166790044 /nfs/dbraw/zinc/79/00/44/1166790044.db2.gz KWLACUYJDVUUQK-UHFFFAOYSA-N -1 3 314.353 0.303 20 30 DCEDHM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1CC#N ZINC001590203608 1166811857 /nfs/dbraw/zinc/81/18/57/1166811857.db2.gz UUWPKBCVMPYNGF-ZJUUUORDSA-N -1 3 314.353 0.301 20 30 DCEDHM C[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1CC#N ZINC001590203608 1166811864 /nfs/dbraw/zinc/81/18/64/1166811864.db2.gz UUWPKBCVMPYNGF-ZJUUUORDSA-N -1 3 314.353 0.301 20 30 DCEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)NCC#N ZINC001590638967 1166960939 /nfs/dbraw/zinc/96/09/39/1166960939.db2.gz HTTUFSMMBJMZTP-UHFFFAOYSA-N -1 3 314.353 0.740 20 30 DCEDHM CCN([C@H](C)C#N)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001590677180 1166965726 /nfs/dbraw/zinc/96/57/26/1166965726.db2.gz SWZWBEHUOOCIPJ-SNVBAGLBSA-N -1 3 320.378 0.930 20 30 DCEDHM CCN([C@H](C)C#N)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001590677180 1166965735 /nfs/dbraw/zinc/96/57/35/1166965735.db2.gz SWZWBEHUOOCIPJ-SNVBAGLBSA-N -1 3 320.378 0.930 20 30 DCEDHM CN(C)C[C@](C)(C#N)NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001591012565 1167079770 /nfs/dbraw/zinc/07/97/70/1167079770.db2.gz VWPVBFWFVBXLBR-LBPRGKRZSA-N -1 3 305.367 0.502 20 30 DCEDHM COCC#CCN1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001591360117 1167234049 /nfs/dbraw/zinc/23/40/49/1167234049.db2.gz AANPKKIHALMDNV-UHFFFAOYSA-N -1 3 318.406 0.700 20 30 DCEDHM COCC#CCN1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001591360117 1167234058 /nfs/dbraw/zinc/23/40/58/1167234058.db2.gz AANPKKIHALMDNV-UHFFFAOYSA-N -1 3 318.406 0.700 20 30 DCEDHM COCc1nc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)cs1 ZINC001591459993 1167294679 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ZINC001572616343 1163248848 /nfs/dbraw/zinc/24/88/48/1163248848.db2.gz RIRADXJAWGIISM-ZJUUUORDSA-N -1 3 322.394 0.171 20 30 DCEDHM C[C@H](CCNC(=O)[C@@H](C)C#N)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574587329 1163733659 /nfs/dbraw/zinc/73/36/59/1163733659.db2.gz MWRRUOJTJFAUMP-VHSXEESVSA-N -1 3 314.353 0.728 20 30 DCEDHM C[C@H](CCNC(=O)[C@@H](C)C#N)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574587329 1163733664 /nfs/dbraw/zinc/73/36/64/1163733664.db2.gz MWRRUOJTJFAUMP-VHSXEESVSA-N -1 3 314.353 0.728 20 30 DCEDHM C[C@H](C#N)C(=O)NCC[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001574589469 1163734023 /nfs/dbraw/zinc/73/40/23/1163734023.db2.gz XIPDYOJHKIYSIY-NXEZZACHSA-N -1 3 314.353 0.728 20 30 DCEDHM C[C@H](C#N)C(=O)NCC[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001574589469 1163734025 /nfs/dbraw/zinc/73/40/25/1163734025.db2.gz XIPDYOJHKIYSIY-NXEZZACHSA-N -1 3 314.353 0.728 20 30 DCEDHM C[C@H](CNC(=O)[C@@H](C)C#N)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001574837676 1163766208 /nfs/dbraw/zinc/76/62/08/1163766208.db2.gz STLRMNLKEWDRAG-UWVGGRQHSA-N -1 3 314.353 0.586 20 30 DCEDHM C[C@H](CNC(=O)[C@@H](C)C#N)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001574837676 1163766214 /nfs/dbraw/zinc/76/62/14/1163766214.db2.gz STLRMNLKEWDRAG-UWVGGRQHSA-N -1 3 314.353 0.586 20 30 DCEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)[nH]1)[C@H](CNCC#N)C1CC1 ZINC001578914048 1165158509 /nfs/dbraw/zinc/15/85/09/1165158509.db2.gz RKQRIHADCMVQIO-GFCCVEGCSA-N -1 3 314.353 0.159 20 30 DCEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)[nH]1)[C@H](CNCC#N)C1CC1 ZINC001578914048 1165158514 /nfs/dbraw/zinc/15/85/14/1165158514.db2.gz RKQRIHADCMVQIO-GFCCVEGCSA-N -1 3 314.353 0.159 20 30 DCEDHM CN(CC#N)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001579003722 1165185195 /nfs/dbraw/zinc/18/51/95/1165185195.db2.gz DGIYDRGNGZLXLL-SNVBAGLBSA-N -1 3 314.353 0.112 20 30 DCEDHM CN(CC#N)C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579003722 1165185202 /nfs/dbraw/zinc/18/52/02/1165185202.db2.gz DGIYDRGNGZLXLL-SNVBAGLBSA-N -1 3 314.353 0.112 20 30 DCEDHM COc1ncc(NC(=O)c2cc(-c3nnn[n-]3)ccn2)cc1C#N ZINC001580138862 1165515202 /nfs/dbraw/zinc/51/52/02/1165515202.db2.gz QBHFOEMVVBPTSY-UHFFFAOYSA-N -1 3 322.288 0.789 20 30 DCEDHM COc1ncc(NC(=O)c2cc(-c3nn[n-]n3)ccn2)cc1C#N ZINC001580138862 1165515207 /nfs/dbraw/zinc/51/52/07/1165515207.db2.gz QBHFOEMVVBPTSY-UHFFFAOYSA-N -1 3 322.288 0.789 20 30 DCEDHM Cc1nn(C)c(NC(=O)c2ncc(-c3nnn[n-]3)cc2C)c1C#N ZINC001580626407 1165664388 /nfs/dbraw/zinc/66/43/88/1165664388.db2.gz ZOFWDMLSPHDIHJ-UHFFFAOYSA-N -1 3 323.320 0.736 20 30 DCEDHM Cc1nn(C)c(NC(=O)c2ncc(-c3nn[n-]n3)cc2C)c1C#N ZINC001580626407 1165664392 /nfs/dbraw/zinc/66/43/92/1165664392.db2.gz ZOFWDMLSPHDIHJ-UHFFFAOYSA-N -1 3 323.320 0.736 20 30 DCEDHM Cc1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc(-c2nnn[n-]2)c1 ZINC001580978508 1165766729 /nfs/dbraw/zinc/76/67/29/1165766729.db2.gz AESBXTHTKMGTGU-VIFPVBQESA-N -1 3 323.320 0.838 20 30 DCEDHM Cc1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc(-c2nn[n-]n2)c1 ZINC001580978508 1165766734 /nfs/dbraw/zinc/76/67/34/1165766734.db2.gz AESBXTHTKMGTGU-VIFPVBQESA-N -1 3 323.320 0.838 20 30 DCEDHM Cn1ccnc1[C@H]1CCN(c2cnc(C#N)c(-c3nn[n-]n3)n2)C1 ZINC001581797462 1165878379 /nfs/dbraw/zinc/87/83/79/1165878379.db2.gz DAMCSJKPRMKBOH-VIFPVBQESA-N -1 3 322.336 0.256 20 30 DCEDHM N#Cc1cncnc1N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001581883481 1165901611 /nfs/dbraw/zinc/90/16/11/1165901611.db2.gz KVTKBAXJRDJXHU-UHFFFAOYSA-N -1 3 320.316 0.796 20 30 DCEDHM C#C[C@@H](C)N(C)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC001588324969 1166520648 /nfs/dbraw/zinc/52/06/48/1166520648.db2.gz BQTQQYUHUBUFKS-SNVBAGLBSA-N -1 3 314.353 0.337 20 30 DCEDHM C#C[C@@H](C)N(C)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC001588324969 1166520653 /nfs/dbraw/zinc/52/06/53/1166520653.db2.gz BQTQQYUHUBUFKS-SNVBAGLBSA-N -1 3 314.353 0.337 20 30 DCEDHM C#C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001588329035 1166522574 /nfs/dbraw/zinc/52/25/74/1166522574.db2.gz WLBLNODYCLKTDJ-GFCCVEGCSA-N -1 3 323.353 0.942 20 30 DCEDHM C#C[C@@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001588329035 1166522579 /nfs/dbraw/zinc/52/25/79/1166522579.db2.gz WLBLNODYCLKTDJ-GFCCVEGCSA-N -1 3 323.353 0.942 20 30 DCEDHM C#C[C@H](NC(=O)Cc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCO1 ZINC001588329439 1166525464 /nfs/dbraw/zinc/52/54/64/1166525464.db2.gz GJNQJFZDFOBELZ-UONOGXRCSA-N -1 3 311.345 0.706 20 30 DCEDHM C#C[C@H](NC(=O)Cc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCO1 ZINC001588329439 1166525474 /nfs/dbraw/zinc/52/54/74/1166525474.db2.gz GJNQJFZDFOBELZ-UONOGXRCSA-N -1 3 311.345 0.706 20 30 DCEDHM C#C[C@@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588330911 1166526087 /nfs/dbraw/zinc/52/60/87/1166526087.db2.gz LUAAHTYKVGZYGC-LLVKDONJSA-N -1 3 313.317 0.350 20 30 DCEDHM C#C[C@@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588330911 1166526095 /nfs/dbraw/zinc/52/60/95/1166526095.db2.gz LUAAHTYKVGZYGC-LLVKDONJSA-N -1 3 313.317 0.350 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588332146 1166530248 /nfs/dbraw/zinc/53/02/48/1166530248.db2.gz WDZFJPAXTRWBEG-JTQLQIEISA-N -1 3 316.321 0.381 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588332146 1166530255 /nfs/dbraw/zinc/53/02/55/1166530255.db2.gz WDZFJPAXTRWBEG-JTQLQIEISA-N -1 3 316.321 0.381 20 30 DCEDHM C#CCCCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC001588341065 1166534829 /nfs/dbraw/zinc/53/48/29/1166534829.db2.gz ULJRQUAGKLZSLQ-UHFFFAOYSA-N -1 3 303.351 0.911 20 30 DCEDHM C#CCCCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC001588341065 1166534835 /nfs/dbraw/zinc/53/48/35/1166534835.db2.gz ULJRQUAGKLZSLQ-UHFFFAOYSA-N -1 3 303.351 0.911 20 30 DCEDHM C#CCCS(=O)(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588346854 1166536889 /nfs/dbraw/zinc/53/68/89/1166536889.db2.gz ACVMCQZZYTVQTI-ZDUSSCGKSA-N -1 3 317.374 0.277 20 30 DCEDHM C#CCCS(=O)(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588346854 1166536895 /nfs/dbraw/zinc/53/68/95/1166536895.db2.gz ACVMCQZZYTVQTI-ZDUSSCGKSA-N -1 3 317.374 0.277 20 30 DCEDHM C#CCn1cc(CNC(=O)c2cscc2-c2nnn[n-]2)cn1 ZINC001588364068 1166549544 /nfs/dbraw/zinc/54/95/44/1166549544.db2.gz QYGPBSSSSAILKM-UHFFFAOYSA-N -1 3 313.346 0.688 20 30 DCEDHM C#CCn1cc(CNC(=O)c2cscc2-c2nn[n-]n2)cn1 ZINC001588364068 1166549548 /nfs/dbraw/zinc/54/95/48/1166549548.db2.gz QYGPBSSSSAILKM-UHFFFAOYSA-N -1 3 313.346 0.688 20 30 DCEDHM C=CC[C@@H](C)NS(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001588539557 1166559404 /nfs/dbraw/zinc/55/94/04/1166559404.db2.gz PWTCRAJYPIJGFJ-MRVPVSSYSA-N -1 3 308.367 0.813 20 30 DCEDHM C=CC[C@@H](C)NS(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001588539557 1166559413 /nfs/dbraw/zinc/55/94/13/1166559413.db2.gz PWTCRAJYPIJGFJ-MRVPVSSYSA-N -1 3 308.367 0.813 20 30 DCEDHM C=CC[C@H](CO)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588545245 1166560721 /nfs/dbraw/zinc/56/07/21/1166560721.db2.gz BQVAMZOVQBXUFT-LLVKDONJSA-N -1 3 303.322 0.299 20 30 DCEDHM C=C[C@H](NCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC001588526090 1166561061 /nfs/dbraw/zinc/56/10/61/1166561061.db2.gz QEFHTRWLWIEFNR-LBPRGKRZSA-N -1 3 303.322 0.563 20 30 DCEDHM C=CC[C@@H](CO)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588545193 1166561092 /nfs/dbraw/zinc/56/10/92/1166561092.db2.gz AJQHRQIZTKFSFZ-QWRGUYRKSA-N -1 3 317.349 0.687 20 30 DCEDHM C=CC[C@@H](CO)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588545193 1166561096 /nfs/dbraw/zinc/56/10/96/1166561096.db2.gz AJQHRQIZTKFSFZ-QWRGUYRKSA-N -1 3 317.349 0.687 20 30 DCEDHM C=CC[C@H]1NC(=O)N(CCc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588564145 1166562253 /nfs/dbraw/zinc/56/22/53/1166562253.db2.gz IWVICHHJWCOELO-GFCCVEGCSA-N -1 3 312.333 0.906 20 30 DCEDHM C=CC[C@H]1NC(=O)N(CCc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588564145 1166562258 /nfs/dbraw/zinc/56/22/58/1166562258.db2.gz IWVICHHJWCOELO-GFCCVEGCSA-N -1 3 312.333 0.906 20 30 DCEDHM C=CC[C@@H](OC(=O)c1ccc(-c2nnn[n-]2)n1C)C(=O)OC ZINC001588548834 1166563353 /nfs/dbraw/zinc/56/33/53/1166563353.db2.gz HXOWLOAIWFKEFH-SNVBAGLBSA-N -1 3 305.294 0.480 20 30 DCEDHM C=CC[C@@H](OC(=O)c1ccc(-c2nn[n-]n2)n1C)C(=O)OC ZINC001588548834 1166563357 /nfs/dbraw/zinc/56/33/57/1166563357.db2.gz HXOWLOAIWFKEFH-SNVBAGLBSA-N -1 3 305.294 0.480 20 30 DCEDHM C=CCCC(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588576488 1166565777 /nfs/dbraw/zinc/56/57/77/1166565777.db2.gz SBMBUANJWDYWTD-LLVKDONJSA-N -1 3 313.365 0.923 20 30 DCEDHM C=CCCC(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588576488 1166565782 /nfs/dbraw/zinc/56/57/82/1166565782.db2.gz SBMBUANJWDYWTD-LLVKDONJSA-N -1 3 313.365 0.923 20 30 DCEDHM C=CCOCC(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588675265 1166578283 /nfs/dbraw/zinc/57/82/83/1166578283.db2.gz AQSIZAZYBVZLAF-JTQLQIEISA-N -1 3 317.353 0.381 20 30 DCEDHM C=CCOCC(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588675265 1166578292 /nfs/dbraw/zinc/57/82/92/1166578292.db2.gz AQSIZAZYBVZLAF-JTQLQIEISA-N -1 3 317.353 0.381 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588725296 1166580936 /nfs/dbraw/zinc/58/09/36/1166580936.db2.gz AAVHRBHQSNAGCX-CABZTGNLSA-N -1 3 302.338 0.526 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588725296 1166580942 /nfs/dbraw/zinc/58/09/42/1166580942.db2.gz AAVHRBHQSNAGCX-CABZTGNLSA-N -1 3 302.338 0.526 20 30 DCEDHM CC#CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588738383 1166583811 /nfs/dbraw/zinc/58/38/11/1166583811.db2.gz NMYWYKZLPNVSNK-VIFPVBQESA-N -1 3 302.294 0.961 20 30 DCEDHM CC#CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588738383 1166583817 /nfs/dbraw/zinc/58/38/17/1166583817.db2.gz NMYWYKZLPNVSNK-VIFPVBQESA-N -1 3 302.294 0.961 20 30 DCEDHM CC#CCCNC(=O)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588746860 1166584984 /nfs/dbraw/zinc/58/49/84/1166584984.db2.gz ZAZXMYQHFDGKOI-UHFFFAOYSA-N -1 3 304.335 0.396 20 30 DCEDHM CC#CCCNC(=O)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588746860 1166584990 /nfs/dbraw/zinc/58/49/90/1166584990.db2.gz ZAZXMYQHFDGKOI-UHFFFAOYSA-N -1 3 304.335 0.396 20 30 DCEDHM CC(C)(C#N)C(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001589033980 1166630883 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N#C[C@H]1CN(C[C@H](O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC001606345362 1170165665 /nfs/dbraw/zinc/16/56/65/1170165665.db2.gz IGAGUQNYPSAOEI-STQMWFEESA-N -1 3 300.322 0.124 20 30 DCEDHM N#C[C@H]1CN(C[C@H](O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001606345362 1170165667 /nfs/dbraw/zinc/16/56/67/1170165667.db2.gz IGAGUQNYPSAOEI-STQMWFEESA-N -1 3 300.322 0.124 20 30 DCEDHM N#Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)ccc1-c1nnn[n-]1 ZINC001606361459 1170170330 /nfs/dbraw/zinc/17/03/30/1170170330.db2.gz REQPGJJYGQVYNE-WCFLWFBJSA-N -1 3 308.301 0.902 20 30 DCEDHM N#Cc1cc(NC(=O)[C@H]2[C@@H]3C(=O)CC[C@H]23)ccc1-c1nn[n-]n1 ZINC001606361459 1170170335 /nfs/dbraw/zinc/17/03/35/1170170335.db2.gz REQPGJJYGQVYNE-WCFLWFBJSA-N -1 3 308.301 0.902 20 30 DCEDHM COC(=O)[C@@H]1C[C@H](O)CN([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC001606378405 1170175109 /nfs/dbraw/zinc/17/51/09/1170175109.db2.gz PRORQBKFCDPAHV-RDBSUJKOSA-N -1 3 318.329 0.540 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@H](C2OCCO2)C1 ZINC001606380752 1170176136 /nfs/dbraw/zinc/17/61/36/1170176136.db2.gz DXIFSLOTRAAOCH-LLVKDONJSA-N -1 3 312.333 0.938 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@H](C2OCCO2)C1 ZINC001606380752 1170176139 /nfs/dbraw/zinc/17/61/39/1170176139.db2.gz DXIFSLOTRAAOCH-LLVKDONJSA-N -1 3 312.333 0.938 20 30 DCEDHM N#Cc1ncn(Cc2csc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC001606398871 1170185352 /nfs/dbraw/zinc/18/53/52/1170185352.db2.gz ZCMIRMILSVSLGL-UHFFFAOYSA-N -1 3 302.279 0.953 20 30 DCEDHM N#Cc1ncn(CCN2CCc3ccccc32)c1-c1nnn[n-]1 ZINC001606398884 1170185530 /nfs/dbraw/zinc/18/55/30/1170185530.db2.gz ZHTVIOKSZFWDRV-UHFFFAOYSA-N -1 3 306.333 0.998 20 30 DCEDHM O=C(C#CC1CC1)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001606458211 1170212906 /nfs/dbraw/zinc/21/29/06/1170212906.db2.gz UTWQPRNNOHMPMG-UHFFFAOYSA-N -1 3 323.360 0.324 20 30 DCEDHM O=C(C#CC1CC1)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001606458211 1170212911 /nfs/dbraw/zinc/21/29/11/1170212911.db2.gz UTWQPRNNOHMPMG-UHFFFAOYSA-N -1 3 323.360 0.324 20 30 DCEDHM c1cc(-c2nnn[n-]2)ccc1CNN=C1CCO[C@]12CCOC2 ZINC001607115500 1170403712 /nfs/dbraw/zinc/40/37/12/1170403712.db2.gz PUTYWZCTUCMMJZ-HNNXBMFYSA-N -1 3 314.349 0.892 20 30 DCEDHM c1cc(-c2nn[n-]n2)ccc1CNN=C1CCO[C@]12CCOC2 ZINC001607115500 1170403714 /nfs/dbraw/zinc/40/37/14/1170403714.db2.gz PUTYWZCTUCMMJZ-HNNXBMFYSA-N -1 3 314.349 0.892 20 30 DCEDHM C#C[C@H](NC(=O)c1sccc1-c1nnn[n-]1)[C@H]1CCCO1 ZINC001609019192 1170784886 /nfs/dbraw/zinc/78/48/86/1170784886.db2.gz PASKPDAVDAARDA-VHSXEESVSA-N -1 3 303.347 0.839 20 30 DCEDHM C#C[C@H](NC(=O)c1sccc1-c1nn[n-]n1)[C@H]1CCCO1 ZINC001609019192 1170784889 /nfs/dbraw/zinc/78/48/89/1170784889.db2.gz PASKPDAVDAARDA-VHSXEESVSA-N -1 3 303.347 0.839 20 30 DCEDHM C[C@@H](C(=O)N(C)c1cccc(-c2nnn[n-]2)c1)n1cnc(C#N)n1 ZINC001609068994 1170798860 /nfs/dbraw/zinc/79/88/60/1170798860.db2.gz ZMWSRKVGNKQCDE-VIFPVBQESA-N -1 3 323.320 0.554 20 30 DCEDHM C[C@@H](C(=O)N(C)c1cccc(-c2nn[n-]n2)c1)n1cnc(C#N)n1 ZINC001609068994 1170798864 /nfs/dbraw/zinc/79/88/64/1170798864.db2.gz ZMWSRKVGNKQCDE-VIFPVBQESA-N -1 3 323.320 0.554 20 30 DCEDHM CN(C)C[C@@](C)(C#N)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001609266374 1170903987 /nfs/dbraw/zinc/90/39/87/1170903987.db2.gz HOKJKWMATDKBCT-OAHLLOKOSA-N -1 3 313.365 0.369 20 30 DCEDHM CN(C)C[C@@](C)(C#N)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001609266374 1170903988 /nfs/dbraw/zinc/90/39/88/1170903988.db2.gz HOKJKWMATDKBCT-OAHLLOKOSA-N -1 3 313.365 0.369 20 30 DCEDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc(C#N)cn1 ZINC001609275468 1170908020 /nfs/dbraw/zinc/90/80/20/1170908020.db2.gz GUMBLDODQAAUBA-UHFFFAOYSA-N -1 3 324.352 0.508 20 30 DCEDHM Cc1nc(C(=O)N2CCSC[C@H]2C#N)ccc1-c1nnn[n-]1 ZINC001609447397 1170980242 /nfs/dbraw/zinc/98/02/42/1170980242.db2.gz MPONHAVPXCCDHB-SECBINFHSA-N -1 3 315.362 0.651 20 30 DCEDHM Cc1nc(C(=O)N2CCSC[C@H]2C#N)ccc1-c1nn[n-]n1 ZINC001609447397 1170980245 /nfs/dbraw/zinc/98/02/45/1170980245.db2.gz MPONHAVPXCCDHB-SECBINFHSA-N -1 3 315.362 0.651 20 30 DCEDHM Cn1cc(OC(=O)[C@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001609479896 1170994350 /nfs/dbraw/zinc/99/43/50/1170994350.db2.gz WMBOHPPACUQNMW-LBPRGKRZSA-N -1 3 323.316 0.888 20 30 DCEDHM N#Cc1nccn1CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001609500868 1171000606 /nfs/dbraw/zinc/00/06/06/1171000606.db2.gz GGCRPVKTEGMANU-UHFFFAOYSA-N -1 3 308.305 0.964 20 30 DCEDHM N#Cc1nccn1CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001609500868 1171000614 /nfs/dbraw/zinc/00/06/14/1171000614.db2.gz GGCRPVKTEGMANU-UHFFFAOYSA-N -1 3 308.305 0.964 20 30 DCEDHM N#CCCC[C@H](N)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001610621956 1171271186 /nfs/dbraw/zinc/27/11/86/1171271186.db2.gz WSYCKZIERYWNQZ-LBPRGKRZSA-N -1 3 318.333 0.461 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001624906486 1171462892 /nfs/dbraw/zinc/46/28/92/1171462892.db2.gz KZWCNOFIVXWDJQ-WDEREUQCSA-N -1 3 324.358 0.054 20 30 DCEDHM Cc1cc(-c2nc(C(=O)N[C@@H]3CCN([O-])C3=O)co2)ccn1 ZINC001636353548 1171734841 /nfs/dbraw/zinc/73/48/41/1171734841.db2.gz ZEYOYNXPQBSMST-SNVBAGLBSA-N -1 3 302.290 0.765 20 30 DCEDHM O=C(N[C@H]1CCN([O-])C1=O)[C@H]1CSC(c2ccccc2O)=N1 ZINC001637464668 1171767690 /nfs/dbraw/zinc/76/76/90/1171767690.db2.gz IKBKEBPVUVSEJJ-VHSXEESVSA-N -1 3 321.358 0.361 20 30 DCEDHM CC(C)n1ncc2cc(C(=O)N[C@H]3CCN([O-])C3=O)cnc21 ZINC001641378967 1171913326 /nfs/dbraw/zinc/91/33/26/1171913326.db2.gz LDZJKUYTOIHSRB-NSHDSACASA-N -1 3 303.322 0.732 20 30 DCEDHM C=CCn1c(SC[C@](O)(C(N)=O)c2ccccc2)n[n-]c1=O ZINC001643787145 1171986302 /nfs/dbraw/zinc/98/63/02/1171986302.db2.gz LJTLQSDACVMHLF-CQSZACIVSA-N -1 3 320.374 0.635 20 30 DCEDHM CCN1CCN(c2nnc(-c3c[n-]c(=O)c(C#N)c3)n2C)CC1 ZINC001646672946 1172464433 /nfs/dbraw/zinc/46/44/33/1172464433.db2.gz RASGUDOMWUJUDU-UHFFFAOYSA-N -1 3 313.365 0.596 20 30 DCEDHM C#CCN1CCC(NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC001651235366 1173744269 /nfs/dbraw/zinc/74/42/69/1173744269.db2.gz KFTRPRWNUNVPIX-UHFFFAOYSA-N -1 3 304.306 0.523 20 30 DCEDHM N#C[C@]12CN(Cc3cc(F)ccc3[O-])C[C@H]1CS(=O)(=O)C2 ZINC001660116972 1173948317 /nfs/dbraw/zinc/94/83/17/1173948317.db2.gz JCQGARYMKBNBRI-SMDDNHRTSA-N -1 3 310.350 0.901 20 30 DCEDHM CC#CCCCC(=O)N1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001662675169 1174230374 /nfs/dbraw/zinc/23/03/74/1174230374.db2.gz GZDFCPYGECGBIT-LBPRGKRZSA-N -1 3 305.382 0.642 20 30 DCEDHM Cc1cc(NC(=O)NCCCc2c[n-][nH]c2=O)nn1CCC#N ZINC001675918245 1175404066 /nfs/dbraw/zinc/40/40/66/1175404066.db2.gz VJIWYSMATWYRKR-NSHDSACASA-N -1 3 317.353 0.739 20 30 DCEDHM COC(=O)Cc1cccc(NC(=O)N[C@H]2CCCN([O-])C2=O)n1 ZINC001676334111 1175436975 /nfs/dbraw/zinc/43/69/75/1175436975.db2.gz HBODIPZRVKFTHV-JTQLQIEISA-N -1 3 322.321 0.299 20 30 DCEDHM C=CCN(C)C[C@@H](O)CN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001677179782 1175546619 /nfs/dbraw/zinc/54/66/19/1175546619.db2.gz YVTBVBVYLBKQQF-SNVBAGLBSA-N -1 3 320.349 0.479 20 30 DCEDHM C#CCCCCC(=O)N[C@H](C)CN(C)C(=O)c1cnc[n-]c1=O ZINC001680035014 1175775276 /nfs/dbraw/zinc/77/52/76/1175775276.db2.gz AFDDNOOSUDMCBU-GFCCVEGCSA-N -1 3 318.377 0.953 20 30 DCEDHM C=CCN(C(=O)Nc1n[n-]nc1C(=O)NC1CC1)[C@H](C)COC ZINC001681141417 1175877218 /nfs/dbraw/zinc/87/72/18/1175877218.db2.gz LVEAUXVWOLNNLE-SECBINFHSA-N -1 3 322.369 0.752 20 30 DCEDHM C#CCCCC(=O)N[C@H]1CCCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001688586748 1176526816 /nfs/dbraw/zinc/52/68/16/1176526816.db2.gz SNWRNLCBMQJUMS-LBPRGKRZSA-N -1 3 316.361 0.707 20 30 DCEDHM C=C(C)[C@H](CC(=O)N[C@H]1C[C@H](NCc2n[nH]c(=O)[n-]2)C1)OCC ZINC001690278012 1177204389 /nfs/dbraw/zinc/20/43/89/1177204389.db2.gz SVLIDOGPTLJDQC-SRVKXCTJSA-N -1 3 323.397 0.618 20 30 DCEDHM C#CCNCc1cc(=O)[n-]c(CNC(=O)c2cc(F)c[nH]2)n1 ZINC001691907315 1177381712 /nfs/dbraw/zinc/38/17/12/1177381712.db2.gz JOBGKLQLFRXBJZ-UHFFFAOYSA-N -1 3 303.297 0.302 20 30 DCEDHM N#CCNCc1cc(=O)[n-]c(CNC(=O)c2nccs2)n1 ZINC001692136154 1177423920 /nfs/dbraw/zinc/42/39/20/1177423920.db2.gz MHUVXEXUDSIGKB-UHFFFAOYSA-N -1 3 304.335 0.182 20 30 DCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](C)CNCc1n[nH]c(=O)[n-]1 ZINC001698768333 1177643694 /nfs/dbraw/zinc/64/36/94/1177643694.db2.gz FSTBNFJSESETGH-GVXVVHGQSA-N -1 3 323.397 0.333 20 30 DCEDHM CC#CCN1CCC(CO)(NC(=O)c2ncccc2[O-])CC1 ZINC001700336309 1178587627 /nfs/dbraw/zinc/58/76/27/1178587627.db2.gz QUAHLBWNMLONDH-UHFFFAOYSA-N -1 3 303.362 0.367 20 30 DCEDHM C=CC(C)(C)CC(=O)N1C[C@@H](NCc2nc(=O)n(C)[n-]2)C[C@@H]1C ZINC001700842575 1178774486 /nfs/dbraw/zinc/77/44/86/1178774486.db2.gz AWAHRHKTHJFUFY-RYUDHWBXSA-N -1 3 321.425 0.790 20 30 DCEDHM C[C@H](CNC(=O)c1cnc[n-]c1=O)N(C)C(=O)C#CC1CC1 ZINC001701200963 1178954649 /nfs/dbraw/zinc/95/46/49/1178954649.db2.gz NKVIQHIUMIAGBC-SNVBAGLBSA-N -1 3 302.334 0.172 20 30 DCEDHM C#CCCCC(=O)NCc1cc(=O)[n-]c(CNC(=O)C(C)C)n1 ZINC001702603997 1179230103 /nfs/dbraw/zinc/23/01/03/1179230103.db2.gz IGVYULCUBWFYMJ-UHFFFAOYSA-N -1 3 318.377 0.874 20 30 DCEDHM C#CCCCCC(=O)N[C@H]1C[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001703907426 1179714526 /nfs/dbraw/zinc/71/45/26/1179714526.db2.gz BQHKPVFTNFAOBB-HAQNSBGRSA-N -1 3 316.361 0.753 20 30 DCEDHM CC(C)C#CC(=O)N[C@]1(C)CCN(C(=O)c2cnc[n-]c2=O)C1 ZINC001705393778 1180372130 /nfs/dbraw/zinc/37/21/30/1180372130.db2.gz NALNGDYZLHMPOH-MRXNPFEDSA-N -1 3 316.361 0.562 20 30 DCEDHM C=C1CC(C)(C(=O)NC[C@H]2C[C@@H](NCc3nc(=O)n(C)[n-]3)C2)C1 ZINC001707070646 1180410233 /nfs/dbraw/zinc/41/02/33/1180410233.db2.gz HHTQKPDTAWGQTG-TXEJJXNPSA-N -1 3 319.409 0.449 20 30 DCEDHM CC#CCN(C)CCOCCN(C)C(=O)c1n[nH]c(C)c1[O-] ZINC001707226758 1180441439 /nfs/dbraw/zinc/44/14/39/1180441439.db2.gz ZBCXEIUFIBMFMX-UHFFFAOYSA-N -1 3 308.382 0.467 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)N1CCCC[C@H]1[C@H](C)NCC#N ZINC001707446356 1180513333 /nfs/dbraw/zinc/51/33/33/1180513333.db2.gz VMLRRENNZZVUCR-JQWIXIFHSA-N -1 3 303.366 0.987 20 30 DCEDHM O=C(C#CC1CC1)N[C@@H]1CCC[C@@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001714397654 1181349046 /nfs/dbraw/zinc/34/90/46/1181349046.db2.gz OOSTVGBKJVQDRP-VXGBXAGGSA-N -1 3 303.366 0.441 20 30 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C=C(C)CN(CC)C(=O)Cn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001588426411 1166554195 /nfs/dbraw/zinc/55/41/95/1166554195.db2.gz WBRBSBKPTNCPKU-UHFFFAOYSA-N -1 3 314.353 0.668 20 30 DCEDHM C=C(C)CN(CC)C(=O)Cn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001588426411 1166554206 /nfs/dbraw/zinc/55/42/06/1166554206.db2.gz WBRBSBKPTNCPKU-UHFFFAOYSA-N -1 3 314.353 0.668 20 30 DCEDHM C=C[C@](C)(O)CC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588501076 1166557287 /nfs/dbraw/zinc/55/72/87/1166557287.db2.gz JEWOPVXWTYCAAF-BBRMVZONSA-N -1 3 313.361 0.777 20 30 DCEDHM C=C[C@](C)(O)CC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588501076 1166557295 /nfs/dbraw/zinc/55/72/95/1166557295.db2.gz JEWOPVXWTYCAAF-BBRMVZONSA-N -1 3 313.361 0.777 20 30 DCEDHM C=CC[C@H](CO)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588545456 1166559631 /nfs/dbraw/zinc/55/96/31/1166559631.db2.gz HCXWETCQATXTRJ-LLVKDONJSA-N -1 3 303.322 0.299 20 30 DCEDHM C=CC[C@H](CO)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588545456 1166559639 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C=CCC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)cn2C)CC1 ZINC001588557341 1166563753 /nfs/dbraw/zinc/56/37/53/1166563753.db2.gz MDZTWZIZWYIOEH-UHFFFAOYSA-N -1 3 316.365 0.748 20 30 DCEDHM C=CCN1CC[C@@H](N(C)Cc2ccnc(-c3nnn[n-]3)c2)C1=O ZINC001588654568 1166574134 /nfs/dbraw/zinc/57/41/34/1166574134.db2.gz JZUPZSQPQOVBPU-CYBMUJFWSA-N -1 3 313.365 0.480 20 30 DCEDHM C=CCN1CC[C@@H](N(C)Cc2ccnc(-c3nn[n-]n3)c2)C1=O ZINC001588654568 1166574137 /nfs/dbraw/zinc/57/41/37/1166574137.db2.gz JZUPZSQPQOVBPU-CYBMUJFWSA-N -1 3 313.365 0.480 20 30 DCEDHM C=CCOCCNC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588683237 1166578928 /nfs/dbraw/zinc/57/89/28/1166578928.db2.gz PKKSTXDOWRTLKW-UHFFFAOYSA-N -1 3 303.322 0.808 20 30 DCEDHM C=CCOCCNC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588683237 1166578937 /nfs/dbraw/zinc/57/89/37/1166578937.db2.gz PKKSTXDOWRTLKW-UHFFFAOYSA-N -1 3 303.322 0.808 20 30 DCEDHM C=CCO[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001588665166 1166579261 /nfs/dbraw/zinc/57/92/61/1166579261.db2.gz GTCVFBCJIIKDIN-SNVBAGLBSA-N -1 3 317.309 0.951 20 30 DCEDHM C=CCO[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001588665166 1166579267 /nfs/dbraw/zinc/57/92/67/1166579267.db2.gz GTCVFBCJIIKDIN-SNVBAGLBSA-N -1 3 317.309 0.951 20 30 DCEDHM C[C@@H](C#N)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588928519 1166617637 /nfs/dbraw/zinc/61/76/37/1166617637.db2.gz DJUXUHWUJDPZBG-GXSJLCMTSA-N -1 3 312.337 0.434 20 30 DCEDHM C[C@@H](C#N)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588928519 1166617645 /nfs/dbraw/zinc/61/76/45/1166617645.db2.gz DJUXUHWUJDPZBG-GXSJLCMTSA-N -1 3 312.337 0.434 20 30 DCEDHM CC(C)[C@@H](C#N)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001589762300 1166683969 /nfs/dbraw/zinc/68/39/69/1166683969.db2.gz SWBBGDDTKMKWIX-LLVKDONJSA-N -1 3 306.351 0.693 20 30 DCEDHM C[C@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCC#CCO ZINC001590044185 1166759239 /nfs/dbraw/zinc/75/92/39/1166759239.db2.gz PFESIPWJAZNVNR-LLVKDONJSA-N -1 3 314.349 0.565 20 30 DCEDHM 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CCn1nncc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001590973247 1167063714 /nfs/dbraw/zinc/06/37/14/1167063714.db2.gz WKXURNNNPMRURL-UHFFFAOYSA-N -1 3 309.293 0.602 20 30 DCEDHM CN(CC(C)(CO)CO)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591044684 1167091861 /nfs/dbraw/zinc/09/18/61/1167091861.db2.gz NOGCGXCNFYYQNT-UHFFFAOYSA-N -1 3 302.338 0.165 20 30 DCEDHM CN(CC(C)(CO)CO)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591044684 1167091865 /nfs/dbraw/zinc/09/18/65/1167091865.db2.gz NOGCGXCNFYYQNT-UHFFFAOYSA-N -1 3 302.338 0.165 20 30 DCEDHM COC(=O)CCN(CC#N)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591264153 1167186551 /nfs/dbraw/zinc/18/65/51/1167186551.db2.gz AHERBLJWLWYHBA-UHFFFAOYSA-N -1 3 300.322 0.755 20 30 DCEDHM COC(=O)CCN(CC#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591264153 1167186554 /nfs/dbraw/zinc/18/65/54/1167186554.db2.gz AHERBLJWLWYHBA-UHFFFAOYSA-N -1 3 300.322 0.755 20 30 DCEDHM COC(=O)c1cnoc1Cn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001591305849 1167205473 /nfs/dbraw/zinc/20/54/73/1167205473.db2.gz JCJSCUAVFOXUKL-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/58/79/45/1166587945.db2.gz QSRPSRWABFGZOB-GFCCVEGCSA-N -1 3 320.378 0.367 20 30 DCEDHM C[C@@H](C#N)C(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001588928644 1166618905 /nfs/dbraw/zinc/61/89/05/1166618905.db2.gz UVAWRAGZJZDSFM-VHSXEESVSA-N -1 3 312.337 0.434 20 30 DCEDHM C[C@@H](C#N)C(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001588928644 1166618909 /nfs/dbraw/zinc/61/89/09/1166618909.db2.gz UVAWRAGZJZDSFM-VHSXEESVSA-N -1 3 312.337 0.434 20 30 DCEDHM C[C@@H](C#N)C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588929246 1166618975 /nfs/dbraw/zinc/61/89/75/1166618975.db2.gz RTTNZOKDVZBFPA-ZMWSMAPVSA-N -1 3 312.337 0.506 20 30 DCEDHM C[C@@H](C#N)C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588929246 1166618976 /nfs/dbraw/zinc/61/89/76/1166618976.db2.gz RTTNZOKDVZBFPA-ZMWSMAPVSA-N -1 3 312.337 0.506 20 30 DCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588930621 1166618999 /nfs/dbraw/zinc/61/89/99/1166618999.db2.gz AXPZNOPSSBSBBG-JTQLQIEISA-N -1 3 320.378 0.788 20 30 DCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588930621 1166619003 /nfs/dbraw/zinc/61/90/03/1166619003.db2.gz AXPZNOPSSBSBBG-JTQLQIEISA-N -1 3 320.378 0.788 20 30 DCEDHM C[C@H](CC#N)NC[C@@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001589786814 1166688585 /nfs/dbraw/zinc/68/85/85/1166688585.db2.gz DTXGWJJMGISMMQ-GHMZBOCLSA-N -1 3 302.338 0.498 20 30 DCEDHM C[C@H](CC#N)NC[C@@H](O)COc1ccccc1-c1nn[n-]n1 ZINC001589786814 1166688590 /nfs/dbraw/zinc/68/85/90/1166688590.db2.gz DTXGWJJMGISMMQ-GHMZBOCLSA-N -1 3 302.338 0.498 20 30 DCEDHM CC1(C)C[C@]1(C#N)NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590084453 1166770545 /nfs/dbraw/zinc/77/05/45/1166770545.db2.gz FMXZTCMBQUTUBY-IAQYHMDHSA-N -1 3 312.333 0.709 20 30 DCEDHM CC1(C)C[C@]1(C#N)NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590084453 1166770552 /nfs/dbraw/zinc/77/05/52/1166770552.db2.gz FMXZTCMBQUTUBY-IAQYHMDHSA-N -1 3 312.333 0.709 20 30 DCEDHM C[C@]1(CNCC#N)CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001590132468 1166786211 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CN(C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001591012546 1167078285 /nfs/dbraw/zinc/07/82/85/1167078285.db2.gz URFRGGUMZWVKJV-CQSZACIVSA-N -1 3 317.328 0.579 20 30 DCEDHM CN(C)C[C@@](C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001591012546 1167078290 /nfs/dbraw/zinc/07/82/90/1167078290.db2.gz URFRGGUMZWVKJV-CQSZACIVSA-N -1 3 317.328 0.579 20 30 DCEDHM CN(CC#N)C[C@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001591037689 1167089669 /nfs/dbraw/zinc/08/96/69/1167089669.db2.gz SUPPNOUHUSVQOD-SNVBAGLBSA-N -1 3 314.353 0.255 20 30 DCEDHM CN(CC#N)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591037689 1167089672 /nfs/dbraw/zinc/08/96/72/1167089672.db2.gz SUPPNOUHUSVQOD-SNVBAGLBSA-N -1 3 314.353 0.255 20 30 DCEDHM COCC#CCN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001591362004 1167235651 /nfs/dbraw/zinc/23/56/51/1167235651.db2.gz QOYJJPXUXYEAGQ-UHFFFAOYSA-N -1 3 313.365 0.034 20 30 DCEDHM COCCSCCCn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001591447005 1167289817 /nfs/dbraw/zinc/28/98/17/1167289817.db2.gz BXRODWPIHPEOIW-UHFFFAOYSA-N -1 3 308.371 0.287 20 30 DCEDHM COCCSCCCn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001591447005 1167289822 /nfs/dbraw/zinc/28/98/22/1167289822.db2.gz BXRODWPIHPEOIW-UHFFFAOYSA-N -1 3 308.371 0.287 20 30 DCEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)Nc1ccn(CCC#N)n1 ZINC001591784908 1167381308 /nfs/dbraw/zinc/38/13/08/1167381308.db2.gz FGRUVMZFDFWXIY-UHFFFAOYSA-N -1 3 311.309 0.866 20 30 DCEDHM Cc1nnc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)[nH]1 ZINC001592326977 1167489209 /nfs/dbraw/zinc/48/92/09/1167489209.db2.gz SNHKVHOVJMODLG-UHFFFAOYSA-N -1 3 314.338 0.434 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)N1CCCC[C@H]1C ZINC001592341444 1167495861 /nfs/dbraw/zinc/49/58/61/1167495861.db2.gz YOHXPJXYUJWRDP-SECBINFHSA-N -1 3 314.353 0.644 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)N1CCCC[C@H]1C ZINC001592341444 1167495862 /nfs/dbraw/zinc/49/58/62/1167495862.db2.gz YOHXPJXYUJWRDP-SECBINFHSA-N -1 3 314.353 0.644 20 30 DCEDHM N#CC1(C(=O)NCc2ccc(-c3nnn[n-]3)cn2)CCOCC1 ZINC001592669344 1167592423 /nfs/dbraw/zinc/59/24/23/1167592423.db2.gz OWRJVAUCMYYECQ-UHFFFAOYSA-N -1 3 313.321 0.198 20 30 DCEDHM N#CC1(C(=O)NCc2ccc(-c3nn[n-]n3)cn2)CCOCC1 ZINC001592669344 1167592428 /nfs/dbraw/zinc/59/24/28/1167592428.db2.gz OWRJVAUCMYYECQ-UHFFFAOYSA-N -1 3 313.321 0.198 20 30 DCEDHM N#CC1(COC(=O)COc2ccccc2-c2nnn[n-]2)COC1 ZINC001592668882 1167592714 /nfs/dbraw/zinc/59/27/14/1167592714.db2.gz BDSQESVCICUJHW-UHFFFAOYSA-N -1 3 315.289 0.329 20 30 DCEDHM N#CC1(COC(=O)COc2ccccc2-c2nn[n-]n2)COC1 ZINC001592668882 1167592722 /nfs/dbraw/zinc/59/27/22/1167592722.db2.gz BDSQESVCICUJHW-UHFFFAOYSA-N -1 3 315.289 0.329 20 30 DCEDHM N#C[C@@]1(F)CCN(C(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)C1 ZINC001592670771 1167594241 /nfs/dbraw/zinc/59/42/41/1167594241.db2.gz NTHIPAMEUZNEAF-LBPRGKRZSA-N -1 3 321.703 0.993 20 30 DCEDHM N#Cc1ccc(CNC(=O)c2cnccc2-c2nnn[n-]2)nc1 ZINC001592693290 1167601602 /nfs/dbraw/zinc/60/16/02/1167601602.db2.gz RHEHORUWNGBNLJ-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM N#Cc1ccc(CNC(=O)c2cnccc2-c2nn[n-]n2)nc1 ZINC001592693290 1167601606 /nfs/dbraw/zinc/60/16/06/1167601606.db2.gz RHEHORUWNGBNLJ-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM N#Cc1ccc(NC(=O)c2cc3n(n2)CCO3)cc1-c1nnn[n-]1 ZINC001592695050 1167603078 /nfs/dbraw/zinc/60/30/78/1167603078.db2.gz AKNXKUKNRLHUOL-UHFFFAOYSA-N -1 3 322.288 0.580 20 30 DCEDHM N#Cc1ccc(NC(=O)c2cc3n(n2)CCO3)cc1-c1nn[n-]n1 ZINC001592695050 1167603080 /nfs/dbraw/zinc/60/30/80/1167603080.db2.gz AKNXKUKNRLHUOL-UHFFFAOYSA-N -1 3 322.288 0.580 20 30 DCEDHM N#Cc1nc(N)n(C[C@H]2CCC3(CCC3)CO2)c1-c1nnn[n-]1 ZINC001592705995 1167607307 /nfs/dbraw/zinc/60/73/07/1167607307.db2.gz LXGCWQJQRAKLDP-SECBINFHSA-N -1 3 314.353 0.866 20 30 DCEDHM N#Cc1nc(N)n(C[C@H]2CCC3(CCC3)CO2)c1-c1nn[n-]n1 ZINC001592705995 1167607310 /nfs/dbraw/zinc/60/73/10/1167607310.db2.gz LXGCWQJQRAKLDP-SECBINFHSA-N -1 3 314.353 0.866 20 30 DCEDHM N#Cc1nc(N)n(CCOCC(F)(F)F)c1-c1nnn[n-]1 ZINC001592706020 1167607939 /nfs/dbraw/zinc/60/79/39/1167607939.db2.gz MANPRHGRTUWMDK-UHFFFAOYSA-N -1 3 302.220 0.096 20 30 DCEDHM N#Cc1nc(N)n(CCOCC(F)(F)F)c1-c1nn[n-]n1 ZINC001592706020 1167607942 /nfs/dbraw/zinc/60/79/42/1167607942.db2.gz MANPRHGRTUWMDK-UHFFFAOYSA-N -1 3 302.220 0.096 20 30 DCEDHM N#C[C@@H]1CNCC12CC(C(=O)N(CC(=O)[O-])C1CCOCC1)C2 ZINC001601062135 1168579923 /nfs/dbraw/zinc/57/99/23/1168579923.db2.gz ADOZINYCYWVYBK-BWBHSNQOSA-N -1 3 321.377 0.218 20 30 DCEDHM N#Cc1ccc(OC[C@H](O)CN2CCN(CC(=O)[O-])CC2)cc1 ZINC001601110476 1168586928 /nfs/dbraw/zinc/58/69/28/1168586928.db2.gz ZLRUNONXKBZUEF-CQSZACIVSA-N -1 3 319.361 0.000 20 30 DCEDHM C#CCNC(=O)CN1CCN(C[C@@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC001602725516 1169173409 /nfs/dbraw/zinc/17/34/09/1169173409.db2.gz WONZVORIXHHNIG-LSDHHAIUSA-N -1 3 321.421 0.244 20 30 DCEDHM C#CCO[C@H](C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001602727767 1169174692 /nfs/dbraw/zinc/17/46/92/1169174692.db2.gz RPDHABXBBJBKDV-LLVKDONJSA-N -1 3 315.333 0.400 20 30 DCEDHM C=C(C)C[C@H](CO)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602752968 1169179056 /nfs/dbraw/zinc/17/90/56/1169179056.db2.gz JFFGKBGOGJPFRC-CYBMUJFWSA-N -1 3 301.350 0.853 20 30 DCEDHM C=C(C)C[C@H](CO)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602752968 1169179064 /nfs/dbraw/zinc/17/90/64/1169179064.db2.gz JFFGKBGOGJPFRC-CYBMUJFWSA-N -1 3 301.350 0.853 20 30 DCEDHM C=C(C)CCN1CC(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)C1 ZINC001602760840 1169181006 /nfs/dbraw/zinc/18/10/06/1169181006.db2.gz IFQPUMBPAWAKSP-LSDHHAIUSA-N -1 3 321.421 0.502 20 30 DCEDHM CC(=NNS(=O)(=O)C(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602908230 1169201465 /nfs/dbraw/zinc/20/14/65/1169201465.db2.gz PINMDBQWCJKICO-UHFFFAOYSA-N -1 3 308.367 0.919 20 30 DCEDHM CC(=NNS(=O)(=O)C(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602908230 1169201470 /nfs/dbraw/zinc/20/14/70/1169201470.db2.gz PINMDBQWCJKICO-UHFFFAOYSA-N -1 3 308.367 0.919 20 30 DCEDHM C[C@H](C#N)CN(C)C(=O)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001602984094 1169226002 /nfs/dbraw/zinc/22/60/02/1169226002.db2.gz RZORCOGKEAOACL-SSDOTTSWSA-N -1 3 319.350 0.485 20 30 DCEDHM C[C@H](C#N)CN(C)C(=O)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001602984094 1169226010 /nfs/dbraw/zinc/22/60/10/1169226010.db2.gz RZORCOGKEAOACL-SSDOTTSWSA-N -1 3 319.350 0.485 20 30 DCEDHM C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602984353 1169227324 /nfs/dbraw/zinc/22/73/24/1169227324.db2.gz XGEZSJFNVKQANT-SSDOTTSWSA-N -1 3 317.284 0.220 20 30 DCEDHM C[C@H](C#N)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602984353 1169227330 /nfs/dbraw/zinc/22/73/30/1169227330.db2.gz XGEZSJFNVKQANT-SSDOTTSWSA-N -1 3 317.284 0.220 20 30 DCEDHM CC(C)(C(=O)NCC#CCO)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001603043572 1169238442 /nfs/dbraw/zinc/23/84/42/1169238442.db2.gz VPISPLHPWXJAHQ-UHFFFAOYSA-N -1 3 317.324 0.395 20 30 DCEDHM CC(C)(C(=O)NCC#CCO)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001603043572 1169238444 /nfs/dbraw/zinc/23/84/44/1169238444.db2.gz VPISPLHPWXJAHQ-UHFFFAOYSA-N -1 3 317.324 0.395 20 30 DCEDHM C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001603154607 1169259189 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CC#CCCNS(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1 ZINC001588745684 1166584295 /nfs/dbraw/zinc/58/42/95/1166584295.db2.gz BAQRGFYQSDDIOM-UHFFFAOYSA-N -1 3 305.363 0.867 20 30 DCEDHM CC(=O)N1CC(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)C1 ZINC001588806989 1166593010 /nfs/dbraw/zinc/59/30/10/1166593010.db2.gz RXRYPTHWJYIBQQ-UHFFFAOYSA-N -1 3 311.305 0.155 20 30 DCEDHM CC(=O)N1CC(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)C1 ZINC001588806989 1166593016 /nfs/dbraw/zinc/59/30/16/1166593016.db2.gz RXRYPTHWJYIBQQ-UHFFFAOYSA-N -1 3 311.305 0.155 20 30 DCEDHM CC(=O)c1ccc(-c2nnn[n-]2)cc1NCCn1cnc(C#N)n1 ZINC001588910637 1166616299 /nfs/dbraw/zinc/61/62/99/1166616299.db2.gz ZBZYYTIILPYUPQ-UHFFFAOYSA-N -1 3 323.320 0.645 20 30 DCEDHM CC(=O)c1ccc(-c2nn[n-]n2)cc1NCCn1cnc(C#N)n1 ZINC001588910637 1166616305 /nfs/dbraw/zinc/61/63/05/1166616305.db2.gz ZBZYYTIILPYUPQ-UHFFFAOYSA-N -1 3 323.320 0.645 20 30 DCEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CC[C@](O)(CC#N)C2)c1 ZINC001588900725 1166616864 /nfs/dbraw/zinc/61/68/64/1166616864.db2.gz DPAXMHHVYJVQCI-OAHLLOKOSA-N -1 3 312.333 0.924 20 30 DCEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CC[C@](O)(CC#N)C2)c1 ZINC001588900725 1166616870 /nfs/dbraw/zinc/61/68/70/1166616870.db2.gz DPAXMHHVYJVQCI-OAHLLOKOSA-N -1 3 312.333 0.924 20 30 DCEDHM CC(C)(C#N)CC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC001589033715 1166630325 /nfs/dbraw/zinc/63/03/25/1166630325.db2.gz JAPCHQLTIYYVHM-UHFFFAOYSA-N -1 3 314.353 0.730 20 30 DCEDHM CC(C)(C#N)CC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC001589033715 1166630328 /nfs/dbraw/zinc/63/03/28/1166630328.db2.gz JAPCHQLTIYYVHM-UHFFFAOYSA-N -1 3 314.353 0.730 20 30 DCEDHM CC(C)(C(=O)N[C@@H](C#N)CO)c1ccc(-c2nnn[n-]2)cc1 ZINC001589044775 1166633811 /nfs/dbraw/zinc/63/38/11/1166633811.db2.gz XNVFRDDZMGVPPM-NSHDSACASA-N -1 3 300.322 0.145 20 30 DCEDHM CC(C)(C(=O)N[C@@H](C#N)CO)c1ccc(-c2nn[n-]n2)cc1 ZINC001589044775 1166633816 /nfs/dbraw/zinc/63/38/16/1166633816.db2.gz XNVFRDDZMGVPPM-NSHDSACASA-N -1 3 300.322 0.145 20 30 DCEDHM CC(C)(CO)CNN=C1c2ccc(-c3nnn[n-]3)cc2NC1=O ZINC001589293481 1166645597 /nfs/dbraw/zinc/64/55/97/1166645597.db2.gz GGTDWANCCCTQJN-UHFFFAOYSA-N -1 3 315.337 0.131 20 30 DCEDHM CC(C)(CO)CNN=C1c2ccc(-c3nn[n-]n3)cc2NC1=O ZINC001589293481 1166645602 /nfs/dbraw/zinc/64/56/02/1166645602.db2.gz GGTDWANCCCTQJN-UHFFFAOYSA-N -1 3 315.337 0.131 20 30 DCEDHM CC(C)C[C@@H](C#N)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589536918 1166665612 /nfs/dbraw/zinc/66/56/12/1166665612.db2.gz JKEUUDBTIAHJJM-JTQLQIEISA-N -1 3 321.366 0.478 20 30 DCEDHM CC(C)C[C@@H](C#N)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589536918 1166665614 /nfs/dbraw/zinc/66/56/14/1166665614.db2.gz JKEUUDBTIAHJJM-JTQLQIEISA-N -1 3 321.366 0.478 20 30 DCEDHM C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001589787237 1166687660 /nfs/dbraw/zinc/68/76/60/1166687660.db2.gz IGVQPIJXBGXJGQ-MRVPVSSYSA-N -1 3 307.339 0.184 20 30 DCEDHM C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001589787237 1166687670 /nfs/dbraw/zinc/68/76/70/1166687670.db2.gz IGVQPIJXBGXJGQ-MRVPVSSYSA-N -1 3 307.339 0.184 20 30 DCEDHM C[C@]1(C#N)CN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001590056690 1166763175 /nfs/dbraw/zinc/76/31/75/1166763175.db2.gz RACRNBKVOIXWIY-HIFRSBDPSA-N -1 3 314.349 0.515 20 30 DCEDHM C[C@]1(C#N)CN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001590056690 1166763179 /nfs/dbraw/zinc/76/31/79/1166763179.db2.gz RACRNBKVOIXWIY-HIFRSBDPSA-N -1 3 314.349 0.515 20 30 DCEDHM C[C@@]1(C#N)CN(C(=O)c2cscc2-c2nnn[n-]2)CCO1 ZINC001590056628 1166763387 /nfs/dbraw/zinc/76/33/87/1166763387.db2.gz OKEUPMWJNIJRBW-GFCCVEGCSA-N -1 3 304.335 0.683 20 30 DCEDHM C[C@@]1(C#N)CN(C(=O)c2cscc2-c2nn[n-]n2)CCO1 ZINC001590056628 1166763391 /nfs/dbraw/zinc/76/33/91/1166763391.db2.gz OKEUPMWJNIJRBW-GFCCVEGCSA-N -1 3 304.335 0.683 20 30 DCEDHM CCN(CC(=O)NCc1cccc(-c2nnn[n-]2)c1)[C@@H](C)C#N ZINC001590681771 1166971768 /nfs/dbraw/zinc/97/17/68/1166971768.db2.gz MLOUSAHWWADQNL-NSHDSACASA-N -1 3 313.365 0.717 20 30 DCEDHM CCN(CC(=O)NCc1cccc(-c2nn[n-]n2)c1)[C@@H](C)C#N ZINC001590681771 1166971775 /nfs/dbraw/zinc/97/17/75/1166971775.db2.gz MLOUSAHWWADQNL-NSHDSACASA-N -1 3 313.365 0.717 20 30 DCEDHM COC(=O)[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@H]1C ZINC001591278577 1167195409 /nfs/dbraw/zinc/19/54/09/1167195409.db2.gz XGFXMXFRHAAKOX-BXKDBHETSA-N -1 3 312.333 0.984 20 30 DCEDHM COC(=O)[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@H]1C ZINC001591278577 1167195411 /nfs/dbraw/zinc/19/54/11/1167195411.db2.gz XGFXMXFRHAAKOX-BXKDBHETSA-N -1 3 312.333 0.984 20 30 DCEDHM COCC[C@](C)(C#N)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001591397461 1167266847 /nfs/dbraw/zinc/26/68/47/1167266847.db2.gz MRWQVNABXQLWTG-CQSZACIVSA-N -1 3 300.322 0.915 20 30 DCEDHM COCC[C@](C)(C#N)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001591397461 1167266853 /nfs/dbraw/zinc/26/68/53/1167266853.db2.gz MRWQVNABXQLWTG-CQSZACIVSA-N -1 3 300.322 0.915 20 30 DCEDHM COCCN(CC#N)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001591421598 1167278841 /nfs/dbraw/zinc/27/88/41/1167278841.db2.gz DPGKPGAQIJUZGP-UHFFFAOYSA-N -1 3 317.309 0.747 20 30 DCEDHM COCCN(CC#N)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001591421598 1167278846 /nfs/dbraw/zinc/27/88/46/1167278846.db2.gz DPGKPGAQIJUZGP-UHFFFAOYSA-N -1 3 317.309 0.747 20 30 DCEDHM COc1cc(C#N)ccc1C(=O)Nc1ccncc1-c1nnn[n-]1 ZINC001591506240 1167315974 /nfs/dbraw/zinc/31/59/74/1167315974.db2.gz DORRWBBOQIJZPR-UHFFFAOYSA-N -1 3 321.300 0.816 20 30 DCEDHM COc1cc(C#N)ccc1C(=O)Nc1ccncc1-c1nn[n-]n1 ZINC001591506240 1167315976 /nfs/dbraw/zinc/31/59/76/1167315976.db2.gz DORRWBBOQIJZPR-UHFFFAOYSA-N -1 3 321.300 0.816 20 30 DCEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N1CCSC[C@@H]1C#N ZINC001591876046 1167407819 /nfs/dbraw/zinc/40/78/19/1167407819.db2.gz KUEIRSUAIBBNHC-JTQLQIEISA-N -1 3 315.362 0.651 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N1CCSC[C@@H]1C#N ZINC001591876046 1167407821 /nfs/dbraw/zinc/40/78/21/1167407821.db2.gz KUEIRSUAIBBNHC-JTQLQIEISA-N -1 3 315.362 0.651 20 30 DCEDHM Cc1nc(C(=O)NCc2ccc(C#N)cn2)ccc1-c1nnn[n-]1 ZINC001592349387 1167501297 /nfs/dbraw/zinc/50/12/97/1167501297.db2.gz NEXHLGICSSXRMT-UHFFFAOYSA-N -1 3 320.316 0.767 20 30 DCEDHM Cc1nc(C(=O)NCc2ccc(C#N)cn2)ccc1-c1nn[n-]n1 ZINC001592349387 1167501303 /nfs/dbraw/zinc/50/13/03/1167501303.db2.gz NEXHLGICSSXRMT-UHFFFAOYSA-N -1 3 320.316 0.767 20 30 DCEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC001592561673 1167563938 /nfs/dbraw/zinc/56/39/38/1167563938.db2.gz RVKSNNWAIMDOAD-UHFFFAOYSA-N -1 3 323.320 0.930 20 30 DCEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC001592561673 1167563942 /nfs/dbraw/zinc/56/39/42/1167563942.db2.gz RVKSNNWAIMDOAD-UHFFFAOYSA-N -1 3 323.320 0.930 20 30 DCEDHM N#C[C@]1(C(=O)OCc2ccncc2-c2nnn[n-]2)CCCOC1 ZINC001592666735 1167592115 /nfs/dbraw/zinc/59/21/15/1167592115.db2.gz KEYWWKPLHSZAPO-CQSZACIVSA-N -1 3 314.305 0.625 20 30 DCEDHM N#C[C@]1(C(=O)OCc2ccncc2-c2nn[n-]n2)CCCOC1 ZINC001592666735 1167592119 /nfs/dbraw/zinc/59/21/19/1167592119.db2.gz KEYWWKPLHSZAPO-CQSZACIVSA-N -1 3 314.305 0.625 20 30 DCEDHM N#CC1(CNS(=O)(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC001592669029 1167592308 /nfs/dbraw/zinc/59/23/08/1167592308.db2.gz DFYHKFUTHVYQCF-UHFFFAOYSA-N -1 3 304.335 0.449 20 30 DCEDHM N#CC1(CNS(=O)(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC001592669029 1167592310 /nfs/dbraw/zinc/59/23/10/1167592310.db2.gz DFYHKFUTHVYQCF-UHFFFAOYSA-N -1 3 304.335 0.449 20 30 DCEDHM N#CCN1CCN(C(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001592678370 1167598633 /nfs/dbraw/zinc/59/86/33/1167598633.db2.gz VVJXNQXLQPXQEZ-UHFFFAOYSA-N -1 3 315.312 0.287 20 30 DCEDHM N#CCN1CCN(C(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001592678370 1167598638 /nfs/dbraw/zinc/59/86/38/1167598638.db2.gz VVJXNQXLQPXQEZ-UHFFFAOYSA-N -1 3 315.312 0.287 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@H](n2cncn2)C1 ZINC001592698797 1167601966 /nfs/dbraw/zinc/60/19/66/1167601966.db2.gz IEOSNPWNLMYVHH-LLVKDONJSA-N -1 3 307.321 0.781 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@H](n2cncn2)C1 ZINC001592698797 1167601971 /nfs/dbraw/zinc/60/19/71/1167601971.db2.gz IEOSNPWNLMYVHH-LLVKDONJSA-N -1 3 307.321 0.781 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCO[C@H](C(=O)C2CC2)C1 ZINC001592698585 1167603051 /nfs/dbraw/zinc/60/30/51/1167603051.db2.gz DGEVHTQHGLIBFZ-ZDUSSCGKSA-N -1 3 324.344 0.923 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCO[C@H](C(=O)C2CC2)C1 ZINC001592698585 1167603053 /nfs/dbraw/zinc/60/30/53/1167603053.db2.gz DGEVHTQHGLIBFZ-ZDUSSCGKSA-N -1 3 324.344 0.923 20 30 DCEDHM N#Cc1ccncc1C(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001592701960 1167603766 /nfs/dbraw/zinc/60/37/66/1167603766.db2.gz DXTCTTROMWBFOZ-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM N#Cc1ccncc1C(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001592701960 1167603776 /nfs/dbraw/zinc/60/37/76/1167603776.db2.gz DXTCTTROMWBFOZ-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM N#Cc1nc(N[C@H]2CCn3ccnc3C2)cnc1-c1nnn[n-]1 ZINC001592708162 1167606794 /nfs/dbraw/zinc/60/67/94/1167606794.db2.gz XKNGDEAOFFPFMR-QMMMGPOBSA-N -1 3 308.309 0.152 20 30 DCEDHM N#Cc1nc(N[C@H]2CCn3ccnc3C2)cnc1-c1nn[n-]n1 ZINC001592708162 1167606795 /nfs/dbraw/zinc/60/67/95/1167606795.db2.gz 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ZINC001602697734 1169164745 /nfs/dbraw/zinc/16/47/45/1169164745.db2.gz QJJJZSYPWJVTCJ-QWHCGFSZSA-N -1 3 315.333 0.055 20 30 DCEDHM C#CC[C@@H](COC)NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602697734 1169164747 /nfs/dbraw/zinc/16/47/47/1169164747.db2.gz QJJJZSYPWJVTCJ-QWHCGFSZSA-N -1 3 315.333 0.055 20 30 DCEDHM C#CCCN(CCOC)C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001602712776 1169168720 /nfs/dbraw/zinc/16/87/20/1169168720.db2.gz STYHXMFBAUZVNB-UHFFFAOYSA-N -1 3 314.349 0.682 20 30 DCEDHM C#CCCN(CCOC)C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001602712776 1169168723 /nfs/dbraw/zinc/16/87/23/1169168723.db2.gz STYHXMFBAUZVNB-UHFFFAOYSA-N -1 3 314.349 0.682 20 30 DCEDHM C#CCN(CC#C)[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001602719961 1169170433 /nfs/dbraw/zinc/17/04/33/1169170433.db2.gz MFKLLCJNESCCAM-HNNXBMFYSA-N -1 3 320.356 0.540 20 30 DCEDHM C#CCN(CC#C)[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001602719961 1169170438 /nfs/dbraw/zinc/17/04/38/1169170438.db2.gz MFKLLCJNESCCAM-HNNXBMFYSA-N -1 3 320.356 0.540 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C#CCN(C)c1nnc(-c2nnc(Cl)[n-]2)n1C[C@H]1CCCO1 ZINC001343136448 953324054 /nfs/dbraw/zinc/32/40/54/953324054.db2.gz HUTLBRDVNNIQJK-SECBINFHSA-N -1 3 321.772 0.965 20 30 DCEDHM C#CCN(C)c1nnc(-c2n[n-]c(Cl)n2)n1C[C@H]1CCCO1 ZINC001343136448 953324057 /nfs/dbraw/zinc/32/40/57/953324057.db2.gz HUTLBRDVNNIQJK-SECBINFHSA-N -1 3 321.772 0.965 20 30 DCEDHM C=CCCC(=O)N1C[C@@H](NC(=O)c2cnc[n-]c2=O)[C@H](OC)C1 ZINC001281841466 953384682 /nfs/dbraw/zinc/38/46/82/953384682.db2.gz BEKCQMAWJODYHC-VXGBXAGGSA-N -1 3 320.349 0.104 20 30 DCEDHM C=CCC(C)(C)C(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H](O)C1 ZINC001282422050 953584251 /nfs/dbraw/zinc/58/42/51/953584251.db2.gz HFORACZRQWAJBV-CMPLNLGQSA-N -1 3 321.381 0.099 20 30 DCEDHM C[C@@H]1[C@@H](CCC(=O)N[C@H]2CCN([O-])C2=O)[C@H](C)Nc2ccnn21 ZINC001347088862 954021093 /nfs/dbraw/zinc/02/10/93/954021093.db2.gz IGIRRCSNEHSSQR-USZNOCQGSA-N -1 3 321.381 0.761 20 30 DCEDHM C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001349214199 954655491 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CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)C(=O)NC ZINC001361745917 958277902 /nfs/dbraw/zinc/27/79/02/958277902.db2.gz APLUHSWXNGBLSD-ZDUSSCGKSA-N -1 3 318.377 0.849 20 30 DCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)[N-]Cc1nc(C(F)F)no1 ZINC001463920932 1013180908 /nfs/dbraw/zinc/18/09/08/1013180908.db2.gz XUZFLFKYKIALDF-LURJTMIESA-N -1 3 309.298 0.576 20 30 DCEDHM C=C(Br)CN[C@H]1C[C@@H](NC(=O)CNC(=O)[O-])C1 ZINC001573320807 962750750 /nfs/dbraw/zinc/75/07/50/962750750.db2.gz FPHUVZGCESYGAY-OCAPTIKFSA-N -1 3 306.160 0.399 20 30 DCEDHM C=C(Cl)CNCC1(O)CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC001573344139 962912317 /nfs/dbraw/zinc/91/23/17/962912317.db2.gz PHWYTAKDXOVGKA-QWRGUYRKSA-N -1 3 316.785 0.403 20 30 DCEDHM N#CCCN(CCC#N)C(=O)CN1CCCC[C@H]1CC(=O)[O-] ZINC000386972161 968142113 /nfs/dbraw/zinc/14/21/13/968142113.db2.gz YORDIYMUOIEWBS-ZDUSSCGKSA-N -1 3 306.366 0.972 20 30 DCEDHM C=CCCO[C@@H](C)C(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC001523016562 1014521256 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C=CCCC(=O)N[C@H](CO)CNC(=O)c1cccc2n[n-]nc21 ZINC001510953487 1016088416 /nfs/dbraw/zinc/08/84/16/1016088416.db2.gz OADVFHBZEVCKGU-JTQLQIEISA-N -1 3 317.349 0.131 20 30 DCEDHM COc1cc(C#N)ccc1OCCN1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001599350328 998082544 /nfs/dbraw/zinc/08/25/44/998082544.db2.gz LVYCHPZJJCGGHP-CHWSQXEVSA-N -1 3 320.345 0.713 20 30 DCEDHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CC[C@H](CNCC#N)C1 ZINC001507403959 1016305573 /nfs/dbraw/zinc/30/55/73/1016305573.db2.gz QPBWRUJBKLVFFW-QWHCGFSZSA-N -1 3 317.393 0.821 20 30 DCEDHM C[C@@H](C#N)C(=O)NCc1nc(CNC(=O)C(C)(C)F)cc(=O)[n-]1 ZINC001426954775 1004135464 /nfs/dbraw/zinc/13/54/64/1004135464.db2.gz BWHOULZBSZGQJR-QMMMGPOBSA-N -1 3 323.328 0.322 20 30 DCEDHM C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)c1ccccc1[O-] ZINC001451808808 1006425595 /nfs/dbraw/zinc/42/55/95/1006425595.db2.gz JHGMJBCBFYLHPR-GHMZBOCLSA-N -1 3 305.334 0.101 20 30 DCEDHM Cc1cc(C#N)cnc1C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001455355424 1009682354 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N#Cc1ccc(S(=O)(=O)[N-]C2CCS(=O)CC2)c(F)c1 ZINC000541815810 416613365 /nfs/dbraw/zinc/61/33/65/416613365.db2.gz QZPXDDQNWYVMQP-UHFFFAOYSA-N -1 3 316.379 0.887 20 30 DCEDHM C#CCN(CC)C(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000490589949 416569638 /nfs/dbraw/zinc/56/96/38/416569638.db2.gz ISXNTYNYSGFMKH-UHFFFAOYSA-N -1 3 312.366 0.976 20 30 DCEDHM C#CCN1CCC(C(=O)NC2(c3nnn[n-]3)CCCC2)CC1 ZINC000490670031 416570601 /nfs/dbraw/zinc/57/06/01/416570601.db2.gz IZPSXQKPZBOBPS-UHFFFAOYSA-N -1 3 302.382 0.430 20 30 DCEDHM C#CCN1CCC(C(=O)NC2(c3nn[n-]n3)CCCC2)CC1 ZINC000490670031 416570604 /nfs/dbraw/zinc/57/06/04/416570604.db2.gz IZPSXQKPZBOBPS-UHFFFAOYSA-N -1 3 302.382 0.430 20 30 DCEDHM C[C@H]([N-]S(=O)(=O)Cc1cc(C#N)ccc1F)c1nc[nH]n1 ZINC000539757771 416581528 /nfs/dbraw/zinc/58/15/28/416581528.db2.gz DSKGCSQGTBWIQF-QMMMGPOBSA-N -1 3 309.326 0.996 20 30 DCEDHM C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428387211 416894036 /nfs/dbraw/zinc/89/40/36/416894036.db2.gz FOODCRKNEJSYJU-VIFPVBQESA-N -1 3 317.392 0.055 20 30 DCEDHM C=CCCn1cc(C[N-]S(=O)(=O)C[C@H](CC)OC)nn1 ZINC000632635251 417205314 /nfs/dbraw/zinc/20/53/14/417205314.db2.gz NLPOURJPPRTXAQ-LBPRGKRZSA-N -1 3 302.400 0.699 20 30 DCEDHM C=CCCn1cc(C[N-]S(=O)(=O)c2cn(C)nc2C)nn1 ZINC000632636036 417209155 /nfs/dbraw/zinc/20/91/55/417209155.db2.gz YHJTWEICULRCRN-UHFFFAOYSA-N -1 3 310.383 0.375 20 30 DCEDHM C=C[C@H](CO)NC(=O)c1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000290720405 335074747 /nfs/dbraw/zinc/07/47/47/335074747.db2.gz XPINCUKJBJOAHV-ABAIWWIYSA-N -1 3 303.318 0.018 20 30 DCEDHM C#Cc1ccccc1CC(=O)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000290790315 335075387 /nfs/dbraw/zinc/07/53/87/335075387.db2.gz DAUFPFSLPDMXQC-QGZVFWFLSA-N -1 3 311.341 0.411 20 30 DCEDHM C#C[C@H](NC(=O)C[N-]S(=O)(=O)c1ccccc1F)C(C)C ZINC000290820129 335075751 /nfs/dbraw/zinc/07/57/51/335075751.db2.gz GWEIHYKMXMKQRU-LBPRGKRZSA-N -1 3 312.366 0.878 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000657002462 418401150 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COC(=O)Nc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000495687203 272265197 /nfs/dbraw/zinc/26/51/97/272265197.db2.gz MZKWGOAKOIAQGW-NSHDSACASA-N -1 3 307.306 0.975 20 30 DCEDHM COC[C@H](CO)[N-]S(=O)(=O)Cc1ccc(F)cc1C#N ZINC000563551079 288685529 /nfs/dbraw/zinc/68/55/29/288685529.db2.gz XJZUYKVFCOUDSO-LBPRGKRZSA-N -1 3 302.327 0.124 20 30 DCEDHM N#Cc1ccc(N2CCN(C(=O)Cc3cncc([O-])c3)CC2)nc1 ZINC000563948188 288717187 /nfs/dbraw/zinc/71/71/87/288717187.db2.gz RHLCCGYDORFOCT-UHFFFAOYSA-N -1 3 323.356 0.945 20 30 DCEDHM CC(C)(C)OC(=O)[C@](C)(O)C[N-]S(=O)(=O)CCCC#N ZINC000361413986 336755958 /nfs/dbraw/zinc/75/59/58/336755958.db2.gz GOSFNKHKYMRVBY-GFCCVEGCSA-N -1 3 306.384 0.302 20 30 DCEDHM C#CCN(C(=O)c1cc(C)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000490914967 339843566 /nfs/dbraw/zinc/84/35/66/339843566.db2.gz KGBWJAHMKWEKCN-LBPRGKRZSA-N -1 3 307.371 0.963 20 30 DCEDHM C#CC[N-]S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000491125125 339850026 /nfs/dbraw/zinc/85/00/26/339850026.db2.gz BAKVHQCYMXAGJN-UHFFFAOYSA-N -1 3 302.739 0.116 20 30 DCEDHM N#CCCS(=O)(=O)[N-][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000569021416 341688529 /nfs/dbraw/zinc/68/85/29/341688529.db2.gz YKDNLRCULKZBKC-VXGBXAGGSA-N -1 3 302.396 0.530 20 30 DCEDHM C=C[C@H]([NH2+]CC[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC001602819008 1159785139 /nfs/dbraw/zinc/78/51/39/1159785139.db2.gz KBJOHJMWJIVUGR-ZETCQYMHSA-N -1 3 324.811 0.909 20 30 DCEDHM COCCOCC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000156777698 524010523 /nfs/dbraw/zinc/01/05/23/524010523.db2.gz HOBMCHHPXXWQCG-UHFFFAOYSA-N -1 3 302.327 0.639 20 30 DCEDHM C#CCCCS(=O)(=O)[N-][C@H]1CCN(c2cc(C)nn2C)C1=O ZINC000376328495 526721667 /nfs/dbraw/zinc/72/16/67/526721667.db2.gz STJVNLRFLCXGKX-LBPRGKRZSA-N -1 3 324.406 0.167 20 30 DCEDHM C=CCOC[C@H]([N-]S(=O)(=O)c1ccccn1)C(=O)OC ZINC000360595954 526810657 /nfs/dbraw/zinc/81/06/57/526810657.db2.gz GNSZPRSWQHYANI-JTQLQIEISA-N -1 3 300.336 0.104 20 30 DCEDHM CN(CCC#N)S(=O)(=O)[N-]CC(=O)c1c(F)cccc1F ZINC000425194247 536300384 /nfs/dbraw/zinc/30/03/84/536300384.db2.gz NJBDAMBWTRZXMX-UHFFFAOYSA-N -1 3 317.317 0.827 20 30 DCEDHM N#CCCn1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cn2)n1 ZINC000737695001 599260458 /nfs/dbraw/zinc/26/04/58/599260458.db2.gz SBJKIYAPMAXTKJ-UHFFFAOYSA-N -1 3 309.293 0.624 20 30 DCEDHM N#CCCn1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cn2)n1 ZINC000737695001 599260460 /nfs/dbraw/zinc/26/04/60/599260460.db2.gz SBJKIYAPMAXTKJ-UHFFFAOYSA-N -1 3 309.293 0.624 20 30 DCEDHM N#C[C@@H]1CN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000737678566 598362126 /nfs/dbraw/zinc/36/21/26/598362126.db2.gz JZGUJLQGCXOWPH-GFCCVEGCSA-N -1 3 313.321 0.030 20 30 DCEDHM Cc1oc(NC(=O)[C@H](C)N(C)CC#N)c(-c2nnn[n-]2)c1C ZINC000737547125 598524828 /nfs/dbraw/zinc/52/48/28/598524828.db2.gz HBSXNLKIQKAFIW-QMMMGPOBSA-N -1 3 303.326 0.859 20 30 DCEDHM N#CCOc1ccc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)cc1 ZINC000737698238 598531987 /nfs/dbraw/zinc/53/19/87/598531987.db2.gz VEIBOHSGZJWFIE-UHFFFAOYSA-N -1 3 321.304 0.468 20 30 DCEDHM N#CCOc1ccc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)cc1 ZINC000737698238 598531989 /nfs/dbraw/zinc/53/19/89/598531989.db2.gz VEIBOHSGZJWFIE-UHFFFAOYSA-N -1 3 321.304 0.468 20 30 DCEDHM C=CCN(CC(=O)NCC#N)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735416874 598538647 /nfs/dbraw/zinc/53/86/47/598538647.db2.gz SGYJZOHPQUTXCG-UHFFFAOYSA-N -1 3 311.349 0.494 20 30 DCEDHM CC(C)[C@H](C#N)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735689927 598689679 /nfs/dbraw/zinc/68/96/79/598689679.db2.gz FCEHNJSUKQIKHP-LBPRGKRZSA-N -1 3 300.322 0.910 20 30 DCEDHM N#C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CCN1C1CC1 ZINC000737679422 598755004 /nfs/dbraw/zinc/75/50/04/598755004.db2.gz QKQPDWVQKYKHBQ-CQSZACIVSA-N -1 3 323.360 0.679 20 30 DCEDHM N#C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CCN1C1CC1 ZINC000737679422 598755006 /nfs/dbraw/zinc/75/50/06/598755006.db2.gz QKQPDWVQKYKHBQ-CQSZACIVSA-N -1 3 323.360 0.679 20 30 DCEDHM COc1ccc(-c2nnn[n-]2)cc1CN1CCO[C@H](C#N)C1 ZINC000826183076 607527705 /nfs/dbraw/zinc/52/77/05/607527705.db2.gz CQEVHHXCLPHWEB-GFCCVEGCSA-N -1 3 300.322 0.600 20 30 DCEDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCO[C@H](C#N)C1 ZINC000826183076 607527707 /nfs/dbraw/zinc/52/77/07/607527707.db2.gz CQEVHHXCLPHWEB-GFCCVEGCSA-N -1 3 300.322 0.600 20 30 DCEDHM CC(N=Nc1nccn(C)c1=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819782576 606205219 /nfs/dbraw/zinc/20/52/19/606205219.db2.gz OEPJATOBCJOHOA-UHFFFAOYSA-N -1 3 310.321 0.797 20 30 DCEDHM CC(N=Nc1nccn(C)c1=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819782576 606205221 /nfs/dbraw/zinc/20/52/21/606205221.db2.gz OEPJATOBCJOHOA-UHFFFAOYSA-N -1 3 310.321 0.797 20 30 DCEDHM N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822806714 606333162 /nfs/dbraw/zinc/33/31/62/606333162.db2.gz RXCZHNOXSUCOAR-PWSUYJOCSA-N -1 3 318.362 0.837 20 30 DCEDHM N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822806714 606333164 /nfs/dbraw/zinc/33/31/64/606333164.db2.gz RXCZHNOXSUCOAR-PWSUYJOCSA-N -1 3 318.362 0.837 20 30 DCEDHM C#CCN(CC#C)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000819697388 606459166 /nfs/dbraw/zinc/45/91/66/606459166.db2.gz CTOZUYOHHNFEEO-GFCCVEGCSA-N -1 3 309.329 0.729 20 30 DCEDHM C#CCN(CC#C)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000819697388 606459167 /nfs/dbraw/zinc/45/91/67/606459167.db2.gz CTOZUYOHHNFEEO-GFCCVEGCSA-N -1 3 309.329 0.729 20 30 DCEDHM NC(=O)c1ccc(N=NCc2ccc(-c3nnn[n-]3)cc2)nn1 ZINC000822884848 606768746 /nfs/dbraw/zinc/76/87/46/606768746.db2.gz AYVVUDHUECVHQS-UHFFFAOYSA-N -1 3 309.293 0.202 20 30 DCEDHM NC(=O)c1ccc(N=NCc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000822884848 606768747 /nfs/dbraw/zinc/76/87/47/606768747.db2.gz AYVVUDHUECVHQS-UHFFFAOYSA-N -1 3 309.293 0.202 20 30 DCEDHM C=C[C@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000819730331 606837352 /nfs/dbraw/zinc/83/73/52/606837352.db2.gz WBIRKVBTWCPEDU-VIFPVBQESA-N -1 3 300.322 0.804 20 30 DCEDHM C=C[C@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000819730331 606837354 /nfs/dbraw/zinc/83/73/54/606837354.db2.gz WBIRKVBTWCPEDU-VIFPVBQESA-N -1 3 300.322 0.804 20 30 DCEDHM N#C[C@H]1COCCN1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822806897 606929178 /nfs/dbraw/zinc/92/91/78/606929178.db2.gz VDHGAGUTFOSERT-STQMWFEESA-N -1 3 300.322 0.124 20 30 DCEDHM N#C[C@H]1COCCN1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822806897 606929180 /nfs/dbraw/zinc/92/91/80/606929180.db2.gz VDHGAGUTFOSERT-STQMWFEESA-N -1 3 300.322 0.124 20 30 DCEDHM CN(CC#N)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825888212 607828061 /nfs/dbraw/zinc/82/80/61/607828061.db2.gz OWBNDJRBGXHVFR-UHFFFAOYSA-N -1 3 306.351 0.096 20 30 DCEDHM CN(CC#N)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825888212 607828062 /nfs/dbraw/zinc/82/80/62/607828062.db2.gz OWBNDJRBGXHVFR-UHFFFAOYSA-N -1 3 306.351 0.096 20 30 DCEDHM CC[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825038463 607880360 /nfs/dbraw/zinc/88/03/60/607880360.db2.gz CFUJSBHPVOENTI-JTQLQIEISA-N -1 3 306.351 0.756 20 30 DCEDHM CC[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825038463 607880361 /nfs/dbraw/zinc/88/03/61/607880361.db2.gz 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CCN(CCNc1ncccc1-c1nnn[n-]1)C(=O)[C@H](C)C#N ZINC001578158263 1164940123 /nfs/dbraw/zinc/94/01/23/1164940123.db2.gz TZPHLIRLYDSASS-SNVBAGLBSA-N -1 3 314.353 0.682 20 30 DCEDHM CCN(CCNc1ncccc1-c1nn[n-]n1)C(=O)[C@H](C)C#N ZINC001578158263 1164940127 /nfs/dbraw/zinc/94/01/27/1164940127.db2.gz TZPHLIRLYDSASS-SNVBAGLBSA-N -1 3 314.353 0.682 20 30 DCEDHM Cc1ccc(-c2nnn[n-]2)c(NC[C@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001581127970 1165788400 /nfs/dbraw/zinc/78/84/00/1165788400.db2.gz WDHZHCGUZJJESB-WPRPVWTQSA-N -1 3 314.353 0.646 20 30 DCEDHM Cc1ccc(-c2nn[n-]n2)c(NC[C@H](C)NC(=O)[C@@H](C)C#N)n1 ZINC001581127970 1165788408 /nfs/dbraw/zinc/78/84/08/1165788408.db2.gz WDHZHCGUZJJESB-WPRPVWTQSA-N -1 3 314.353 0.646 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1cc(CO)ccc1F ZINC001581411160 1165823054 /nfs/dbraw/zinc/82/30/54/1165823054.db2.gz NNKIAULASUDUFR-UHFFFAOYSA-N -1 3 313.296 0.923 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1cc(CO)ccc1F ZINC001581411160 1165823059 /nfs/dbraw/zinc/82/30/59/1165823059.db2.gz NNKIAULASUDUFR-UHFFFAOYSA-N -1 3 313.296 0.923 20 30 DCEDHM Cc1ncsc1CCCn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001581586368 1165846618 /nfs/dbraw/zinc/84/66/18/1165846618.db2.gz LOSSPYPWHVTXHF-UHFFFAOYSA-N -1 3 315.366 0.915 20 30 DCEDHM Cc1ncsc1CCCn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001581586368 1165846623 /nfs/dbraw/zinc/84/66/23/1165846623.db2.gz LOSSPYPWHVTXHF-UHFFFAOYSA-N -1 3 315.366 0.915 20 30 DCEDHM N#Cc1cncn(CC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC001581883668 1165900948 /nfs/dbraw/zinc/90/09/48/1165900948.db2.gz RGHFDDHRRMAHLQ-UHFFFAOYSA-N -1 3 321.300 0.107 20 30 DCEDHM N#Cc1cncn(CC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC001581883668 1165900953 /nfs/dbraw/zinc/90/09/53/1165900953.db2.gz RGHFDDHRRMAHLQ-UHFFFAOYSA-N -1 3 321.300 0.107 20 30 DCEDHM C=CCOCC(=O)N[C@H]1CC[C@H](NC(=O)c2cn[n-]n2)CC1 ZINC001582718322 1166070310 /nfs/dbraw/zinc/07/03/10/1166070310.db2.gz KQUPFERNPNOWKS-XYPYZODXSA-N -1 3 307.354 0.165 20 30 DCEDHM C#CCO[N-]C(=O)/C(=C\c1ccc(F)cc1)n1nnnc1C ZINC001584287547 1166319186 /nfs/dbraw/zinc/31/91/86/1166319186.db2.gz SOHZNTHADIUVTE-UKTHLTGXSA-N -1 3 301.281 0.800 20 30 DCEDHM C=CCOCC(=O)NC1(CNC(=O)c2c(C)nc[n-]c2=O)CC1 ZINC001585127693 1166403335 /nfs/dbraw/zinc/40/33/35/1166403335.db2.gz ODERCUZLDGCJKH-UHFFFAOYSA-N -1 3 320.349 0.072 20 30 DCEDHM C#CC(C)(C)N(C)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588325293 1166520875 /nfs/dbraw/zinc/52/08/75/1166520875.db2.gz JOKSBWHMMWXTLD-UHFFFAOYSA-N -1 3 312.377 0.827 20 30 DCEDHM C#C[C@@H](C)N(C)c1nnc(-c2cncc(-c3nnn[n-]3)c2)n1C ZINC001588326698 1166524459 /nfs/dbraw/zinc/52/44/59/1166524459.db2.gz SFAUDPYVVHGTFM-SECBINFHSA-N -1 3 309.337 0.515 20 30 DCEDHM C#C[C@@H](C)N(C)c1nnc(-c2cncc(-c3nn[n-]n3)c2)n1C ZINC001588326698 1166524467 /nfs/dbraw/zinc/52/44/67/1166524467.db2.gz SFAUDPYVVHGTFM-SECBINFHSA-N -1 3 309.337 0.515 20 30 DCEDHM C#C[C@H]1COCCN1C(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588330861 1166526064 /nfs/dbraw/zinc/52/60/64/1166526064.db2.gz LDDCCYJHYDUYHI-JTQLQIEISA-N -1 3 317.736 0.994 20 30 DCEDHM C#C[C@H]1COCCN1C(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588330861 1166526070 /nfs/dbraw/zinc/52/60/70/1166526070.db2.gz LDDCCYJHYDUYHI-JTQLQIEISA-N -1 3 317.736 0.994 20 30 DCEDHM C#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCOCC1 ZINC001588330255 1166527698 /nfs/dbraw/zinc/52/76/98/1166527698.db2.gz YGOQSYIMXBEEBA-LLVKDONJSA-N -1 3 300.322 0.353 20 30 DCEDHM C#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCOCC1 ZINC001588330255 1166527705 /nfs/dbraw/zinc/52/77/05/1166527705.db2.gz YGOQSYIMXBEEBA-LLVKDONJSA-N -1 3 300.322 0.353 20 30 DCEDHM C#C[C@H]1COCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001588331225 1166529708 /nfs/dbraw/zinc/52/97/08/1166529708.db2.gz PMSFLGJMAOEFAZ-WSROAFLRSA-N -1 3 309.329 0.741 20 30 DCEDHM C#C[C@H]1COCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001588331225 1166529714 /nfs/dbraw/zinc/52/97/14/1166529714.db2.gz PMSFLGJMAOEFAZ-WSROAFLRSA-N -1 3 309.329 0.741 20 30 DCEDHM C#CCC[C@H](O)CNc1nnc(CC)c(CC)c1-c1nnn[n-]1 ZINC001588337260 1166531501 /nfs/dbraw/zinc/53/15/01/1166531501.db2.gz LWUFMWWMIUOYMQ-JTQLQIEISA-N -1 3 315.381 0.968 20 30 DCEDHM C#CCC[C@H](O)CNc1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC001588337260 1166531503 /nfs/dbraw/zinc/53/15/03/1166531503.db2.gz LWUFMWWMIUOYMQ-JTQLQIEISA-N -1 3 315.381 0.968 20 30 DCEDHM C#CCCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588345398 1166535141 /nfs/dbraw/zinc/53/51/41/1166535141.db2.gz DKJXTRNTKWCVDS-UHFFFAOYSA-N -1 3 322.346 0.997 20 30 DCEDHM C#CCCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588345398 1166535149 /nfs/dbraw/zinc/53/51/49/1166535149.db2.gz DKJXTRNTKWCVDS-UHFFFAOYSA-N -1 3 322.346 0.997 20 30 DCEDHM C#CCN1CCN(C(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC001588353195 1166544699 /nfs/dbraw/zinc/54/46/99/1166544699.db2.gz KDSPHTTXKLBVLF-UHFFFAOYSA-N -1 3 314.324 0.397 20 30 DCEDHM C#CCN1CCN(C(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC001588353195 1166544705 /nfs/dbraw/zinc/54/47/05/1166544705.db2.gz KDSPHTTXKLBVLF-UHFFFAOYSA-N -1 3 314.324 0.397 20 30 DCEDHM C#CCOCCN(C)Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588362759 1166545740 /nfs/dbraw/zinc/54/57/40/1166545740.db2.gz RVXIVOBOONRFSS-UHFFFAOYSA-N -1 3 316.321 0.857 20 30 DCEDHM C#CCOCCN(C)Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588362759 1166545749 /nfs/dbraw/zinc/54/57/49/1166545749.db2.gz RVXIVOBOONRFSS-UHFFFAOYSA-N -1 3 316.321 0.857 20 30 DCEDHM C#CCO[C@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588360749 1166546678 /nfs/dbraw/zinc/54/66/78/1166546678.db2.gz UUHWHFAKEZXRRS-SECBINFHSA-N -1 3 301.306 0.852 20 30 DCEDHM C#CCO[C@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588360749 1166546684 /nfs/dbraw/zinc/54/66/84/1166546684.db2.gz UUHWHFAKEZXRRS-SECBINFHSA-N -1 3 301.306 0.852 20 30 DCEDHM C=C(C)C[C@@H](CO)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588405859 1166550706 /nfs/dbraw/zinc/55/07/06/1166550706.db2.gz QEVUGEGUIMFDNK-LBPRGKRZSA-N -1 3 317.349 0.689 20 30 DCEDHM C=CCC[C@@H](CO)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588578957 1166565279 /nfs/dbraw/zinc/56/52/79/1166565279.db2.gz HRZAHEVTRQAQRJ-NSHDSACASA-N -1 3 323.378 0.472 20 30 DCEDHM C=CCC[C@@H](CO)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588578957 1166565286 /nfs/dbraw/zinc/56/52/86/1166565286.db2.gz HRZAHEVTRQAQRJ-NSHDSACASA-N -1 3 323.378 0.472 20 30 DCEDHM C=CCCOC(=O)[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC001588609345 1166566598 /nfs/dbraw/zinc/56/65/98/1166566598.db2.gz MYQRXQGVWGKIJX-VIFPVBQESA-N -1 3 319.321 0.870 20 30 DCEDHM C=CCCOC(=O)[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC001588609345 1166566601 /nfs/dbraw/zinc/56/66/01/1166566601.db2.gz MYQRXQGVWGKIJX-VIFPVBQESA-N -1 3 319.321 0.870 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588659515 1166575365 /nfs/dbraw/zinc/57/53/65/1166575365.db2.gz NTEVTJPPKAKRAP-VIFPVBQESA-N -1 3 316.321 0.418 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588659515 1166575369 /nfs/dbraw/zinc/57/53/69/1166575369.db2.gz NTEVTJPPKAKRAP-VIFPVBQESA-N -1 3 316.321 0.418 20 30 DCEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1sccc1-c1nnn[n-]1 ZINC001588659672 1166575432 /nfs/dbraw/zinc/57/54/32/1166575432.db2.gz PXYJRRDGVJBJMT-SSDOTTSWSA-N -1 3 307.335 0.776 20 30 DCEDHM C=CCNC(=O)COC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588658807 1166575445 /nfs/dbraw/zinc/57/54/45/1166575445.db2.gz UHUQHCATKRLZPV-UHFFFAOYSA-N -1 3 302.294 0.029 20 30 DCEDHM C=CCNC(=O)COC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588658807 1166575451 /nfs/dbraw/zinc/57/54/51/1166575451.db2.gz UHUQHCATKRLZPV-UHFFFAOYSA-N -1 3 302.294 0.029 20 30 DCEDHM C=CCNC(=O)[C@H](C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588659553 1166575845 /nfs/dbraw/zinc/57/58/45/1166575845.db2.gz ONAMWKOHDYUGHJ-VIFPVBQESA-N -1 3 321.362 0.331 20 30 DCEDHM C=CCNC(=O)[C@H](C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588659553 1166575853 /nfs/dbraw/zinc/57/58/53/1166575853.db2.gz ONAMWKOHDYUGHJ-VIFPVBQESA-N -1 3 321.362 0.331 20 30 DCEDHM C=CCOCCOC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588683500 1166578321 /nfs/dbraw/zinc/57/83/21/1166578321.db2.gz WEUCVCQGBTVVKR-LBPRGKRZSA-N -1 3 304.306 0.646 20 30 DCEDHM C=CCOCCOC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588683500 1166578327 /nfs/dbraw/zinc/57/83/27/1166578327.db2.gz WEUCVCQGBTVVKR-LBPRGKRZSA-N -1 3 304.306 0.646 20 30 DCEDHM CC#CCN(C)C(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC001588745774 1166584213 /nfs/dbraw/zinc/58/42/13/1166584213.db2.gz CTBULRKWDOSHAZ-UHFFFAOYSA-N -1 3 315.333 0.736 20 30 DCEDHM CC#CCN(C)C(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC001588745774 1166584221 /nfs/dbraw/zinc/58/42/21/1166584221.db2.gz CTBULRKWDOSHAZ-UHFFFAOYSA-N -1 3 315.333 0.736 20 30 DCEDHM C[C@H](C#N)C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588929242 1166618684 /nfs/dbraw/zinc/61/86/84/1166618684.db2.gz RTTNZOKDVZBFPA-MXQLGCADSA-N -1 3 312.337 0.506 20 30 DCEDHM C[C@H](C#N)C(=O)NCC=CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588929242 1166618691 /nfs/dbraw/zinc/61/86/91/1166618691.db2.gz RTTNZOKDVZBFPA-MXQLGCADSA-N -1 3 312.337 0.506 20 30 DCEDHM C[C@H](C#N)C(=O)NCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588929007 1166619036 /nfs/dbraw/zinc/61/90/36/1166619036.db2.gz CFUXCDYYWQONJX-MRVPVSSYSA-N -1 3 303.301 0.694 20 30 DCEDHM C[C@H](C#N)C(=O)NCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588929007 1166619039 /nfs/dbraw/zinc/61/90/39/1166619039.db2.gz CFUXCDYYWQONJX-MRVPVSSYSA-N -1 3 303.301 0.694 20 30 DCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589787406 1166688218 /nfs/dbraw/zinc/68/82/18/1166688218.db2.gz KKNSGGCUDINQFY-QMMMGPOBSA-N -1 3 324.341 0.928 20 30 DCEDHM C[C@H](CCCNCC#N)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001589809654 1166689800 /nfs/dbraw/zinc/68/98/00/1166689800.db2.gz GAESGSIWCXKJIX-SECBINFHSA-N -1 3 302.342 0.206 20 30 DCEDHM C[C@H](CCCNCC#N)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001589809654 1166689805 /nfs/dbraw/zinc/68/98/05/1166689805.db2.gz GAESGSIWCXKJIX-SECBINFHSA-N -1 3 302.342 0.206 20 30 DCEDHM CC[C@H](CC#N)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590420295 1166902772 /nfs/dbraw/zinc/90/27/72/1166902772.db2.gz WMQNJIGRTDGGHL-SECBINFHSA-N -1 3 306.351 0.837 20 30 DCEDHM CCN(CC#N)C[C@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001590679831 1166967419 /nfs/dbraw/zinc/96/74/19/1166967419.db2.gz NHTWACIIHOYOMC-NSHDSACASA-N -1 3 302.338 0.452 20 30 DCEDHM CCN(CC#N)C[C@H](O)COc1ccccc1-c1nn[n-]n1 ZINC001590679831 1166967424 /nfs/dbraw/zinc/96/74/24/1166967424.db2.gz NHTWACIIHOYOMC-NSHDSACASA-N -1 3 302.338 0.452 20 30 DCEDHM CNC(=O)[C@@H](C#N)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001591198326 1167147689 /nfs/dbraw/zinc/14/76/89/1167147689.db2.gz QAGDQIRKKUNQRH-TUAOUCFPSA-N -1 3 310.317 0.425 20 30 DCEDHM COCCN(CC#N)C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591421933 1167277865 /nfs/dbraw/zinc/27/78/65/1167277865.db2.gz LROPOWQIDLXQGW-ZDUSSCGKSA-N -1 3 302.338 0.372 20 30 DCEDHM COCCN(CC#N)C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591421933 1167277873 /nfs/dbraw/zinc/27/78/73/1167277873.db2.gz LROPOWQIDLXQGW-ZDUSSCGKSA-N -1 3 302.338 0.372 20 30 DCEDHM COc1ccc(C=NN[C@H]2CCCOC2)cc1-c1nnn[n-]1 ZINC001591582340 1167332815 /nfs/dbraw/zinc/33/28/15/1167332815.db2.gz LKUISYIEGJMBIM-NSHDSACASA-N -1 3 302.338 0.978 20 30 DCEDHM COc1ccc(C=NN[C@H]2CCCOC2)cc1-c1nn[n-]n1 ZINC001591582340 1167332820 /nfs/dbraw/zinc/33/28/20/1167332820.db2.gz LKUISYIEGJMBIM-NSHDSACASA-N -1 3 302.338 0.978 20 30 DCEDHM N#CC1(CNC(=O)c2cnccc2-c2nnn[n-]2)CCOCC1 ZINC001592669332 1167591048 /nfs/dbraw/zinc/59/10/48/1167591048.db2.gz GTCFNRQSMPYLBZ-UHFFFAOYSA-N -1 3 313.321 0.312 20 30 DCEDHM N#CC1(CNC(=O)c2cnccc2-c2nn[n-]n2)CCOCC1 ZINC001592669332 1167591053 /nfs/dbraw/zinc/59/10/53/1167591053.db2.gz GTCFNRQSMPYLBZ-UHFFFAOYSA-N -1 3 313.321 0.312 20 30 DCEDHM Fc1cncnc1N=NCc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC001592662436 1167591179 /nfs/dbraw/zinc/59/11/79/1167591179.db2.gz FPFQICFLWBMUKJ-UHFFFAOYSA-N -1 3 324.283 0.890 20 30 DCEDHM Fc1cncnc1N=NCc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC001592662436 1167591184 /nfs/dbraw/zinc/59/11/84/1167591184.db2.gz FPFQICFLWBMUKJ-UHFFFAOYSA-N -1 3 324.283 0.890 20 30 DCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H]1O ZINC001592666838 1167592244 /nfs/dbraw/zinc/59/22/44/1167592244.db2.gz 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N#C[C@]1(F)CCN(C[C@@H](O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592670865 1167594011 /nfs/dbraw/zinc/59/40/11/1167594011.db2.gz SOYHCKDUADSMPP-TZMCWYRMSA-N -1 3 302.313 0.838 20 30 DCEDHM N#CCCCCNC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001592675445 1167596502 /nfs/dbraw/zinc/59/65/02/1167596502.db2.gz UBAFOSOGYKUGET-UHFFFAOYSA-N -1 3 300.326 0.484 20 30 DCEDHM N#CCCCCNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001592675445 1167596506 /nfs/dbraw/zinc/59/65/06/1167596506.db2.gz UBAFOSOGYKUGET-UHFFFAOYSA-N -1 3 300.326 0.484 20 30 DCEDHM N#CCNC[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001592678842 1167598848 /nfs/dbraw/zinc/59/88/48/1167598848.db2.gz TUHPWIZVUZSMKE-NSHDSACASA-N -1 3 314.353 0.303 20 30 DCEDHM N#CCNC[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001592678842 1167598851 /nfs/dbraw/zinc/59/88/51/1167598851.db2.gz TUHPWIZVUZSMKE-NSHDSACASA-N -1 3 314.353 0.303 20 30 DCEDHM N#CCNC[C@H]1CCC[C@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001592678924 1167599524 /nfs/dbraw/zinc/59/95/24/1167599524.db2.gz 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ZINC001592699822 1167604770 /nfs/dbraw/zinc/60/47/70/1167604770.db2.gz OBKPKCQMXJCOPJ-UHFFFAOYSA-N -1 3 308.309 0.672 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC2(CC(=O)N2)CC1 ZINC001592699393 1167605696 /nfs/dbraw/zinc/60/56/96/1167605696.db2.gz YGBPWZVGCASGIJ-UHFFFAOYSA-N -1 3 309.333 0.597 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC2(CC(=O)N2)CC1 ZINC001592699393 1167605698 /nfs/dbraw/zinc/60/56/98/1167605698.db2.gz YGBPWZVGCASGIJ-UHFFFAOYSA-N -1 3 309.333 0.597 20 30 DCEDHM N#Cc1ncccc1COC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001592710015 1167609051 /nfs/dbraw/zinc/60/90/51/1167609051.db2.gz TURPNEASDZOONL-UHFFFAOYSA-N -1 3 307.273 0.885 20 30 DCEDHM N#Cc1ncccc1COC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001592710015 1167609057 /nfs/dbraw/zinc/60/90/57/1167609057.db2.gz TURPNEASDZOONL-UHFFFAOYSA-N -1 3 307.273 0.885 20 30 DCEDHM N#Cc1ccc(CNCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1F ZINC001601101474 1168585439 /nfs/dbraw/zinc/58/54/39/1168585439.db2.gz AZAVBACRHXUBAO-NWDGAFQWSA-N -1 3 305.309 0.624 20 30 DCEDHM C#C[C@@H]1COCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001602697698 1169164730 /nfs/dbraw/zinc/16/47/30/1169164730.db2.gz ZJRJOZXLCVXYDD-CYBMUJFWSA-N -1 3 312.333 0.139 20 30 DCEDHM C#CCCS(=O)(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602714432 1169168033 /nfs/dbraw/zinc/16/80/33/1169168033.db2.gz RKHBBRPQWJDICM-JTQLQIEISA-N -1 3 305.363 0.870 20 30 DCEDHM C#CCCS(=O)(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602714432 1169168043 /nfs/dbraw/zinc/16/80/43/1169168043.db2.gz RKHBBRPQWJDICM-JTQLQIEISA-N -1 3 305.363 0.870 20 30 DCEDHM C#CCN(C)CCCNC(=O)NCCc1ncc(C(=O)[O-])s1 ZINC001602713718 1169168690 /nfs/dbraw/zinc/16/86/90/1169168690.db2.gz QBDISACQGAOBJE-UHFFFAOYSA-N -1 3 324.406 0.638 20 30 DCEDHM C#CCO[C@H](C)C(=O)Nc1n[nH]c(C2CC2)c1-c1nnn[n-]1 ZINC001602726077 1169174776 /nfs/dbraw/zinc/17/47/76/1169174776.db2.gz CCROVRBFEQCYMB-SSDOTTSWSA-N -1 3 301.310 0.444 20 30 DCEDHM C=C(C)CCN1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001602759291 1169179862 /nfs/dbraw/zinc/17/98/62/1169179862.db2.gz DTHVKHADEKYYMO-UHFFFAOYSA-N -1 3 301.354 0.575 20 30 DCEDHM C=C[C@@H](COC)NC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001602804519 1169186187 /nfs/dbraw/zinc/18/61/87/1169186187.db2.gz UMIUKLZFFCMMCC-LBPRGKRZSA-N -1 3 316.365 0.864 20 30 DCEDHM C=C[C@@H](COC)NC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001602804519 1169186193 /nfs/dbraw/zinc/18/61/93/1169186193.db2.gz UMIUKLZFFCMMCC-LBPRGKRZSA-N -1 3 316.365 0.864 20 30 DCEDHM C=CCNC(=O)CNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001602863914 1169196313 /nfs/dbraw/zinc/19/63/13/1169196313.db2.gz RPXXRQPCFFYYQE-UHFFFAOYSA-N -1 3 320.740 0.552 20 30 DCEDHM C=CCNC(=O)CNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001602863914 1169196319 /nfs/dbraw/zinc/19/63/19/1169196319.db2.gz RPXXRQPCFFYYQE-UHFFFAOYSA-N -1 3 320.740 0.552 20 30 DCEDHM C=CCn1cc(C(=O)NCc2ccc(C)c(-c3nnn[n-]3)c2)nn1 ZINC001602882293 1169197516 /nfs/dbraw/zinc/19/75/16/1169197516.db2.gz HHGZNQFQJKCPSB-UHFFFAOYSA-N -1 3 324.348 0.883 20 30 DCEDHM C=CCn1cc(C(=O)NCc2ccc(C)c(-c3nn[n-]n3)c2)nn1 ZINC001602882293 1169197520 /nfs/dbraw/zinc/19/75/20/1169197520.db2.gz HHGZNQFQJKCPSB-UHFFFAOYSA-N -1 3 324.348 0.883 20 30 DCEDHM C[C@@H](C#N)C(=O)N(C)CCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001602981464 1169223708 /nfs/dbraw/zinc/22/37/08/1169223708.db2.gz FHHADXCVNKKZKM-JTQLQIEISA-N -1 3 314.353 0.682 20 30 DCEDHM C[C@@H](C#N)C(=O)N(C)CCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001602981464 1169223715 /nfs/dbraw/zinc/22/37/15/1169223715.db2.gz FHHADXCVNKKZKM-JTQLQIEISA-N -1 3 314.353 0.682 20 30 DCEDHM C[C@H](C#N)C(=O)NCCCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001602983099 1169224120 /nfs/dbraw/zinc/22/41/20/1169224120.db2.gz DYVBDLQNVXBJJH-SNVBAGLBSA-N -1 3 314.353 0.364 20 30 DCEDHM C[C@H](C#N)C(=O)NCCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001602983099 1169224126 /nfs/dbraw/zinc/22/41/26/1169224126.db2.gz DYVBDLQNVXBJJH-SNVBAGLBSA-N -1 3 314.353 0.364 20 30 DCEDHM C[C@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@@H](CO)O1 ZINC001603938769 1169443746 /nfs/dbraw/zinc/44/37/46/1169443746.db2.gz NRANUTKDDVQLCC-ONGXEEELSA-N -1 3 300.322 0.324 20 30 DCEDHM C[C@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@@H](CO)O1 ZINC001603938769 1169443751 /nfs/dbraw/zinc/44/37/51/1169443751.db2.gz NRANUTKDDVQLCC-ONGXEEELSA-N -1 3 300.322 0.324 20 30 DCEDHM CCOC(=O)c1cnn(Cc2ccc(-c3nnn[n-]3)cn2)c1C#N ZINC001604390783 1169580279 /nfs/dbraw/zinc/58/02/79/1169580279.db2.gz LZBOUDMPWOSMNN-UHFFFAOYSA-N -1 3 324.304 0.555 20 30 DCEDHM CCOC(=O)c1cnn(Cc2ccc(-c3nn[n-]n3)cn2)c1C#N ZINC001604390783 1169580283 /nfs/dbraw/zinc/58/02/83/1169580283.db2.gz LZBOUDMPWOSMNN-UHFFFAOYSA-N -1 3 324.304 0.555 20 30 DCEDHM CN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)C1CCN(CC#N)CC1 ZINC001604650248 1169643559 /nfs/dbraw/zinc/64/35/59/1169643559.db2.gz DVHXCRDDNKRUJP-UHFFFAOYSA-N -1 3 314.353 0.255 20 30 DCEDHM CN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)C1CCN(CC#N)CC1 ZINC001604650248 1169643565 /nfs/dbraw/zinc/64/35/65/1169643565.db2.gz DVHXCRDDNKRUJP-UHFFFAOYSA-N -1 3 314.353 0.255 20 30 DCEDHM CN(C)C[C@](C)(C#N)NC(=O)c1cscc1-c1nnn[n-]1 ZINC001604678310 1169653631 /nfs/dbraw/zinc/65/36/31/1169653631.db2.gz ZTTLQXYFNLMYMP-LBPRGKRZSA-N -1 3 305.367 0.502 20 30 DCEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC#CCO ZINC001604813446 1169692470 /nfs/dbraw/zinc/69/24/70/1169692470.db2.gz KDEJJEBBHJCGIK-UHFFFAOYSA-N -1 3 300.322 0.004 20 30 DCEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC#CCO ZINC001604813446 1169692476 /nfs/dbraw/zinc/69/24/76/1169692476.db2.gz KDEJJEBBHJCGIK-UHFFFAOYSA-N -1 3 300.322 0.004 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@](F)(C#N)C1 ZINC001605158776 1169852245 /nfs/dbraw/zinc/85/22/45/1169852245.db2.gz HADGFVOOBSJHAI-AWEZNQCLSA-N -1 3 316.296 0.953 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@](F)(C#N)C1 ZINC001605158776 1169852265 /nfs/dbraw/zinc/85/22/65/1169852265.db2.gz HADGFVOOBSJHAI-AWEZNQCLSA-N -1 3 316.296 0.953 20 30 DCEDHM Cc1cc(N2CC(O)(CC#N)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001605692351 1169987114 /nfs/dbraw/zinc/98/71/14/1169987114.db2.gz YKFNSLBRPWIBHR-UHFFFAOYSA-N -1 3 315.293 0.548 20 30 DCEDHM Cc1cc(N2CC(O)(CC#N)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001605692351 1169987118 /nfs/dbraw/zinc/98/71/18/1169987118.db2.gz YKFNSLBRPWIBHR-UHFFFAOYSA-N -1 3 315.293 0.548 20 30 DCEDHM CN1CCN(C(=O)Cc2ccc(C#N)cc2)C[C@@H](C(=O)[O-])C1 ZINC001606233479 1170129040 /nfs/dbraw/zinc/12/90/40/1170129040.db2.gz RSGOKNUKPJIVKM-AWEZNQCLSA-N -1 3 301.346 0.576 20 30 DCEDHM N#C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001606344930 1170163043 /nfs/dbraw/zinc/16/30/43/1170163043.db2.gz CBQZRBPHPTZFLY-VIFPVBQESA-N -1 3 319.350 0.186 20 30 DCEDHM N#C[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001606344930 1170163048 /nfs/dbraw/zinc/16/30/48/1170163048.db2.gz CBQZRBPHPTZFLY-VIFPVBQESA-N -1 3 319.350 0.186 20 30 DCEDHM N#C[C@H]1CCCN(C(=O)NCc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001606344961 1170163190 /nfs/dbraw/zinc/16/31/90/1170163190.db2.gz VZLCFNPUKPTTCK-SNVBAGLBSA-N -1 3 312.337 0.707 20 30 DCEDHM N#C[C@H]1CCCN(C(=O)NCc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001606344961 1170163193 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DCEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SC[C@@H]1CCC(=O)O1 ZINC001606356875 1170169471 /nfs/dbraw/zinc/16/94/71/1170169471.db2.gz AEJZLSSABUNNCO-ZETCQYMHSA-N -1 3 317.334 0.513 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1ccc(C(N)=O)nc1 ZINC001606379693 1170175460 /nfs/dbraw/zinc/17/54/60/1170175460.db2.gz IXYGFFCTPNNCSM-UHFFFAOYSA-N -1 3 320.316 0.844 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1ccc(C(N)=O)nc1 ZINC001606379693 1170175464 /nfs/dbraw/zinc/17/54/64/1170175464.db2.gz IXYGFFCTPNNCSM-UHFFFAOYSA-N -1 3 320.316 0.844 20 30 DCEDHM N#C[C@@H]1CNCC12CC(C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F)C2 ZINC001608178898 1170610529 /nfs/dbraw/zinc/61/05/29/1170610529.db2.gz CXDMVMYHYSPWQB-LCDPWCGMSA-N -1 3 313.304 0.208 20 30 DCEDHM N#Cc1ccc([C@H](O)CN2CCC([C@@H](O)C(=O)[O-])CC2)cc1 ZINC001608201657 1170615295 /nfs/dbraw/zinc/61/52/95/1170615295.db2.gz FVNAADKPWUULOQ-HUUCEWRRSA-N -1 3 304.346 0.749 20 30 DCEDHM C#C[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC001609018615 1170785421 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1166688643 /nfs/dbraw/zinc/68/86/43/1166688643.db2.gz VMAVTWVDGMQFRA-MRVPVSSYSA-N -1 3 324.341 0.727 20 30 DCEDHM C[C@H](CC#N)NS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001589788206 1166688647 /nfs/dbraw/zinc/68/86/47/1166688647.db2.gz VMAVTWVDGMQFRA-MRVPVSSYSA-N -1 3 324.341 0.727 20 30 DCEDHM C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC001589787274 1166688742 /nfs/dbraw/zinc/68/87/42/1166688742.db2.gz IZFWANUCBWEAFC-SSDOTTSWSA-N -1 3 317.284 0.363 20 30 DCEDHM C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC001589787274 1166688745 /nfs/dbraw/zinc/68/87/45/1166688745.db2.gz IZFWANUCBWEAFC-SSDOTTSWSA-N -1 3 317.284 0.363 20 30 DCEDHM CC[C@H](CC#N)NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001590419104 1166904075 /nfs/dbraw/zinc/90/40/75/1166904075.db2.gz CQFLZZZLEFMKEP-MRVPVSSYSA-N -1 3 324.341 0.976 20 30 DCEDHM CC[C@H](CC#N)NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001590419104 1166904081 /nfs/dbraw/zinc/90/40/81/1166904081.db2.gz CQFLZZZLEFMKEP-MRVPVSSYSA-N -1 3 324.341 0.976 20 30 DCEDHM CCNS(=O)(=O)CCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590745221 1167000449 /nfs/dbraw/zinc/00/04/49/1167000449.db2.gz JWOCHDLWIYYONV-UHFFFAOYSA-N -1 3 321.366 0.090 20 30 DCEDHM CCNS(=O)(=O)CCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590745221 1167000453 /nfs/dbraw/zinc/00/04/53/1167000453.db2.gz JWOCHDLWIYYONV-UHFFFAOYSA-N -1 3 321.366 0.090 20 30 DCEDHM CCOC(=O)c1cnn(CC2(CC#N)CC2)c1-c1nnn[n-]1 ZINC001590776101 1167016993 /nfs/dbraw/zinc/01/69/93/1167016993.db2.gz GBEZRCPHONRLMM-UHFFFAOYSA-N -1 3 301.310 0.934 20 30 DCEDHM CN(C)C(=O)OCSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001591004501 1167073059 /nfs/dbraw/zinc/07/30/59/1167073059.db2.gz GQHASDILJKREPG-UHFFFAOYSA-N -1 3 320.338 0.463 20 30 DCEDHM CN(C)C(=O)OCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001591004501 1167073062 /nfs/dbraw/zinc/07/30/62/1167073062.db2.gz GQHASDILJKREPG-UHFFFAOYSA-N -1 3 320.338 0.463 20 30 DCEDHM COC(=O)c1ccc(Cn2cnc(C#N)c2-c2nnn[n-]2)cc1 ZINC001591292714 1167204219 /nfs/dbraw/zinc/20/42/19/1167204219.db2.gz 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/nfs/dbraw/zinc/40/67/97/1167406797.db2.gz KUEIRSUAIBBNHC-SNVBAGLBSA-N -1 3 315.362 0.651 20 30 DCEDHM Cc1cc(C)c(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)c(C)n1 ZINC001591948244 1167422923 /nfs/dbraw/zinc/42/29/23/1167422923.db2.gz CSECUMYRVYNHRO-UHFFFAOYSA-N -1 3 309.337 0.886 20 30 DCEDHM Cc1ccc(NC(=O)Cn2c(N)nc(C#N)c2-c2nnn[n-]2)cc1 ZINC001592182586 1167470488 /nfs/dbraw/zinc/47/04/88/1167470488.db2.gz VKFYWOXHFVBWLF-UHFFFAOYSA-N -1 3 323.320 0.464 20 30 DCEDHM Cc1ccc(NC(=O)Cn2c(N)nc(C#N)c2-c2nn[n-]n2)cc1 ZINC001592182586 1167470492 /nfs/dbraw/zinc/47/04/92/1167470492.db2.gz VKFYWOXHFVBWLF-UHFFFAOYSA-N -1 3 323.320 0.464 20 30 DCEDHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)N[C@H](C)CC#N ZINC001592212659 1167476460 /nfs/dbraw/zinc/47/64/60/1167476460.db2.gz JTHUZUQBBSBKCI-SECBINFHSA-N -1 3 306.351 0.756 20 30 DCEDHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)N[C@H](C)CC#N ZINC001592212659 1167476465 /nfs/dbraw/zinc/47/64/65/1167476465.db2.gz JTHUZUQBBSBKCI-SECBINFHSA-N -1 3 306.351 0.756 20 30 DCEDHM Cn1c(C(=O)OC2CCN(CC#N)CC2)ccc1-c1nnn[n-]1 ZINC001592550735 1167555153 /nfs/dbraw/zinc/55/51/53/1167555153.db2.gz KLFLXDFKPFORFT-UHFFFAOYSA-N -1 3 315.337 0.350 20 30 DCEDHM Cn1c(C(=O)OC2CCN(CC#N)CC2)ccc1-c1nn[n-]n1 ZINC001592550735 1167555158 /nfs/dbraw/zinc/55/51/58/1167555158.db2.gz KLFLXDFKPFORFT-UHFFFAOYSA-N -1 3 315.337 0.350 20 30 DCEDHM N#C[C@H]1CN(C(=O)c2c[nH]c3cccc(-c4nnn[n-]4)c23)CCO1 ZINC001592672049 1167593232 /nfs/dbraw/zinc/59/32/32/1167593232.db2.gz WARSXHCOIYKYHC-VIFPVBQESA-N -1 3 323.316 0.713 20 30 DCEDHM N#C[C@H]1CN(C(=O)c2c[nH]c3cccc(-c4nn[n-]n4)c23)CCO1 ZINC001592672049 1167593237 /nfs/dbraw/zinc/59/32/37/1167593237.db2.gz WARSXHCOIYKYHC-VIFPVBQESA-N -1 3 323.316 0.713 20 30 DCEDHM N#C[C@H]1CN(c2nc3ncccc3cc2-c2nnn[n-]2)CCO1 ZINC001592671716 1167594831 /nfs/dbraw/zinc/59/48/31/1167594831.db2.gz NKRRSBGYGGLACN-JTQLQIEISA-N -1 3 308.305 0.539 20 30 DCEDHM N#C[C@H]1CN(c2nc3ncccc3cc2-c2nn[n-]n2)CCO1 ZINC001592671716 1167594837 /nfs/dbraw/zinc/59/48/37/1167594837.db2.gz NKRRSBGYGGLACN-JTQLQIEISA-N -1 3 308.305 0.539 20 30 DCEDHM N#CC1CN(S(=O)(=O)c2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001592672052 1167595046 /nfs/dbraw/zinc/59/50/46/1167595046.db2.gz WDBYMAGLGHLEDH-UHFFFAOYSA-N -1 3 308.298 0.150 20 30 DCEDHM N#CC1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001592672463 1167595699 /nfs/dbraw/zinc/59/56/99/1167595699.db2.gz JAMIBQDKJOWASW-UHFFFAOYSA-N -1 3 319.350 0.186 20 30 DCEDHM N#CC1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001592672463 1167595703 /nfs/dbraw/zinc/59/57/03/1167595703.db2.gz JAMIBQDKJOWASW-UHFFFAOYSA-N -1 3 319.350 0.186 20 30 DCEDHM N#CC[C@@]1(O)CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001592675127 1167595910 /nfs/dbraw/zinc/59/59/10/1167595910.db2.gz MYKOURGLVKNNAP-CQSZACIVSA-N -1 3 302.313 0.856 20 30 DCEDHM N#CC[C@@]1(O)CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001592675127 1167595912 /nfs/dbraw/zinc/59/59/12/1167595912.db2.gz MYKOURGLVKNNAP-CQSZACIVSA-N -1 3 302.313 0.856 20 30 DCEDHM N#CC[C@]1(O)CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001592675987 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LVQJQSRUWFLYKA-KOLCDFICSA-N -1 3 314.353 0.206 20 30 DCEDHM N#CC[C@@H](O)CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001592681572 1167599315 /nfs/dbraw/zinc/59/93/15/1167599315.db2.gz DQYJXSXUEJYNKF-SSDOTTSWSA-N -1 3 302.323 0.082 20 30 DCEDHM N#CC[C@@H](O)CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001592681572 1167599318 /nfs/dbraw/zinc/59/93/18/1167599318.db2.gz DQYJXSXUEJYNKF-SSDOTTSWSA-N -1 3 302.323 0.082 20 30 DCEDHM N#Cc1nc(N)n(Cc2cc(F)ccc2F)c1-c1nnn[n-]1 ZINC001592704907 1167605939 /nfs/dbraw/zinc/60/59/39/1167605939.db2.gz SZTUVCCRWXSYMK-UHFFFAOYSA-N -1 3 302.248 0.844 20 30 DCEDHM N#Cc1nc(N)n(Cc2cc(F)ccc2F)c1-c1nn[n-]n1 ZINC001592704907 1167605943 /nfs/dbraw/zinc/60/59/43/1167605943.db2.gz SZTUVCCRWXSYMK-UHFFFAOYSA-N -1 3 302.248 0.844 20 30 DCEDHM N#Cc1c(N)sc2c1CCN(CCC(=O)NCC(=O)[O-])C2 ZINC001601083177 1168583026 /nfs/dbraw/zinc/58/30/26/1168583026.db2.gz RKIWFHDTJSFZIF-UHFFFAOYSA-N -1 3 308.363 0.151 20 30 DCEDHM C#C[C@@H](CO)Nc1ncc(Br)cc1-c1nn[n-]n1 ZINC001602687673 1169158374 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C=CCNC(=O)C[S@](=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000285263472 415610546 /nfs/dbraw/zinc/61/05/46/415610546.db2.gz VJTJGFOHDUIXBC-OAQYLSRUSA-N -1 3 323.296 0.752 20 30 DCEDHM C=C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000290179233 415770864 /nfs/dbraw/zinc/77/08/64/415770864.db2.gz LBNYROIVPQJANS-VIFPVBQESA-N -1 3 319.766 0.952 20 30 DCEDHM C[C@H](CCO)C[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000123524401 415843628 /nfs/dbraw/zinc/84/36/28/415843628.db2.gz ZESLKSHVSHTJJW-SECBINFHSA-N -1 3 313.335 0.763 20 30 DCEDHM Cn1cnc(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)n1 ZINC000354885626 415829184 /nfs/dbraw/zinc/82/91/84/415829184.db2.gz UEVKMMGVQOIZGF-UHFFFAOYSA-N -1 3 308.305 0.579 20 30 DCEDHM C[C@@H]([N-]S(=O)(=O)N(C)C[C@H](C)C#N)C(=O)OC(C)(C)C ZINC000336955937 415874762 /nfs/dbraw/zinc/87/47/62/415874762.db2.gz YVCMVWUVAKZUTI-NXEZZACHSA-N -1 3 305.400 0.642 20 30 DCEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)[N-][C@H](C(=O)OC)C1CC1 ZINC000337069233 415902825 /nfs/dbraw/zinc/90/28/25/415902825.db2.gz NAPOWRCTBITZQF-ONGXEEELSA-N -1 3 303.384 0.254 20 30 DCEDHM Cc1nnc(C[N-]S(=O)(=O)c2ccc(C#N)o2)n1C1CC1 ZINC000344712686 415975683 /nfs/dbraw/zinc/97/56/83/415975683.db2.gz VWXQEVZPJSUYDT-UHFFFAOYSA-N -1 3 307.335 0.865 20 30 DCEDHM C=CCOC[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)C(=O)OC ZINC000337571765 415978855 /nfs/dbraw/zinc/97/88/55/415978855.db2.gz SZDRAXZKTQQDON-LLVKDONJSA-N -1 3 322.296 0.571 20 30 DCEDHM C=CCOC[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)C(=O)OC ZINC000337571765 415978857 /nfs/dbraw/zinc/97/88/57/415978857.db2.gz SZDRAXZKTQQDON-LLVKDONJSA-N -1 3 322.296 0.571 20 30 DCEDHM C=CCOC[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)OC ZINC000337571765 415978861 /nfs/dbraw/zinc/97/88/61/415978861.db2.gz SZDRAXZKTQQDON-LLVKDONJSA-N -1 3 322.296 0.571 20 30 DCEDHM C[C@@H](C#N)CNC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000171845212 416041657 /nfs/dbraw/zinc/04/16/57/416041657.db2.gz QBYHIBITMRJHSY-ZETCQYMHSA-N -1 3 321.811 0.956 20 30 DCEDHM 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1166568352 /nfs/dbraw/zinc/56/83/52/1166568352.db2.gz HVFNEMCQDFNELQ-UHFFFAOYSA-N -1 3 316.369 0.939 20 30 DCEDHM C=CCN1CC[C@@H](N(C)Cc2ccc(-c3nnn[n-]3)cn2)C1=O ZINC001588654968 1166573188 /nfs/dbraw/zinc/57/31/88/1166573188.db2.gz SQAUPJOIKRIBLT-CYBMUJFWSA-N -1 3 313.365 0.480 20 30 DCEDHM C=CCN1CC[C@@H](N(C)Cc2ccc(-c3nn[n-]n3)cn2)C1=O ZINC001588654968 1166573191 /nfs/dbraw/zinc/57/31/91/1166573191.db2.gz SQAUPJOIKRIBLT-CYBMUJFWSA-N -1 3 313.365 0.480 20 30 DCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ncn(C)n1 ZINC001588647686 1166574051 /nfs/dbraw/zinc/57/40/51/1166574051.db2.gz BZPBVTJVVSAJMT-UHFFFAOYSA-N -1 3 324.348 0.824 20 30 DCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ncn(C)n1 ZINC001588647686 1166574060 /nfs/dbraw/zinc/57/40/60/1166574060.db2.gz BZPBVTJVVSAJMT-UHFFFAOYSA-N -1 3 324.348 0.824 20 30 DCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cn[nH]n1 ZINC001588649622 1166574947 /nfs/dbraw/zinc/57/49/47/1166574947.db2.gz VVMOHZBHFMBBSU-UHFFFAOYSA-N -1 3 310.321 0.813 20 30 DCEDHM C=CCNC(=O)Cc1noc(-c2ccc(-c3nnn[n-]3)cn2)n1 ZINC001588658165 1166577244 /nfs/dbraw/zinc/57/72/44/1166577244.db2.gz AAHWVWKPAGJTDW-UHFFFAOYSA-N -1 3 312.293 0.156 20 30 DCEDHM C=CCNC(=O)Cc1noc(-c2ccc(-c3nn[n-]n3)cn2)n1 ZINC001588658165 1166577250 /nfs/dbraw/zinc/57/72/50/1166577250.db2.gz AAHWVWKPAGJTDW-UHFFFAOYSA-N -1 3 312.293 0.156 20 30 DCEDHM C=CCn1cc(C(=O)Nc2sccc2-c2nnn[n-]2)nn1 ZINC001588713113 1166580779 /nfs/dbraw/zinc/58/07/79/1166580779.db2.gz FTGIBFKSUISFML-UHFFFAOYSA-N -1 3 302.323 0.958 20 30 DCEDHM C=CCn1cc(C(=O)Nc2sccc2-c2nn[n-]n2)nn1 ZINC001588713113 1166580783 /nfs/dbraw/zinc/58/07/83/1166580783.db2.gz FTGIBFKSUISFML-UHFFFAOYSA-N -1 3 302.323 0.958 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588737674 1166581100 /nfs/dbraw/zinc/58/11/00/1166581100.db2.gz HLHDMCARSLZYAC-JTQLQIEISA-N -1 3 318.312 0.902 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588737674 1166581104 /nfs/dbraw/zinc/58/11/04/1166581104.db2.gz HLHDMCARSLZYAC-JTQLQIEISA-N -1 3 318.312 0.902 20 30 DCEDHM CC#CCN1CCCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001588747468 1166585592 /nfs/dbraw/zinc/58/55/92/1166585592.db2.gz HUVJGNCNNJDZCJ-UHFFFAOYSA-N -1 3 313.365 0.366 20 30 DCEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(N2CC[C@@](O)(CC#N)C2)c1 ZINC001588900464 1166616723 /nfs/dbraw/zinc/61/67/23/1166616723.db2.gz DPAXMHHVYJVQCI-HNNXBMFYSA-N -1 3 312.333 0.924 20 30 DCEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(N2CC[C@@](O)(CC#N)C2)c1 ZINC001588900464 1166616728 /nfs/dbraw/zinc/61/67/28/1166616728.db2.gz DPAXMHHVYJVQCI-HNNXBMFYSA-N -1 3 312.333 0.924 20 30 DCEDHM C[C@H](C#N)C(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001588928654 1166618424 /nfs/dbraw/zinc/61/84/24/1166618424.db2.gz WKWJPZUJUDPERR-SNVBAGLBSA-N -1 3 312.337 0.070 20 30 DCEDHM C[C@H](C#N)C(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001588928654 1166618429 /nfs/dbraw/zinc/61/84/29/1166618429.db2.gz WKWJPZUJUDPERR-SNVBAGLBSA-N -1 3 312.337 0.070 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001588931250 1166618843 /nfs/dbraw/zinc/61/88/43/1166618843.db2.gz VHICLQZSUQYRHR-ZJUUUORDSA-N -1 3 312.337 0.116 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001588931250 1166618847 /nfs/dbraw/zinc/61/88/47/1166618847.db2.gz VHICLQZSUQYRHR-ZJUUUORDSA-N -1 3 312.337 0.116 20 30 DCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001588930614 1166619124 /nfs/dbraw/zinc/61/91/24/1166619124.db2.gz AMICLDMIXKSJAR-VIFPVBQESA-N -1 3 306.351 0.647 20 30 DCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001588930614 1166619125 /nfs/dbraw/zinc/61/91/25/1166619125.db2.gz AMICLDMIXKSJAR-VIFPVBQESA-N -1 3 306.351 0.647 20 30 DCEDHM C[C@H](C#N)CNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001588934322 1166619543 /nfs/dbraw/zinc/61/95/43/1166619543.db2.gz IXDQWFYQDYNZEJ-MRVPVSSYSA-N -1 3 324.341 0.585 20 30 DCEDHM C[C@H](C#N)CNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001588934322 1166619549 /nfs/dbraw/zinc/61/95/49/1166619549.db2.gz IXDQWFYQDYNZEJ-MRVPVSSYSA-N -1 3 324.341 0.585 20 30 DCEDHM CC(C)[C@H](NC=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001589765412 1166685990 /nfs/dbraw/zinc/68/59/90/1166685990.db2.gz FKRVDWWRIDWKTI-LBPRGKRZSA-N -1 3 313.321 0.447 20 30 DCEDHM CC(C)[C@H](NC=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001589765412 1166685994 /nfs/dbraw/zinc/68/59/94/1166685994.db2.gz FKRVDWWRIDWKTI-LBPRGKRZSA-N -1 3 313.321 0.447 20 30 DCEDHM C[C@H](CC#N)N(C)S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589786845 1166688162 /nfs/dbraw/zinc/68/81/62/1166688162.db2.gz GDIGKYFGFOGVBF-MRVPVSSYSA-N -1 3 324.341 0.928 20 30 DCEDHM C[C@H](CC#N)N(C)S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589786845 1166688164 /nfs/dbraw/zinc/68/81/64/1166688164.db2.gz GDIGKYFGFOGVBF-MRVPVSSYSA-N -1 3 324.341 0.928 20 30 DCEDHM C[C@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CN1CC#N ZINC001590235641 1166825305 /nfs/dbraw/zinc/82/53/05/1166825305.db2.gz WYPMMAJWSAYCQG-GXSJLCMTSA-N -1 3 314.353 0.301 20 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/nfs/dbraw/zinc/09/76/45/1167097645.db2.gz BORJJQHYKRIMPB-UHFFFAOYSA-N -1 3 317.284 0.316 20 30 DCEDHM CN(CCC#N)C(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001591061686 1167097647 /nfs/dbraw/zinc/09/76/47/1167097647.db2.gz BORJJQHYKRIMPB-UHFFFAOYSA-N -1 3 317.284 0.316 20 30 DCEDHM CN(CCN1CCOCC1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591095919 1167102892 /nfs/dbraw/zinc/10/28/92/1167102892.db2.gz OQSLFXACKYUTQK-UHFFFAOYSA-N -1 3 313.365 0.507 20 30 DCEDHM CN(CCN1CCOCC1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591095919 1167102895 /nfs/dbraw/zinc/10/28/95/1167102895.db2.gz OQSLFXACKYUTQK-UHFFFAOYSA-N -1 3 313.365 0.507 20 30 DCEDHM CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)NCC#CCO ZINC001591127310 1167111911 /nfs/dbraw/zinc/11/19/11/1167111911.db2.gz GSUDRYROVWRVSF-UHFFFAOYSA-N -1 3 306.351 0.065 20 30 DCEDHM CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)NCC#CCO ZINC001591127310 1167111914 /nfs/dbraw/zinc/11/19/14/1167111914.db2.gz GSUDRYROVWRVSF-UHFFFAOYSA-N -1 3 306.351 0.065 20 30 DCEDHM CNC(=O)c1ccc(Cn2c(C)nc(C#N)c2-c2nnn[n-]2)cc1 ZINC001591213623 1167159747 /nfs/dbraw/zinc/15/97/47/1167159747.db2.gz POBCZQJDOKPHBP-UHFFFAOYSA-N -1 3 322.332 0.651 20 30 DCEDHM CNC(=O)c1ccc(Cn2c(C)nc(C#N)c2-c2nn[n-]n2)cc1 ZINC001591213623 1167159750 /nfs/dbraw/zinc/15/97/50/1167159750.db2.gz POBCZQJDOKPHBP-UHFFFAOYSA-N -1 3 322.332 0.651 20 30 DCEDHM COC[C@@](C)(C#N)NC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001591367745 1167239730 /nfs/dbraw/zinc/23/97/30/1167239730.db2.gz MNIBRHOSBGZAGJ-CYBMUJFWSA-N -1 3 301.310 0.229 20 30 DCEDHM COC[C@@](C)(C#N)NC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001591367745 1167239735 /nfs/dbraw/zinc/23/97/35/1167239735.db2.gz MNIBRHOSBGZAGJ-CYBMUJFWSA-N -1 3 301.310 0.229 20 30 DCEDHM COCCN(CC#N)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC001591421607 1167277009 /nfs/dbraw/zinc/27/70/09/1167277009.db2.gz DZGNWDSIDXVNCZ-UHFFFAOYSA-N -1 3 316.321 0.244 20 30 DCEDHM COCCN(CC#N)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC001591421607 1167277021 /nfs/dbraw/zinc/27/70/21/1167277021.db2.gz DZGNWDSIDXVNCZ-UHFFFAOYSA-N -1 3 316.321 0.244 20 30 DCEDHM Cc1c(C(=O)OCC(=O)NCCC#N)cccc1-c1nnn[n-]1 ZINC001591812525 1167385477 /nfs/dbraw/zinc/38/54/77/1167385477.db2.gz FPGOHGFLCAGJLK-UHFFFAOYSA-N -1 3 314.305 0.362 20 30 DCEDHM Cc1c(C(=O)OCC(=O)NCCC#N)cccc1-c1nn[n-]n1 ZINC001591812525 1167385482 /nfs/dbraw/zinc/38/54/82/1167385482.db2.gz FPGOHGFLCAGJLK-UHFFFAOYSA-N -1 3 314.305 0.362 20 30 DCEDHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)N[C@H](C)CC#N ZINC001591989754 1167431015 /nfs/dbraw/zinc/43/10/15/1167431015.db2.gz HFMHRDTVGIEGIW-MRVPVSSYSA-N -1 3 324.341 0.895 20 30 DCEDHM Cc1nnc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)o1 ZINC001592443451 1167526143 /nfs/dbraw/zinc/52/61/43/1167526143.db2.gz HBCRDHWCJXHWML-UHFFFAOYSA-N -1 3 315.322 0.699 20 30 DCEDHM Cc1nnc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)o1 ZINC001592443451 1167526149 /nfs/dbraw/zinc/52/61/49/1167526149.db2.gz HBCRDHWCJXHWML-UHFFFAOYSA-N -1 3 315.322 0.699 20 30 DCEDHM Cn1c(C(=O)NOc2cccc(C#N)c2)ccc1-c1nnn[n-]1 ZINC001592549959 1167556524 /nfs/dbraw/zinc/55/65/24/1167556524.db2.gz SFESMOXWTJVGIM-UHFFFAOYSA-N -1 3 309.289 0.801 20 30 DCEDHM Cn1c(C(=O)NOc2cccc(C#N)c2)ccc1-c1nn[n-]n1 ZINC001592549959 1167556528 /nfs/dbraw/zinc/55/65/28/1167556528.db2.gz SFESMOXWTJVGIM-UHFFFAOYSA-N -1 3 309.289 0.801 20 30 DCEDHM N#C[C@]1(C(=O)OCc2ccc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001592667459 1167592597 /nfs/dbraw/zinc/59/25/97/1167592597.db2.gz WLLFAGKISNTVJZ-CQSZACIVSA-N -1 3 314.305 0.625 20 30 DCEDHM N#C[C@]1(C(=O)OCc2ccc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001592667459 1167592604 /nfs/dbraw/zinc/59/26/04/1167592604.db2.gz WLLFAGKISNTVJZ-CQSZACIVSA-N -1 3 314.305 0.625 20 30 DCEDHM N#CCCNC(=O)COC(=O)c1sccc1-c1nnn[n-]1 ZINC001592678348 1167598727 /nfs/dbraw/zinc/59/87/27/1167598727.db2.gz SISDGWINGDRAHB-UHFFFAOYSA-N -1 3 306.307 0.115 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1Nc1ccn(CC(N)=O)n1 ZINC001592700531 1167604939 /nfs/dbraw/zinc/60/49/39/1167604939.db2.gz JKHOMVWVDVFBRJ-UHFFFAOYSA-N -1 3 309.293 0.164 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1Nc1ccn(CC(N)=O)n1 ZINC001592700531 1167604943 /nfs/dbraw/zinc/60/49/43/1167604943.db2.gz JKHOMVWVDVFBRJ-UHFFFAOYSA-N -1 3 309.293 0.164 20 30 DCEDHM N#Cc1csc(CNC(=O)c2cc(-c3nnn[n-]3)ccn2)n1 ZINC001592706586 1167606080 /nfs/dbraw/zinc/60/60/80/1167606080.db2.gz YYAIJNMLPXHHRE-UHFFFAOYSA-N -1 3 312.318 0.520 20 30 DCEDHM N#Cc1csc(CNC(=O)c2cc(-c3nn[n-]n3)ccn2)n1 ZINC001592706586 1167606086 /nfs/dbraw/zinc/60/60/86/1167606086.db2.gz YYAIJNMLPXHHRE-UHFFFAOYSA-N -1 3 312.318 0.520 20 30 DCEDHM N#Cc1nc(N)n(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1-c1nnn[n-]1 ZINC001592706513 1167607060 /nfs/dbraw/zinc/60/70/60/1167607060.db2.gz VAXQIODXGFYTNX-NRPADANISA-N -1 3 300.326 0.475 20 30 DCEDHM N#Cc1nc(N)n(C[C@@H]2C[C@@H]3CCC[C@@H]3O2)c1-c1nn[n-]n1 ZINC001592706513 1167607064 /nfs/dbraw/zinc/60/70/64/1167607064.db2.gz VAXQIODXGFYTNX-NRPADANISA-N -1 3 300.326 0.475 20 30 DCEDHM N#Cc1nc(N)n(Cc2ccc(-c3nnn[n-]3)cc2F)c1C#N ZINC001592705365 1167607088 /nfs/dbraw/zinc/60/70/88/1167607088.db2.gz ZUYIRKBIUNFPCJ-UHFFFAOYSA-N -1 3 309.268 0.576 20 30 DCEDHM N#Cc1nc(N)n(Cc2ccc(-c3nn[n-]n3)cc2F)c1C#N ZINC001592705365 1167607093 /nfs/dbraw/zinc/60/70/93/1167607093.db2.gz ZUYIRKBIUNFPCJ-UHFFFAOYSA-N -1 3 309.268 0.576 20 30 DCEDHM N#Cc1cncc(NCCNc2ncccc2-c2nnn[n-]2)n1 ZINC001592704732 1167607576 /nfs/dbraw/zinc/60/75/76/1167607576.db2.gz SNNVMLOICDVGKN-UHFFFAOYSA-N -1 3 308.309 0.447 20 30 DCEDHM N#Cc1cncc(NCCNc2ncccc2-c2nn[n-]n2)n1 ZINC001592704732 1167607580 /nfs/dbraw/zinc/60/75/80/1167607580.db2.gz SNNVMLOICDVGKN-UHFFFAOYSA-N -1 3 308.309 0.447 20 30 DCEDHM O=C(CON=C[C@@H]1CCCO1)Nc1cccc(-c2nnn[n-]2)c1 ZINC001592887160 1167657097 /nfs/dbraw/zinc/65/70/97/1167657097.db2.gz WKRKRDJJPIFKGG-LBPRGKRZSA-N -1 3 316.321 0.987 20 30 DCEDHM O=C(CON=C[C@@H]1CCCO1)Nc1cccc(-c2nn[n-]n2)c1 ZINC001592887160 1167657102 /nfs/dbraw/zinc/65/71/02/1167657102.db2.gz WKRKRDJJPIFKGG-LBPRGKRZSA-N -1 3 316.321 0.987 20 30 DCEDHM O=C(NCC#C[C@@H]1CCCCO1)c1cc(-c2nnn[n-]2)ccn1 ZINC001593005797 1167685527 /nfs/dbraw/zinc/68/55/27/1167685527.db2.gz 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1168587608 /nfs/dbraw/zinc/58/76/08/1168587608.db2.gz YZIMFBLVAOUSQX-HUUCEWRRSA-N -1 3 304.346 0.749 20 30 DCEDHM N#Cc1cccc(CNC(=O)CN[C@@]2(CC(=O)[O-])CCOC2)c1 ZINC001601121968 1168588809 /nfs/dbraw/zinc/58/88/09/1168588809.db2.gz ACYYTCNDYIRJBI-MRXNPFEDSA-N -1 3 317.345 0.398 20 30 DCEDHM N#Cc1nc(C(=O)[O-])ccc1N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001601133824 1168593506 /nfs/dbraw/zinc/59/35/06/1168593506.db2.gz WEKARSMAUJHSID-HUUCEWRRSA-N -1 3 316.361 0.687 20 30 DCEDHM C#CC1(O)CN(C(=O)Cc2c(C)cc(-c3nnn[n-]3)cc2C)C1 ZINC001602690590 1169160890 /nfs/dbraw/zinc/16/08/90/1169160890.db2.gz FXVUXBHMNZWOPA-UHFFFAOYSA-N -1 3 311.345 0.233 20 30 DCEDHM C#CC1(O)CN(C(=O)Cc2c(C)cc(-c3nn[n-]n3)cc2C)C1 ZINC001602690590 1169160893 /nfs/dbraw/zinc/16/08/93/1169160893.db2.gz FXVUXBHMNZWOPA-UHFFFAOYSA-N -1 3 311.345 0.233 20 30 DCEDHM C#CC1(F)CN(C(=O)c2ccc(-c3nnn[n-]3)c(OC)c2)C1 ZINC001602691083 1169162866 /nfs/dbraw/zinc/16/28/66/1169162866.db2.gz ROPSNGFOXCRSIM-UHFFFAOYSA-N -1 3 301.281 0.673 20 30 DCEDHM 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ZINC001588400915 1166550754 /nfs/dbraw/zinc/55/07/54/1166550754.db2.gz IWZJIXJRTYMYFN-JOYOIKCWSA-N -1 3 302.338 0.906 20 30 DCEDHM C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001588405145 1166551628 /nfs/dbraw/zinc/55/16/28/1166551628.db2.gz LXMGVGXCRDDFCF-JTQLQIEISA-N -1 3 323.378 0.472 20 30 DCEDHM C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001588405145 1166551630 /nfs/dbraw/zinc/55/16/30/1166551630.db2.gz LXMGVGXCRDDFCF-JTQLQIEISA-N -1 3 323.378 0.472 20 30 DCEDHM C=C(C)C[C@@H](CO)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588404845 1166552059 /nfs/dbraw/zinc/55/20/59/1166552059.db2.gz KYUGYMJBUGEUPF-ZDUSSCGKSA-N -1 3 316.365 0.722 20 30 DCEDHM C=C(C)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588430123 1166555114 /nfs/dbraw/zinc/55/51/14/1166555114.db2.gz MDCREFRZHXKOQG-UHFFFAOYSA-N -1 3 316.321 0.506 20 30 DCEDHM C=C(C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588430123 1166555121 /nfs/dbraw/zinc/55/51/21/1166555121.db2.gz MDCREFRZHXKOQG-UHFFFAOYSA-N -1 3 316.321 0.506 20 30 DCEDHM C=C(C)CNC(=O)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001588430769 1166555576 /nfs/dbraw/zinc/55/55/76/1166555576.db2.gz SQRKHRRAMMNWNR-UHFFFAOYSA-N -1 3 312.333 0.448 20 30 DCEDHM C=C(C)CNC(=O)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001588430769 1166555583 /nfs/dbraw/zinc/55/55/83/1166555583.db2.gz SQRKHRRAMMNWNR-UHFFFAOYSA-N -1 3 312.333 0.448 20 30 DCEDHM C=CC(C)(C)NC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC001588488964 1166557659 /nfs/dbraw/zinc/55/76/59/1166557659.db2.gz SAHFEOBTGKXQOR-UHFFFAOYSA-N -1 3 316.369 0.937 20 30 DCEDHM C=CC(C)(C)NC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC001588488964 1166557663 /nfs/dbraw/zinc/55/76/63/1166557663.db2.gz SAHFEOBTGKXQOR-UHFFFAOYSA-N -1 3 316.369 0.937 20 30 DCEDHM C=C[C@H](O)C(=O)N(C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001588525900 1166561008 /nfs/dbraw/zinc/56/10/08/1166561008.db2.gz NCFXWMILDCOYSN-ZDUSSCGKSA-N -1 3 317.349 0.389 20 30 DCEDHM C=C[C@H](O)C(=O)N(C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001588525900 1166561011 /nfs/dbraw/zinc/56/10/11/1166561011.db2.gz NCFXWMILDCOYSN-ZDUSSCGKSA-N -1 3 317.349 0.389 20 30 DCEDHM C=C[C@@H](O)C(=O)N(C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001588525899 1166561129 /nfs/dbraw/zinc/56/11/29/1166561129.db2.gz NCFXWMILDCOYSN-CYBMUJFWSA-N -1 3 317.349 0.389 20 30 DCEDHM C=C[C@@H](O)C(=O)N(C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001588525899 1166561132 /nfs/dbraw/zinc/56/11/32/1166561132.db2.gz NCFXWMILDCOYSN-CYBMUJFWSA-N -1 3 317.349 0.389 20 30 DCEDHM C=C[C@@H](O)C(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588525602 1166561181 /nfs/dbraw/zinc/56/11/81/1166561181.db2.gz JEJNMRIHXOCFNV-GFCCVEGCSA-N -1 3 301.306 0.003 20 30 DCEDHM C=CCN1CC[C@@H](N(C)c2nccc(C)c2-c2nnn[n-]2)C1=O ZINC001588654888 1166573748 /nfs/dbraw/zinc/57/37/48/1166573748.db2.gz QOWMYYSDXPCWGM-LLVKDONJSA-N -1 3 313.365 0.793 20 30 DCEDHM C=CCN1CC[C@@H](N(C)c2nccc(C)c2-c2nn[n-]n2)C1=O ZINC001588654888 1166573754 /nfs/dbraw/zinc/57/37/54/1166573754.db2.gz QOWMYYSDXPCWGM-LLVKDONJSA-N -1 3 313.365 0.793 20 30 DCEDHM C=CCOC[C@@H](NCc1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC001588682123 1166578374 /nfs/dbraw/zinc/57/83/74/1166578374.db2.gz WPQNPFPINVKNFX-CYBMUJFWSA-N -1 3 317.349 0.701 20 30 DCEDHM C=CCOC[C@@H](NCc1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC001588682123 1166578380 /nfs/dbraw/zinc/57/83/80/1166578380.db2.gz WPQNPFPINVKNFX-CYBMUJFWSA-N -1 3 317.349 0.701 20 30 DCEDHM C=CCOC[C@H](NCc1csc(-c2nnn[n-]2)c1)C(=O)OC ZINC001588682147 1166578578 /nfs/dbraw/zinc/57/85/78/1166578578.db2.gz XKYTYTCYKUNOTQ-JTQLQIEISA-N -1 3 323.378 0.762 20 30 DCEDHM C=C[C@H](CO)NC(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001588728253 1166582484 /nfs/dbraw/zinc/58/24/84/1166582484.db2.gz PQHFSVZMALIEOT-GFCCVEGCSA-N -1 3 302.338 0.255 20 30 DCEDHM C=C[C@H](CO)NC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001588728253 1166582487 /nfs/dbraw/zinc/58/24/87/1166582487.db2.gz PQHFSVZMALIEOT-GFCCVEGCSA-N -1 3 302.338 0.255 20 30 DCEDHM CC#CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588738382 1166584962 /nfs/dbraw/zinc/58/49/62/1166584962.db2.gz NMYWYKZLPNVSNK-SECBINFHSA-N -1 3 302.294 0.961 20 30 DCEDHM CC#CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588738382 1166584970 /nfs/dbraw/zinc/58/49/70/1166584970.db2.gz NMYWYKZLPNVSNK-SECBINFHSA-N -1 3 302.294 0.961 20 30 DCEDHM C[C@@H](C#N)CNC[C@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001588933898 1166618766 /nfs/dbraw/zinc/61/87/66/1166618766.db2.gz BEKSGBSSDPKZFH-QWRGUYRKSA-N -1 3 302.338 0.356 20 30 DCEDHM C[C@@H](C#N)C(=O)NC1CN(Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001588929089 1166618815 /nfs/dbraw/zinc/61/88/15/1166618815.db2.gz KHQMFYAFRDXNIO-JTQLQIEISA-N -1 3 311.349 0.327 20 30 DCEDHM C[C@@H](C#N)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588930608 1166619749 /nfs/dbraw/zinc/61/97/49/1166619749.db2.gz ACVOFNZSXKMZMM-LSJOCFKGSA-N -1 3 312.337 0.480 20 30 DCEDHM C[C@@H](C#N)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588930608 1166619753 /nfs/dbraw/zinc/61/97/53/1166619753.db2.gz ACVOFNZSXKMZMM-LSJOCFKGSA-N -1 3 312.337 0.480 20 30 DCEDHM C[C@H](C#N)CNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588934370 1166619835 /nfs/dbraw/zinc/61/98/35/1166619835.db2.gz KFWOUJXGUJFSAP-SECBINFHSA-N -1 3 306.351 0.446 20 30 DCEDHM C[C@H](C#N)CNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588934370 1166619839 /nfs/dbraw/zinc/61/98/39/1166619839.db2.gz KFWOUJXGUJFSAP-SECBINFHSA-N -1 3 306.351 0.446 20 30 DCEDHM CC(C)C#CC(=O)N[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001589389809 1166653479 /nfs/dbraw/zinc/65/34/79/1166653479.db2.gz NTPCATIHWHFGSF-LLVKDONJSA-N -1 3 313.365 0.838 20 30 DCEDHM CC(C)C#CC(=O)N[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001589389809 1166653485 /nfs/dbraw/zinc/65/34/85/1166653485.db2.gz NTPCATIHWHFGSF-LLVKDONJSA-N -1 3 313.365 0.838 20 30 DCEDHM CC(C)C#CC(=O)NC1CN(Cc2ccccc2-c2nnn[n-]2)C1 ZINC001589386917 1166654798 /nfs/dbraw/zinc/65/47/98/1166654798.db2.gz FKOHRCDOCBKTRP-UHFFFAOYSA-N -1 3 324.388 0.827 20 30 DCEDHM CC(C)C#CC(=O)NC1CN(Cc2ccccc2-c2nn[n-]n2)C1 ZINC001589386917 1166654815 /nfs/dbraw/zinc/65/48/15/1166654815.db2.gz FKOHRCDOCBKTRP-UHFFFAOYSA-N -1 3 324.388 0.827 20 30 DCEDHM C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC001589787275 1166688076 /nfs/dbraw/zinc/68/80/76/1166688076.db2.gz IZFWANUCBWEAFC-ZETCQYMHSA-N -1 3 317.284 0.363 20 30 DCEDHM C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC001589787275 1166688079 /nfs/dbraw/zinc/68/80/79/1166688079.db2.gz IZFWANUCBWEAFC-ZETCQYMHSA-N -1 3 317.284 0.363 20 30 DCEDHM C[C@@H](NCC#N)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001589955833 1166729674 /nfs/dbraw/zinc/72/96/74/1166729674.db2.gz NADRCVCMABOXBF-NXEZZACHSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@@H](NCC#N)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001589955833 1166729681 /nfs/dbraw/zinc/72/96/81/1166729681.db2.gz NADRCVCMABOXBF-NXEZZACHSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@@]1(C#N)CN(C[C@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001590056689 1166763370 /nfs/dbraw/zinc/76/33/70/1166763370.db2.gz RACRNBKVOIXWIY-DZGCQCFKSA-N -1 3 314.349 0.515 20 30 DCEDHM C[C@@]1(C#N)CN(C[C@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001590056689 1166763376 /nfs/dbraw/zinc/76/33/76/1166763376.db2.gz RACRNBKVOIXWIY-DZGCQCFKSA-N -1 3 314.349 0.515 20 30 DCEDHM CC1(C)CC[C@@H](Cn2c(N)nc(C#N)c2-c2nnn[n-]2)OC1 ZINC001590091462 1166770467 /nfs/dbraw/zinc/77/04/67/1166770467.db2.gz XJRPYHFLDGFUAZ-QMMMGPOBSA-N -1 3 302.342 0.722 20 30 DCEDHM CC1(C)CC[C@@H](Cn2c(N)nc(C#N)c2-c2nn[n-]n2)OC1 ZINC001590091462 1166770470 /nfs/dbraw/zinc/77/04/70/1166770470.db2.gz XJRPYHFLDGFUAZ-QMMMGPOBSA-N -1 3 302.342 0.722 20 30 DCEDHM C[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CN1CC#N ZINC001590235647 1166824062 /nfs/dbraw/zinc/82/40/62/1166824062.db2.gz WYPMMAJWSAYCQG-ONGXEEELSA-N -1 3 314.353 0.301 20 30 DCEDHM C[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CN1CC#N ZINC001590235647 1166824066 /nfs/dbraw/zinc/82/40/66/1166824066.db2.gz WYPMMAJWSAYCQG-ONGXEEELSA-N -1 3 314.353 0.301 20 30 DCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@H]1NCC#N ZINC001590294273 1166845295 /nfs/dbraw/zinc/84/52/95/1166845295.db2.gz ZVJBJKBKLDLHAZ-GXSJLCMTSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@H]1NCC#N ZINC001590294273 1166845298 /nfs/dbraw/zinc/84/52/98/1166845298.db2.gz ZVJBJKBKLDLHAZ-GXSJLCMTSA-N -1 3 314.353 0.159 20 30 DCEDHM CCOC(=O)[C@](C)(O)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590749747 1167003532 /nfs/dbraw/zinc/00/35/32/1167003532.db2.gz AWSUWNHIZSIASA-CQSZACIVSA-N -1 3 316.321 0.464 20 30 DCEDHM CCOC(=O)[C@](C)(O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590749747 1167003538 /nfs/dbraw/zinc/00/35/38/1167003538.db2.gz AWSUWNHIZSIASA-CQSZACIVSA-N -1 3 316.321 0.464 20 30 DCEDHM CN(C)C[C@@](C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001591011892 1167078786 /nfs/dbraw/zinc/07/87/86/1167078786.db2.gz CLLSTCABWSZMBT-GFCCVEGCSA-N -1 3 305.367 0.502 20 30 DCEDHM CN(C)C[C@@](C)(C#N)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001591011892 1167078796 /nfs/dbraw/zinc/07/87/96/1167078796.db2.gz CLLSTCABWSZMBT-GFCCVEGCSA-N -1 3 305.367 0.502 20 30 DCEDHM CN(CC#N)C[C@@H]1CCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001591037634 1167088966 /nfs/dbraw/zinc/08/89/66/1167088966.db2.gz SUPPNOUHUSVQOD-JTQLQIEISA-N -1 3 314.353 0.255 20 30 DCEDHM CN(CC#N)C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591037634 1167088972 /nfs/dbraw/zinc/08/89/72/1167088972.db2.gz SUPPNOUHUSVQOD-JTQLQIEISA-N -1 3 314.353 0.255 20 30 DCEDHM COC(=O)[C@](C)(O)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001591229439 1167168853 /nfs/dbraw/zinc/16/88/53/1167168853.db2.gz RUJFWCHMCCIROU-CYBMUJFWSA-N -1 3 302.294 0.074 20 30 DCEDHM COC(=O)[C@](C)(O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001591229439 1167168855 /nfs/dbraw/zinc/16/88/55/1167168855.db2.gz RUJFWCHMCCIROU-CYBMUJFWSA-N -1 3 302.294 0.074 20 30 DCEDHM COCC[C@@](C)(C#N)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001591397456 1167266241 /nfs/dbraw/zinc/26/62/41/1167266241.db2.gz MFUHFQBYVZIRDF-HNNXBMFYSA-N -1 3 314.349 0.844 20 30 DCEDHM COCC[C@@](C)(C#N)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001591397456 1167266246 /nfs/dbraw/zinc/26/62/46/1167266246.db2.gz MFUHFQBYVZIRDF-HNNXBMFYSA-N -1 3 314.349 0.844 20 30 DCEDHM COCCN(CC#N)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001591421557 1167279033 /nfs/dbraw/zinc/27/90/33/1167279033.db2.gz BQGZRKWHAMHWQI-UHFFFAOYSA-N -1 3 300.322 0.787 20 30 DCEDHM COCCN(CC#N)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001591421557 1167279042 /nfs/dbraw/zinc/27/90/42/1167279042.db2.gz BQGZRKWHAMHWQI-UHFFFAOYSA-N -1 3 300.322 0.787 20 30 DCEDHM Cc1cc(C(=O)NCc2ccc(-c3nnn[n-]3)cn2)ncc1C#N ZINC001591930118 1167421004 /nfs/dbraw/zinc/42/10/04/1167421004.db2.gz VUVZPCOELTYPTB-UHFFFAOYSA-N -1 3 320.316 0.767 20 30 DCEDHM Cc1cc(C(=O)NCc2ccc(-c3nn[n-]n3)cn2)ncc1C#N ZINC001591930118 1167421007 /nfs/dbraw/zinc/42/10/07/1167421007.db2.gz VUVZPCOELTYPTB-UHFFFAOYSA-N -1 3 320.316 0.767 20 30 DCEDHM Cc1noc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)n1 ZINC001592462734 1167531911 /nfs/dbraw/zinc/53/19/11/1167531911.db2.gz UBCZCQRHCOIYQM-UHFFFAOYSA-N -1 3 315.322 0.699 20 30 DCEDHM Cc1noc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)n1 ZINC001592462734 1167531914 /nfs/dbraw/zinc/53/19/14/1167531914.db2.gz UBCZCQRHCOIYQM-UHFFFAOYSA-N -1 3 315.322 0.699 20 30 DCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CCOC1 ZINC001592665072 1167591284 /nfs/dbraw/zinc/59/12/84/1167591284.db2.gz CIJFCKULJYHVOZ-CHWSQXEVSA-N -1 3 312.333 0.454 20 30 DCEDHM N#CC1(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)COC1 ZINC001592668990 1167591570 /nfs/dbraw/zinc/59/15/70/1167591570.db2.gz CPJWOEOPDZBSGS-AATRIKPKSA-N -1 3 311.301 0.963 20 30 DCEDHM N#CC1(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)COC1 ZINC001592668990 1167591573 /nfs/dbraw/zinc/59/15/73/1167591573.db2.gz CPJWOEOPDZBSGS-AATRIKPKSA-N -1 3 311.301 0.963 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCCO ZINC001592669828 1167593515 /nfs/dbraw/zinc/59/35/15/1167593515.db2.gz UXQPTRHDAYRNBS-ZDUSSCGKSA-N -1 3 315.333 0.865 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCCO ZINC001592669828 1167593522 /nfs/dbraw/zinc/59/35/22/1167593522.db2.gz UXQPTRHDAYRNBS-ZDUSSCGKSA-N -1 3 315.333 0.865 20 30 DCEDHM N#C[C@@]1(F)CCN(CC(=O)Nc2sccc2-c2nnn[n-]2)C1 ZINC001592670615 1167594644 /nfs/dbraw/zinc/59/46/44/1167594644.db2.gz IBAGRMLXAYWSLS-LBPRGKRZSA-N -1 3 321.341 0.804 20 30 DCEDHM N#C[C@@]1(F)CCN(CC(=O)Nc2sccc2-c2nn[n-]n2)C1 ZINC001592670615 1167594653 /nfs/dbraw/zinc/59/46/53/1167594653.db2.gz IBAGRMLXAYWSLS-LBPRGKRZSA-N -1 3 321.341 0.804 20 30 DCEDHM N#CCN[C@H]1CC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001592678562 1167598836 /nfs/dbraw/zinc/59/88/36/1167598836.db2.gz ANAIQEFMEGXMKZ-MGCOHNPYSA-N -1 3 314.353 0.349 20 30 DCEDHM N#CCN[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001592678562 1167598840 /nfs/dbraw/zinc/59/88/40/1167598840.db2.gz ANAIQEFMEGXMKZ-MGCOHNPYSA-N -1 3 314.353 0.349 20 30 DCEDHM N#CCCN1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001592677534 1167599653 /nfs/dbraw/zinc/59/96/53/1167599653.db2.gz CDEOPCSPDJMVKJ-UHFFFAOYSA-N -1 3 318.772 0.951 20 30 DCEDHM N#CCCN1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001592677534 1167599661 /nfs/dbraw/zinc/59/96/61/1167599661.db2.gz CDEOPCSPDJMVKJ-UHFFFAOYSA-N -1 3 318.772 0.951 20 30 DCEDHM N#CCNC[C@@H]1CCCCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001592678728 1167599855 /nfs/dbraw/zinc/59/98/55/1167599855.db2.gz MQPIIUAOCKDQML-JTQLQIEISA-N -1 3 314.353 0.303 20 30 DCEDHM N#CCNC[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001592678728 1167599863 /nfs/dbraw/zinc/59/98/63/1167599863.db2.gz MQPIIUAOCKDQML-JTQLQIEISA-N -1 3 314.353 0.303 20 30 DCEDHM N#Cc1nc(N)n(Cc2ccnc(Cl)c2)c1-c1nnn[n-]1 ZINC001592704300 1167603901 /nfs/dbraw/zinc/60/39/01/1167603901.db2.gz BHYDFGZYGWQFTP-UHFFFAOYSA-N -1 3 301.701 0.614 20 30 DCEDHM N#Cc1nc(N)n(Cc2ccnc(Cl)c2)c1-c1nn[n-]n1 ZINC001592704300 1167603905 /nfs/dbraw/zinc/60/39/05/1167603905.db2.gz BHYDFGZYGWQFTP-UHFFFAOYSA-N -1 3 301.701 0.614 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1nc2ncccn2n1 ZINC001592699857 1167604674 /nfs/dbraw/zinc/60/46/74/1167604674.db2.gz PRTCNSMYZDVKGH-UHFFFAOYSA-N -1 3 318.304 0.788 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1nc2ncccn2n1 ZINC001592699857 1167604677 /nfs/dbraw/zinc/60/46/77/1167604677.db2.gz 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3 323.353 0.789 20 30 DCEDHM C#C[C@H](CO)NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C ZINC001602689874 1169160947 /nfs/dbraw/zinc/16/09/47/1169160947.db2.gz WFDGMQYLCIXRMT-MRVPVSSYSA-N -1 3 304.285 0.430 20 30 DCEDHM C#C[C@H](CO)NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C ZINC001602689874 1169160949 /nfs/dbraw/zinc/16/09/49/1169160949.db2.gz WFDGMQYLCIXRMT-MRVPVSSYSA-N -1 3 304.285 0.430 20 30 DCEDHM C#C[C@@H]1COCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001602696174 1169162984 /nfs/dbraw/zinc/16/29/84/1169162984.db2.gz DHKKARZSGBIAGH-CYBMUJFWSA-N -1 3 312.333 0.139 20 30 DCEDHM C#C[C@@H]1COCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001602696174 1169162985 /nfs/dbraw/zinc/16/29/85/1169162985.db2.gz DHKKARZSGBIAGH-CYBMUJFWSA-N -1 3 312.333 0.139 20 30 DCEDHM C#CCC1(NS(=O)(=O)c2cncc(-c3nnn[n-]3)c2)CCC1 ZINC001602699814 1169163887 /nfs/dbraw/zinc/16/38/87/1169163887.db2.gz LKDDSHKPWRLVTP-UHFFFAOYSA-N -1 3 318.362 0.486 20 30 DCEDHM C#CCC1(NS(=O)(=O)c2cncc(-c3nn[n-]n3)c2)CCC1 ZINC001602699814 1169163894 /nfs/dbraw/zinc/16/38/94/1169163894.db2.gz LKDDSHKPWRLVTP-UHFFFAOYSA-N -1 3 318.362 0.486 20 30 DCEDHM C#CC[C@@H](NC(=O)c1sccc1-c1nnn[n-]1)C(=O)OC ZINC001602697016 1169164077 /nfs/dbraw/zinc/16/40/77/1169164077.db2.gz IRBLPYNZEFGQJV-MRVPVSSYSA-N -1 3 305.319 0.223 20 30 DCEDHM C#CCN(C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001602716935 1169168771 /nfs/dbraw/zinc/16/87/71/1169168771.db2.gz VYZHOABOOREZOB-AWEZNQCLSA-N -1 3 310.361 0.927 20 30 DCEDHM C#CCN(C(=O)c1ccc(-c2nnn[n-]2)n1C)c1nccs1 ZINC001602716785 1169168778 /nfs/dbraw/zinc/16/87/78/1169168778.db2.gz PZVRKHPUCYAGNV-UHFFFAOYSA-N -1 3 313.346 0.942 20 30 DCEDHM C#CCN(C(=O)c1ccc(-c2nn[n-]n2)n1C)c1nccs1 ZINC001602716785 1169168780 /nfs/dbraw/zinc/16/87/80/1169168780.db2.gz PZVRKHPUCYAGNV-UHFFFAOYSA-N -1 3 313.346 0.942 20 30 DCEDHM C#CCN(CC#N)C(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001602720303 1169169901 /nfs/dbraw/zinc/16/99/01/1169169901.db2.gz TXHCFLKKSSONOJ-UHFFFAOYSA-N -1 3 309.333 0.532 20 30 DCEDHM 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C=CCNC(=O)CNc1cc(-c2nnn[n-]2)ccc1C(C)=O ZINC001602862766 1169193619 /nfs/dbraw/zinc/19/36/19/1169193619.db2.gz IGTJOLXNQZMXPK-UHFFFAOYSA-N -1 3 300.322 0.783 20 30 DCEDHM C=CCNC(=O)CNc1cc(-c2nn[n-]n2)ccc1C(C)=O ZINC001602862766 1169193628 /nfs/dbraw/zinc/19/36/28/1169193628.db2.gz IGTJOLXNQZMXPK-UHFFFAOYSA-N -1 3 300.322 0.783 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001602889280 1169199855 /nfs/dbraw/zinc/19/98/55/1169199855.db2.gz GYKZLRAIJQWVEB-ZDUSSCGKSA-N -1 3 314.349 0.169 20 30 DCEDHM C=CCN1CCC(NC(=O)Cn2cccc(C(=O)[O-])c2=O)CC1 ZINC001602898739 1169200053 /nfs/dbraw/zinc/20/00/53/1169200053.db2.gz XCGMATIMPLGLFO-UHFFFAOYSA-N -1 3 319.361 0.313 20 30 DCEDHM CC#CCCNC(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC001602893668 1169200445 /nfs/dbraw/zinc/20/04/45/1169200445.db2.gz CAEKXWMYFCIHKZ-UHFFFAOYSA-N -1 3 312.333 0.643 20 30 DCEDHM CC#CCCNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC001602893668 1169200451 /nfs/dbraw/zinc/20/04/51/1169200451.db2.gz 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C=CCCN(C)C(=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588603610 1166567551 /nfs/dbraw/zinc/56/75/51/1166567551.db2.gz RFGXJHPBTFOGTO-UHFFFAOYSA-N -1 3 314.349 0.517 20 30 DCEDHM C=CCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588626296 1166570056 /nfs/dbraw/zinc/57/00/56/1166570056.db2.gz GCLUBLRKAGFHMM-UHFFFAOYSA-N -1 3 316.321 0.458 20 30 DCEDHM C=CCN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588626296 1166570064 /nfs/dbraw/zinc/57/00/64/1166570064.db2.gz GCLUBLRKAGFHMM-UHFFFAOYSA-N -1 3 316.321 0.458 20 30 DCEDHM C=CCO[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)ccn2)C1 ZINC001588665694 1166578207 /nfs/dbraw/zinc/57/82/07/1166578207.db2.gz PVNYRZVYGRMJGL-NSHDSACASA-N -1 3 300.322 0.679 20 30 DCEDHM C=CCO[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)ccn2)C1 ZINC001588665694 1166578212 /nfs/dbraw/zinc/57/82/12/1166578212.db2.gz PVNYRZVYGRMJGL-NSHDSACASA-N -1 3 300.322 0.679 20 30 DCEDHM CC#CC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)[O-] ZINC001588739090 1166584454 /nfs/dbraw/zinc/58/44/54/1166584454.db2.gz 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C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H](C)N1CC#N ZINC001590293691 1166843773 /nfs/dbraw/zinc/84/37/73/1166843773.db2.gz IRUIPCQZJBDEDX-UWVGGRQHSA-N -1 3 314.353 0.253 20 30 DCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H](C)N1CC#N ZINC001590293691 1166843777 /nfs/dbraw/zinc/84/37/77/1166843777.db2.gz IRUIPCQZJBDEDX-UWVGGRQHSA-N -1 3 314.353 0.253 20 30 DCEDHM C[C@H]1OCC[C@@]1(O)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590333108 1166871433 /nfs/dbraw/zinc/87/14/33/1166871433.db2.gz CDCQUVXOSQMHAH-YMTOWFKASA-N -1 3 300.322 0.690 20 30 DCEDHM C[C@H]1OCC[C@@]1(O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590333108 1166871438 /nfs/dbraw/zinc/87/14/38/1166871438.db2.gz CDCQUVXOSQMHAH-YMTOWFKASA-N -1 3 300.322 0.690 20 30 DCEDHM CCCN(CCC)C(=O)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001590623083 1166951883 /nfs/dbraw/zinc/95/18/83/1166951883.db2.gz VHODIPVRCKDLMX-UHFFFAOYSA-N -1 3 302.342 0.583 20 30 DCEDHM CCN(C(=O)CNc1ccc(-c2nnn[n-]2)cn1)[C@H](C)C#N ZINC001590668619 1166962430 /nfs/dbraw/zinc/96/24/30/1166962430.db2.gz OVMHDQMNAFCZQY-SECBINFHSA-N -1 3 300.326 0.434 20 30 DCEDHM CCN(C(=O)CNc1ccc(-c2nn[n-]n2)cn1)[C@H](C)C#N ZINC001590668619 1166962436 /nfs/dbraw/zinc/96/24/36/1166962436.db2.gz OVMHDQMNAFCZQY-SECBINFHSA-N -1 3 300.326 0.434 20 30 DCEDHM CCN(CC#N)[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001590680140 1166968313 /nfs/dbraw/zinc/96/83/13/1166968313.db2.gz XDYXTHRBCZJLGM-GFCCVEGCSA-N -1 3 300.322 0.926 20 30 DCEDHM CCN(CC#N)[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001590680140 1166968318 /nfs/dbraw/zinc/96/83/18/1166968318.db2.gz XDYXTHRBCZJLGM-GFCCVEGCSA-N -1 3 300.322 0.926 20 30 DCEDHM CN(C)C(=O)NCCN(C)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001591003160 1167071568 /nfs/dbraw/zinc/07/15/68/1167071568.db2.gz KZDLKDHXMIVPTE-UHFFFAOYSA-N -1 3 314.353 0.446 20 30 DCEDHM CN(C)C(=O)NCCN(C)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001591003160 1167071571 /nfs/dbraw/zinc/07/15/71/1167071571.db2.gz KZDLKDHXMIVPTE-UHFFFAOYSA-N -1 3 314.353 0.446 20 30 DCEDHM CNC(=O)[C@H](C#N)C(=O)[C@@H]1C[C@H]1c1cccc(-c2nn[n-]n2)c1 ZINC001591198325 1167147152 /nfs/dbraw/zinc/14/71/52/1167147152.db2.gz QAGDQIRKKUNQRH-QJPTWQEYSA-N -1 3 310.317 0.425 20 30 DCEDHM CNC(=O)[C@H](C#N)C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591198137 1167148675 /nfs/dbraw/zinc/14/86/75/1167148675.db2.gz GZVINAXKPYCKHA-BXKDBHETSA-N -1 3 312.333 0.500 20 30 DCEDHM COC(=O)CCN(CC#N)Cc1ccncc1-c1nnn[n-]1 ZINC001591264262 1167186572 /nfs/dbraw/zinc/18/65/72/1167186572.db2.gz DIUHNZDODMHKDK-UHFFFAOYSA-N -1 3 301.310 0.150 20 30 DCEDHM COC(=O)CCN(CC#N)Cc1ccncc1-c1nn[n-]n1 ZINC001591264262 1167186574 /nfs/dbraw/zinc/18/65/74/1167186574.db2.gz DIUHNZDODMHKDK-UHFFFAOYSA-N -1 3 301.310 0.150 20 30 DCEDHM COc1cc(C=NNC(=S)NC2CC2)ccc1-c1nnn[n-]1 ZINC001591523198 1167323400 /nfs/dbraw/zinc/32/34/00/1167323400.db2.gz QIQKLNRBPMZECM-UHFFFAOYSA-N -1 3 317.378 0.836 20 30 DCEDHM COc1cc(C=NNC(=S)NC2CC2)ccc1-c1nn[n-]n1 ZINC001591523198 1167323405 /nfs/dbraw/zinc/32/34/05/1167323405.db2.gz QIQKLNRBPMZECM-UHFFFAOYSA-N -1 3 317.378 0.836 20 30 DCEDHM Cc1cc(N2CCO[C@@H](C#N)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592007249 1167432822 /nfs/dbraw/zinc/43/28/22/1167432822.db2.gz KTYVZBDNJPFIOZ-VIFPVBQESA-N -1 3 315.293 0.812 20 30 DCEDHM Cc1cc(N2CCO[C@@H](C#N)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592007249 1167432827 /nfs/dbraw/zinc/43/28/27/1167432827.db2.gz KTYVZBDNJPFIOZ-VIFPVBQESA-N -1 3 315.293 0.812 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)NC1CCCC1 ZINC001592340137 1167494787 /nfs/dbraw/zinc/49/47/87/1167494787.db2.gz DIJYHWLVDPNIIU-UHFFFAOYSA-N -1 3 300.326 0.302 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)NC1CCCC1 ZINC001592340137 1167494791 /nfs/dbraw/zinc/49/47/91/1167494791.db2.gz DIJYHWLVDPNIIU-UHFFFAOYSA-N -1 3 300.326 0.302 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1nc(C2CCC2)no1 ZINC001592340694 1167495290 /nfs/dbraw/zinc/49/52/90/1167495290.db2.gz YCXBRTJEPZMDMZ-UHFFFAOYSA-N -1 3 311.309 0.942 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1nc(C2CCC2)no1 ZINC001592340694 1167495296 /nfs/dbraw/zinc/49/52/96/1167495296.db2.gz YCXBRTJEPZMDMZ-UHFFFAOYSA-N -1 3 311.309 0.942 20 30 DCEDHM N#C[C@@]1(C(=O)NCc2ccc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001592669659 1167591292 /nfs/dbraw/zinc/59/12/92/1167591292.db2.gz QVNLBRLRMUQESU-AWEZNQCLSA-N -1 3 313.321 0.198 20 30 DCEDHM N#C[C@@]1(C(=O)NCc2ccc(-c3nn[n-]n3)cn2)CCCOC1 ZINC001592669659 1167591296 /nfs/dbraw/zinc/59/12/96/1167591296.db2.gz QVNLBRLRMUQESU-AWEZNQCLSA-N -1 3 313.321 0.198 20 30 DCEDHM N#CC1(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCOCC1 ZINC001592668675 1167591339 /nfs/dbraw/zinc/59/13/39/1167591339.db2.gz OGFWDYQMGDLLDU-UHFFFAOYSA-N -1 3 301.310 0.245 20 30 DCEDHM N#CC1(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCOCC1 ZINC001592668675 1167591344 /nfs/dbraw/zinc/59/13/44/1167591344.db2.gz OGFWDYQMGDLLDU-UHFFFAOYSA-N -1 3 301.310 0.245 20 30 DCEDHM N#CC[C@@H](C(=O)n1ncc(-c2nnn[n-]2)c1N)c1ccccc1 ZINC001592674529 1167596994 /nfs/dbraw/zinc/59/69/94/1167596994.db2.gz FJTPTWVKELVEQY-SNVBAGLBSA-N -1 3 308.305 0.983 20 30 DCEDHM N#CC[C@@H](NC(=O)c1cc(-c2nnn[n-]2)ccn1)C(F)(F)F ZINC001592675994 1167597617 /nfs/dbraw/zinc/59/76/17/1167597617.db2.gz YYHKPWVMAZPHOI-MRVPVSSYSA-N -1 3 311.227 0.836 20 30 DCEDHM N#CC[C@@H](NC(=O)c1cc(-c2nn[n-]n2)ccn1)C(F)(F)F ZINC001592675994 1167597621 /nfs/dbraw/zinc/59/76/21/1167597621.db2.gz YYHKPWVMAZPHOI-MRVPVSSYSA-N -1 3 311.227 0.836 20 30 DCEDHM N#CCCCNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001592676637 1167597634 /nfs/dbraw/zinc/59/76/34/1167597634.db2.gz ZUFQMZOCMKWBMC-UHFFFAOYSA-N -1 3 324.341 0.729 20 30 DCEDHM N#CCCCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001592676637 1167597638 /nfs/dbraw/zinc/59/76/38/1167597638.db2.gz ZUFQMZOCMKWBMC-UHFFFAOYSA-N -1 3 324.341 0.729 20 30 DCEDHM N#C[C@H]1C[C@H]1C(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592681357 1167599055 /nfs/dbraw/zinc/59/90/55/1167599055.db2.gz SEPNYRLPCJEBHC-ZWNOBZJWSA-N -1 3 310.317 0.616 20 30 DCEDHM N#Cc1cc(NCCNc2ccc(-c3nnn[n-]3)cn2)ncn1 ZINC001592690383 1167601442 /nfs/dbraw/zinc/60/14/42/1167601442.db2.gz XKZIMQJSZOJKOS-UHFFFAOYSA-N -1 3 308.309 0.447 20 30 DCEDHM N#Cc1cc(NCCNc2ccc(-c3nn[n-]n3)cn2)ncn1 ZINC001592690383 1167601450 /nfs/dbraw/zinc/60/14/50/1167601450.db2.gz XKZIMQJSZOJKOS-UHFFFAOYSA-N -1 3 308.309 0.447 20 30 DCEDHM N#Cc1ccc(NC(=O)[C@]2(F)CCOC2)cc1-c1nnn[n-]1 ZINC001592695376 1167602474 /nfs/dbraw/zinc/60/24/74/1167602474.db2.gz OOXDDFFRYMRHAC-ZDUSSCGKSA-N -1 3 302.269 0.805 20 30 DCEDHM N#Cc1ccc(NC(=O)[C@]2(F)CCOC2)cc1-c1nn[n-]n1 ZINC001592695376 1167602478 /nfs/dbraw/zinc/60/24/78/1167602478.db2.gz OOXDDFFRYMRHAC-ZDUSSCGKSA-N -1 3 302.269 0.805 20 30 DCEDHM N#Cc1ccc(=O)n(CC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC001592690230 1167602516 /nfs/dbraw/zinc/60/25/16/1167602516.db2.gz PDJGHJYLSXKKIQ-UHFFFAOYSA-N -1 3 320.312 0.712 20 30 DCEDHM N#Cc1ccc(=O)n(CC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC001592690230 1167602519 /nfs/dbraw/zinc/60/25/19/1167602519.db2.gz PDJGHJYLSXKKIQ-UHFFFAOYSA-N -1 3 320.312 0.712 20 30 DCEDHM N#Cc1nc(N)n(CCOc2ccccc2F)c1-c1nnn[n-]1 ZINC001592704332 1167603975 /nfs/dbraw/zinc/60/39/75/1167603975.db2.gz DAUFHXJYLNNDPK-UHFFFAOYSA-N -1 3 314.284 0.735 20 30 DCEDHM N#Cc1nc(N)n(CCOc2ccccc2F)c1-c1nn[n-]n1 ZINC001592704332 1167603977 /nfs/dbraw/zinc/60/39/77/1167603977.db2.gz DAUFHXJYLNNDPK-UHFFFAOYSA-N -1 3 314.284 0.735 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001592699833 1167604580 /nfs/dbraw/zinc/60/45/80/1167604580.db2.gz OMHKUQRBWZROGT-WZRBSPASSA-N -1 3 312.333 0.954 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC001592699833 1167604582 /nfs/dbraw/zinc/60/45/82/1167604582.db2.gz OMHKUQRBWZROGT-WZRBSPASSA-N -1 3 312.333 0.954 20 30 DCEDHM N#Cc1nc(N)n(CCOc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC001592704799 1167607485 /nfs/dbraw/zinc/60/74/85/1167607485.db2.gz ORSUHPXODHQJJU-UHFFFAOYSA-N -1 3 321.304 0.468 20 30 DCEDHM N#Cc1nc(N)n(CCOc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC001592704799 1167607490 /nfs/dbraw/zinc/60/74/90/1167607490.db2.gz ORSUHPXODHQJJU-UHFFFAOYSA-N -1 3 321.304 0.468 20 30 DCEDHM N#Cc1ncn(Cc2nncn2-c2ccccc2)c1-c1nnn[n-]1 ZINC001592709459 1167609020 /nfs/dbraw/zinc/60/90/20/1167609020.db2.gz GQYUYUCIMMKJLQ-UHFFFAOYSA-N -1 3 318.304 0.564 20 30 DCEDHM NC(=O)[C@H](OC(=O)C#CC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001592716683 1167610949 /nfs/dbraw/zinc/61/09/49/1167610949.db2.gz KVRSUVOUKQESPQ-CYBMUJFWSA-N -1 3 311.301 0.350 20 30 DCEDHM NC(=O)[C@H](OC(=O)C#CC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001592716683 1167610950 /nfs/dbraw/zinc/61/09/50/1167610950.db2.gz KVRSUVOUKQESPQ-CYBMUJFWSA-N -1 3 311.301 0.350 20 30 DCEDHM C#CCN1CCC[C@H]1C(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001595611721 1167973537 /nfs/dbraw/zinc/97/35/37/1167973537.db2.gz XYBNCBOPFKEHNJ-ZDUSSCGKSA-N -1 3 300.362 0.773 20 30 DCEDHM C=CCOCC(=O)N[C@@H]1CCCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001595960731 1167984695 /nfs/dbraw/zinc/98/46/95/1167984695.db2.gz XLEUYPAATRLUAT-GFCCVEGCSA-N -1 3 306.366 0.778 20 30 DCEDHM Cc1c(C(=O)O[C@H]2C[C@@H](C(=O)[O-])N(C)C2)cnn1CCC#N ZINC001600004830 1168088286 /nfs/dbraw/zinc/08/82/86/1168088286.db2.gz CZSMFVXNGMZHDZ-JQWIXIFHSA-N -1 3 306.322 0.419 20 30 DCEDHM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H](N)CCC(=O)[O-] ZINC001600307234 1168162818 /nfs/dbraw/zinc/16/28/18/1168162818.db2.gz ZQMOXNWHTWONRQ-JTQLQIEISA-N -1 3 301.306 0.874 20 30 DCEDHM C#C[C@H](CO)Nc1ncc(-c2nn[n-]n2)cc1Br ZINC001602687953 1169161062 /nfs/dbraw/zinc/16/10/62/1169161062.db2.gz GDVQRAGWFBYDKO-SSDOTTSWSA-N -1 3 309.127 0.430 20 30 DCEDHM C#C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001602689997 1169160926 /nfs/dbraw/zinc/16/09/26/1169160926.db2.gz XYCIPAYNQMSOJJ-WDEREUQCSA-N -1 3 313.321 0.564 20 30 DCEDHM C#C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001602689997 1169160929 /nfs/dbraw/zinc/16/09/29/1169160929.db2.gz XYCIPAYNQMSOJJ-WDEREUQCSA-N -1 3 313.321 0.564 20 30 DCEDHM C#C[C@H](CO)Nc1ncc(-c2nnn[n-]2)cc1Br ZINC001602687953 1169161058 /nfs/dbraw/zinc/16/10/58/1169161058.db2.gz GDVQRAGWFBYDKO-SSDOTTSWSA-N -1 3 309.127 0.430 20 30 DCEDHM C#CCN(C)CCCNC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC001602713470 1169167687 /nfs/dbraw/zinc/16/76/87/1169167687.db2.gz FGLHUDFIKDFPRG-UHFFFAOYSA-N -1 3 321.381 0.779 20 30 DCEDHM C#CCN(C1CC1)S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001602719759 1169169957 /nfs/dbraw/zinc/16/99/57/1169169957.db2.gz HEXWLAUFJUPMMN-UHFFFAOYSA-N -1 3 317.374 0.961 20 30 DCEDHM C#CCN(C1CC1)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001602719759 1169169960 /nfs/dbraw/zinc/16/99/60/1169169960.db2.gz HEXWLAUFJUPMMN-UHFFFAOYSA-N -1 3 317.374 0.961 20 30 DCEDHM C#CCN1CCCN(C(=O)c2ccsc2-c2nnn[n-]2)CC1 ZINC001602721854 1169172158 /nfs/dbraw/zinc/17/21/58/1169172158.db2.gz ZBOSZGNFMOOTOE-UHFFFAOYSA-N -1 3 316.390 0.709 20 30 DCEDHM C#CCN1CCCN(C(=O)c2ccsc2-c2nn[n-]n2)CC1 ZINC001602721854 1169172161 /nfs/dbraw/zinc/17/21/61/1169172161.db2.gz ZBOSZGNFMOOTOE-UHFFFAOYSA-N -1 3 316.390 0.709 20 30 DCEDHM C=C(CO)C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC001602768427 1169181179 /nfs/dbraw/zinc/18/11/79/1169181179.db2.gz XMJMMALCVKOVBI-UHFFFAOYSA-N -1 3 319.390 0.765 20 30 DCEDHM C=C(CO)C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC001602768427 1169181184 /nfs/dbraw/zinc/18/11/84/1169181184.db2.gz XMJMMALCVKOVBI-UHFFFAOYSA-N -1 3 319.390 0.765 20 30 DCEDHM C=C[C@](C)(O)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001602796165 1169184913 /nfs/dbraw/zinc/18/49/13/1169184913.db2.gz ZVDGFOYPLVMMBA-AWEZNQCLSA-N -1 3 303.322 0.299 20 30 DCEDHM C=CC[C@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001602815901 1169186265 /nfs/dbraw/zinc/18/62/65/1169186265.db2.gz DVDLATBXZKLGLP-JTQLQIEISA-N -1 3 302.338 0.485 20 30 DCEDHM C=CC[C@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001602815901 1169186271 /nfs/dbraw/zinc/18/62/71/1169186271.db2.gz DVDLATBXZKLGLP-JTQLQIEISA-N -1 3 302.338 0.485 20 30 DCEDHM C=C[C@H](O)c1nnc(N2Cc3ccc(-c4nnn[n-]4)cc3C2)n1C ZINC001602804945 1169186847 /nfs/dbraw/zinc/18/68/47/1169186847.db2.gz XHWRCBXITUJBSL-LBPRGKRZSA-N -1 3 324.348 0.735 20 30 DCEDHM C=C[C@H](O)c1nnc(N2Cc3ccc(-c4nn[n-]n4)cc3C2)n1C ZINC001602804945 1169186850 /nfs/dbraw/zinc/18/68/50/1169186850.db2.gz XHWRCBXITUJBSL-LBPRGKRZSA-N -1 3 324.348 0.735 20 30 DCEDHM C=CCCn1cc(C(=O)NCc2cccc(-c3nnn[n-]3)c2)nn1 ZINC001602846363 1169192974 /nfs/dbraw/zinc/19/29/74/1169192974.db2.gz JHCCAFFTHVDNBL-UHFFFAOYSA-N -1 3 324.348 0.964 20 30 DCEDHM C=CCCn1cc(C(=O)NCc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001602846363 1169192977 /nfs/dbraw/zinc/19/29/77/1169192977.db2.gz JHCCAFFTHVDNBL-UHFFFAOYSA-N -1 3 324.348 0.964 20 30 DCEDHM C=CCN1CC[C@@H](OC(=O)c2ccc(-c3nnn[n-]3)cn2)C1=O ZINC001602862538 1169194420 /nfs/dbraw/zinc/19/44/20/1169194420.db2.gz JNWBJRSDKQDWSB-LLVKDONJSA-N -1 3 314.305 0.205 20 30 DCEDHM C=CCN1CC[C@@H](OC(=O)c2ccc(-c3nn[n-]n3)cn2)C1=O ZINC001602862538 1169194423 /nfs/dbraw/zinc/19/44/23/1169194423.db2.gz JNWBJRSDKQDWSB-LLVKDONJSA-N -1 3 314.305 0.205 20 30 DCEDHM C=CCONC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC001602871303 1169196484 /nfs/dbraw/zinc/19/64/84/1169196484.db2.gz SIHYFEULWSBWPC-UHFFFAOYSA-N -1 3 304.314 0.090 20 30 DCEDHM C=CCONC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC001602871303 1169196488 /nfs/dbraw/zinc/19/64/88/1169196488.db2.gz SIHYFEULWSBWPC-UHFFFAOYSA-N -1 3 304.314 0.090 20 30 DCEDHM C=CCn1nnnc1SCc1cc(-c2nnn[n-]2)ccn1 ZINC001602884260 1169197762 /nfs/dbraw/zinc/19/77/62/1169197762.db2.gz XECSZNSQBGZULQ-UHFFFAOYSA-N -1 3 301.339 0.727 20 30 DCEDHM C=CCn1nnnc1SCc1cc(-c2nn[n-]n2)ccn1 ZINC001602884260 1169197763 /nfs/dbraw/zinc/19/77/63/1169197763.db2.gz XECSZNSQBGZULQ-UHFFFAOYSA-N -1 3 301.339 0.727 20 30 DCEDHM C=CCn1c(CO)nnc1N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001602880560 1169198665 /nfs/dbraw/zinc/19/86/65/1169198665.db2.gz ZVYLTLXRFPTXLP-UHFFFAOYSA-N -1 3 324.348 0.657 20 30 DCEDHM C=CCn1c(CO)nnc1N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001602880560 1169198669 /nfs/dbraw/zinc/19/86/69/1169198669.db2.gz ZVYLTLXRFPTXLP-UHFFFAOYSA-N -1 3 324.348 0.657 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001602888655 1169200978 /nfs/dbraw/zinc/20/09/78/1169200978.db2.gz WHXBFBQJHVHOGZ-MNOVXSKESA-N -1 3 321.362 0.489 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001602888655 1169200982 /nfs/dbraw/zinc/20/09/82/1169200982.db2.gz WHXBFBQJHVHOGZ-MNOVXSKESA-N -1 3 321.362 0.489 20 30 DCEDHM C[C@H](C#N)C(=O)NC/C=C/CNc1ncccc1-c1nnn[n-]1 ZINC001602983626 1169223287 /nfs/dbraw/zinc/22/32/87/1169223287.db2.gz KXVSSOBTYSCKFU-VMZHVLLKSA-N -1 3 312.337 0.506 20 30 DCEDHM C[C@H](C#N)C(=O)NC/C=C/CNc1ncccc1-c1nn[n-]n1 ZINC001602983626 1169223300 /nfs/dbraw/zinc/22/33/00/1169223300.db2.gz KXVSSOBTYSCKFU-VMZHVLLKSA-N -1 3 312.337 0.506 20 30 DCEDHM C[C@@H](C#N)OCCOC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602988340 1169226380 /nfs/dbraw/zinc/22/63/80/1169226380.db2.gz DGYZLWMEPRYRGR-CABZTGNLSA-N -1 3 317.305 0.372 20 30 DCEDHM C[C@@H](C#N)OCCOC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602988340 1169226389 /nfs/dbraw/zinc/22/63/89/1169226389.db2.gz DGYZLWMEPRYRGR-CABZTGNLSA-N -1 3 317.305 0.372 20 30 DCEDHM C[C@H](O)CCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001603696359 1169361769 /nfs/dbraw/zinc/36/17/69/1169361769.db2.gz PYZRRFAHKOMLPE-ZETCQYMHSA-N -1 3 305.367 0.969 20 30 DCEDHM C[C@H](O)CCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001603696359 1169361778 /nfs/dbraw/zinc/36/17/78/1169361778.db2.gz PYZRRFAHKOMLPE-ZETCQYMHSA-N -1 3 305.367 0.969 20 30 DCEDHM COC(=O)CCN(CC#N)Cc1cccc(-c2nnn[n-]2)c1F ZINC001604938245 1169756744 /nfs/dbraw/zinc/75/67/44/1169756744.db2.gz OIPBALSUDCXRFY-UHFFFAOYSA-N -1 3 318.312 0.894 20 30 DCEDHM COC(=O)CCN(CC#N)Cc1cccc(-c2nn[n-]n2)c1F ZINC001604938245 1169756755 /nfs/dbraw/zinc/75/67/55/1169756755.db2.gz OIPBALSUDCXRFY-UHFFFAOYSA-N -1 3 318.312 0.894 20 30 DCEDHM Cc1cc(CN=Nc2nccn(C)c2=O)ccc1-c1nnn[n-]1 ZINC001605652124 1169981666 /nfs/dbraw/zinc/98/16/66/1169981666.db2.gz DKKYLRLDWIGWIZ-UHFFFAOYSA-N -1 3 310.321 0.715 20 30 DCEDHM Cc1cc(CN=Nc2nccn(C)c2=O)ccc1-c1nn[n-]n1 ZINC001605652124 1169981671 /nfs/dbraw/zinc/98/16/71/1169981671.db2.gz DKKYLRLDWIGWIZ-UHFFFAOYSA-N -1 3 310.321 0.715 20 30 DCEDHM Cc1[nH]nc(NC(=O)c2cccc(C#CCO)c2)c1-c1nnn[n-]1 ZINC001606014707 1170051251 /nfs/dbraw/zinc/05/12/51/1170051251.db2.gz OBTDYQRETQOJQY-UHFFFAOYSA-N -1 3 323.316 0.494 20 30 DCEDHM Cn1nc(Cn2cnc(C#N)c2-c2nnn[n-]2)cc1C(F)(F)F ZINC001606271227 1170143358 /nfs/dbraw/zinc/14/33/58/1170143358.db2.gz KMXTZLYEVSZWQM-UHFFFAOYSA-N -1 3 323.242 0.735 20 30 DCEDHM N#C[C@]1(F)CCN(C(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001606344046 1170164245 /nfs/dbraw/zinc/16/42/45/1170164245.db2.gz WLXFRIRIEYWSBI-BXUZGUMPSA-N -1 3 316.296 0.364 20 30 DCEDHM N#C[C@]1(F)CCN(C(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001606344046 1170164250 /nfs/dbraw/zinc/16/42/50/1170164250.db2.gz WLXFRIRIEYWSBI-BXUZGUMPSA-N -1 3 316.296 0.364 20 30 DCEDHM N#CCC1(COC(=O)Cc2ccc(-c3nnn[n-]3)cc2)COC1 ZINC001606345351 1170164725 /nfs/dbraw/zinc/16/47/25/1170164725.db2.gz CMDSRMUGONBGIP-UHFFFAOYSA-N -1 3 313.317 0.883 20 30 DCEDHM N#CCC1(COC(=O)Cc2ccc(-c3nn[n-]n3)cc2)COC1 ZINC001606345351 1170164730 /nfs/dbraw/zinc/16/47/30/1170164730.db2.gz CMDSRMUGONBGIP-UHFFFAOYSA-N -1 3 313.317 0.883 20 30 DCEDHM N#CC[C@@]1(O)CCN(Cc2cc(-c3nnn[n-]3)cnc2Cl)C1 ZINC001606346744 1170165358 /nfs/dbraw/zinc/16/53/58/1170165358.db2.gz YAXWQGFMGMZEBN-CYBMUJFWSA-N -1 3 319.756 0.766 20 30 DCEDHM N#CC[C@@]1(O)CCN(Cc2cc(-c3nn[n-]n3)cnc2Cl)C1 ZINC001606346744 1170165362 /nfs/dbraw/zinc/16/53/62/1170165362.db2.gz YAXWQGFMGMZEBN-CYBMUJFWSA-N -1 3 319.756 0.766 20 30 DCEDHM N#CC[C@@]1(O)CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001606346479 1170165834 /nfs/dbraw/zinc/16/58/34/1170165834.db2.gz SFRPPLHHABKUGW-GFCCVEGCSA-N -1 3 305.729 0.770 20 30 DCEDHM N#CC[C@@]1(O)CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001606346479 1170165837 /nfs/dbraw/zinc/16/58/37/1170165837.db2.gz SFRPPLHHABKUGW-GFCCVEGCSA-N -1 3 305.729 0.770 20 30 DCEDHM N#C[C@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001606345823 1170166050 /nfs/dbraw/zinc/16/60/50/1170166050.db2.gz QCDMZKNMIDLGRL-MFKMUULPSA-N -1 3 311.349 0.629 20 30 DCEDHM N#C[C@H]1CCCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001606345823 1170166053 /nfs/dbraw/zinc/16/60/53/1170166053.db2.gz QCDMZKNMIDLGRL-MFKMUULPSA-N -1 3 311.349 0.629 20 30 DCEDHM N#CC[C@@H](O)CN1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001606351823 1170167326 /nfs/dbraw/zinc/16/73/26/1170167326.db2.gz UFZWIAYLKKGHOX-ZIAGYGMSSA-N -1 3 314.349 0.515 20 30 DCEDHM N#CC[C@@H](O)CN1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001606351823 1170167329 /nfs/dbraw/zinc/16/73/29/1170167329.db2.gz UFZWIAYLKKGHOX-ZIAGYGMSSA-N -1 3 314.349 0.515 20 30 DCEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCC2(O)CC2)nc1N ZINC001606357486 1170168872 /nfs/dbraw/zinc/16/88/72/1170168872.db2.gz PPEYSSNZURVAEA-UHFFFAOYSA-N -1 3 303.351 0.723 20 30 DCEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCC2(O)CC2)nc1N ZINC001606357486 1170168875 /nfs/dbraw/zinc/16/88/75/1170168875.db2.gz PPEYSSNZURVAEA-UHFFFAOYSA-N -1 3 303.351 0.723 20 30 DCEDHM N#Cc1cc(NC(=O)[C@@H]2[C@@H]3CCC(=O)[C@@H]32)ccc1-c1nnn[n-]1 ZINC001606361457 1170170669 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DCEDHM CN(C(=O)COC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)(C)C#N ZINC001590983951 1167066175 /nfs/dbraw/zinc/06/61/75/1167066175.db2.gz XBHCZUYBQOWVRG-UHFFFAOYSA-N -1 3 317.309 0.112 20 30 DCEDHM CN(C(=O)COC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)(C)C#N ZINC001590983951 1167066179 /nfs/dbraw/zinc/06/61/79/1167066179.db2.gz XBHCZUYBQOWVRG-UHFFFAOYSA-N -1 3 317.309 0.112 20 30 DCEDHM CN(CC#N)CCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001591037592 1167088862 /nfs/dbraw/zinc/08/88/62/1167088862.db2.gz QQPXQXSOEZDLIK-UHFFFAOYSA-N -1 3 302.342 0.112 20 30 DCEDHM CN(CC#N)CCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001591037592 1167088868 /nfs/dbraw/zinc/08/88/68/1167088868.db2.gz QQPXQXSOEZDLIK-UHFFFAOYSA-N -1 3 302.342 0.112 20 30 DCEDHM CN(C[C@@H](O)c1cccc(-c2nnn[n-]2)c1)C(=O)C#CC1CC1 ZINC001591051906 1167094030 /nfs/dbraw/zinc/09/40/30/1167094030.db2.gz RKZXFFPRKWKLBR-CQSZACIVSA-N -1 3 311.345 0.772 20 30 DCEDHM CN(C[C@@H](O)c1cccc(-c2nn[n-]n2)c1)C(=O)C#CC1CC1 ZINC001591051906 1167094036 /nfs/dbraw/zinc/09/40/36/1167094036.db2.gz RKZXFFPRKWKLBR-CQSZACIVSA-N -1 3 311.345 0.772 20 30 DCEDHM CN(C[C@H](O)c1cccc(-c2nnn[n-]2)c1)C(=O)C#CC1CC1 ZINC001591051905 1167094350 /nfs/dbraw/zinc/09/43/50/1167094350.db2.gz RKZXFFPRKWKLBR-AWEZNQCLSA-N -1 3 311.345 0.772 20 30 DCEDHM CN(C[C@H](O)c1cccc(-c2nn[n-]n2)c1)C(=O)C#CC1CC1 ZINC001591051905 1167094355 /nfs/dbraw/zinc/09/43/55/1167094355.db2.gz RKZXFFPRKWKLBR-AWEZNQCLSA-N -1 3 311.345 0.772 20 30 DCEDHM COC[C@H](C#N)OC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001591367727 1167238369 /nfs/dbraw/zinc/23/83/69/1167238369.db2.gz KSSDLUJQADQEGV-VIFPVBQESA-N -1 3 303.278 0.571 20 30 DCEDHM COC[C@H](C#N)OC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001591367727 1167238374 /nfs/dbraw/zinc/23/83/74/1167238374.db2.gz KSSDLUJQADQEGV-VIFPVBQESA-N -1 3 303.278 0.571 20 30 DCEDHM COC[C@H](CSc1nc(N)c(C#N)cc1-c1nnn[n-]1)OC ZINC001591378185 1167249956 /nfs/dbraw/zinc/24/99/56/1167249956.db2.gz YVLJLDMZKHPURD-MRVPVSSYSA-N -1 3 321.366 0.469 20 30 DCEDHM COC[C@H](CSc1nc(N)c(C#N)cc1-c1nn[n-]n1)OC ZINC001591378185 1167249962 /nfs/dbraw/zinc/24/99/62/1167249962.db2.gz YVLJLDMZKHPURD-MRVPVSSYSA-N -1 3 321.366 0.469 20 30 DCEDHM COCC(COC)NN=Cc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001591377383 1167250599 /nfs/dbraw/zinc/25/05/99/1167250599.db2.gz LJKNWUNURRHYLS-UHFFFAOYSA-N -1 3 320.353 0.460 20 30 DCEDHM COCC(COC)NN=Cc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001591377383 1167250604 /nfs/dbraw/zinc/25/06/04/1167250604.db2.gz LJKNWUNURRHYLS-UHFFFAOYSA-N -1 3 320.353 0.460 20 30 DCEDHM C[C@H](CNc1ccc(-c2nnn[n-]2)cn1)NC(=O)C#CC1CC1 ZINC001591763564 1167368368 /nfs/dbraw/zinc/36/83/68/1167368368.db2.gz RUTRQYGFMZHXBN-SNVBAGLBSA-N -1 3 311.349 0.592 20 30 DCEDHM C[C@H](CNc1ccc(-c2nn[n-]n2)cn1)NC(=O)C#CC1CC1 ZINC001591763564 1167368373 /nfs/dbraw/zinc/36/83/73/1167368373.db2.gz RUTRQYGFMZHXBN-SNVBAGLBSA-N -1 3 311.349 0.592 20 30 DCEDHM Cc1cc(S(=O)(=O)N2CC(CC#N)C2)ccc1-c1nnn[n-]1 ZINC001592064084 1167448038 /nfs/dbraw/zinc/44/80/38/1167448038.db2.gz RPXTZNYVQDTVOC-UHFFFAOYSA-N -1 3 318.362 0.709 20 30 DCEDHM Cc1cc(S(=O)(=O)N2CC(CC#N)C2)ccc1-c1nn[n-]n1 ZINC001592064084 1167448042 /nfs/dbraw/zinc/44/80/42/1167448042.db2.gz RPXTZNYVQDTVOC-UHFFFAOYSA-N -1 3 318.362 0.709 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CCOC[C@H]1CCCO1 ZINC001592340541 1167495243 /nfs/dbraw/zinc/49/52/43/1167495243.db2.gz HSRNJTAKCANMEM-SNVBAGLBSA-N -1 3 303.326 0.439 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CCOC[C@H]1CCCO1 ZINC001592340541 1167495249 /nfs/dbraw/zinc/49/52/49/1167495249.db2.gz HSRNJTAKCANMEM-SNVBAGLBSA-N -1 3 303.326 0.439 20 30 DCEDHM N#CC1(CNS(=O)(=O)Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592669093 1167591619 /nfs/dbraw/zinc/59/16/19/1167591619.db2.gz FIDSASUTPLLIHC-UHFFFAOYSA-N -1 3 318.362 0.590 20 30 DCEDHM N#CC1(CNS(=O)(=O)Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592669093 1167591625 /nfs/dbraw/zinc/59/16/25/1167591625.db2.gz FIDSASUTPLLIHC-UHFFFAOYSA-N -1 3 318.362 0.590 20 30 DCEDHM N#C[C@@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)O[C@@H]1CCOC1 ZINC001592670301 1167593756 /nfs/dbraw/zinc/59/37/56/1167593756.db2.gz YKGNUJVJIKMAIM-CHWSQXEVSA-N -1 3 313.317 0.881 20 30 DCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)O[C@@H]1CCOC1 ZINC001592670301 1167593759 /nfs/dbraw/zinc/59/37/59/1167593759.db2.gz YKGNUJVJIKMAIM-CHWSQXEVSA-N -1 3 313.317 0.881 20 30 DCEDHM N#C[C@@]1(F)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001592670565 1167594940 /nfs/dbraw/zinc/59/49/40/1167594940.db2.gz GIDCQXQXDUVEIS-LBPRGKRZSA-N -1 3 302.273 0.731 20 30 DCEDHM N#C[C@@]1(F)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001592670565 1167594944 /nfs/dbraw/zinc/59/49/44/1167594944.db2.gz GIDCQXQXDUVEIS-LBPRGKRZSA-N -1 3 302.273 0.731 20 30 DCEDHM N#CC1(NC(=O)COc2ccc(-c3nnn[n-]3)cc2F)CCC1 ZINC001592670747 1167595181 /nfs/dbraw/zinc/59/51/81/1167595181.db2.gz MZSUIDDDOYNIBH-UHFFFAOYSA-N -1 3 316.296 0.947 20 30 DCEDHM N#CC1(NC(=O)COc2ccc(-c3nn[n-]n3)cc2F)CCC1 ZINC001592670747 1167595185 /nfs/dbraw/zinc/59/51/85/1167595185.db2.gz MZSUIDDDOYNIBH-UHFFFAOYSA-N -1 3 316.296 0.947 20 30 DCEDHM N#CCN(C(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccccn1 ZINC001592677172 1167596326 /nfs/dbraw/zinc/59/63/26/1167596326.db2.gz CSNBVRPWTQTCOL-UHFFFAOYSA-N -1 3 306.289 0.827 20 30 DCEDHM N#CCN(C(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccccn1 ZINC001592677172 1167596329 /nfs/dbraw/zinc/59/63/29/1167596329.db2.gz CSNBVRPWTQTCOL-UHFFFAOYSA-N -1 3 306.289 0.827 20 30 DCEDHM N#CCN(CC(=O)NCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC001592677402 1167597006 /nfs/dbraw/zinc/59/70/06/1167597006.db2.gz KYJLGVXBZLNFRF-UHFFFAOYSA-N -1 3 311.349 0.471 20 30 DCEDHM N#CCN(CC(=O)NCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001592677402 1167597009 /nfs/dbraw/zinc/59/70/09/1167597009.db2.gz KYJLGVXBZLNFRF-UHFFFAOYSA-N -1 3 311.349 0.471 20 30 DCEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2cnns2)nc1N ZINC001592687411 1167601390 /nfs/dbraw/zinc/60/13/90/1167601390.db2.gz UUFOSWBNNPQZDO-UHFFFAOYSA-N -1 3 317.363 0.859 20 30 DCEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2cnns2)nc1N ZINC001592687411 1167601397 /nfs/dbraw/zinc/60/13/97/1167601397.db2.gz UUFOSWBNNPQZDO-UHFFFAOYSA-N -1 3 317.363 0.859 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CCN(C(N)=O)C1 ZINC001592699693 1167604154 /nfs/dbraw/zinc/60/41/54/1167604154.db2.gz IPUOTPLWMKCPCL-SECBINFHSA-N -1 3 312.337 0.551 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CCN(C(N)=O)C1 ZINC001592699693 1167604157 /nfs/dbraw/zinc/60/41/57/1167604157.db2.gz IPUOTPLWMKCPCL-SECBINFHSA-N -1 3 312.337 0.551 20 30 DCEDHM N#Cc1ncn(CCOC(=O)Cc2ccccc2)c1-c1nnn[n-]1 ZINC001592709681 1167608908 /nfs/dbraw/zinc/60/89/08/1167608908.db2.gz LXWSAGAUVOLVBG-UHFFFAOYSA-N -1 3 323.316 0.721 20 30 DCEDHM O=C(NCC#CCO)Nc1ccc(-c2nnn[n-]2)cc1C1CC1 ZINC001593004248 1167683473 /nfs/dbraw/zinc/68/34/73/1167683473.db2.gz MOFJWAUASJYJNZ-UHFFFAOYSA-N -1 3 312.333 0.861 20 30 DCEDHM O=C(NCC#CCO)Nc1ccc(-c2nn[n-]n2)cc1C1CC1 ZINC001593004248 1167683477 /nfs/dbraw/zinc/68/34/77/1167683477.db2.gz MOFJWAUASJYJNZ-UHFFFAOYSA-N -1 3 312.333 0.861 20 30 DCEDHM Cc1cccc(S(=O)(=O)NCCN(C)CC(=O)[O-])c1C#N ZINC001600549384 1168198218 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C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1)[C@@H]1CCCO1 ZINC001602688470 1169159860 /nfs/dbraw/zinc/15/98/60/1169159860.db2.gz KCECPPGUGXMZKX-AAEUAGOBSA-N -1 3 312.333 0.481 20 30 DCEDHM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1)[C@@H]1CCCO1 ZINC001602688470 1169159862 /nfs/dbraw/zinc/15/98/62/1169159862.db2.gz KCECPPGUGXMZKX-AAEUAGOBSA-N -1 3 312.333 0.481 20 30 DCEDHM C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC001602689515 1169160849 /nfs/dbraw/zinc/16/08/49/1169160849.db2.gz HNICSUBSJWTXNF-SNVBAGLBSA-N -1 3 312.333 0.594 20 30 DCEDHM C#C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC001602689515 1169160851 /nfs/dbraw/zinc/16/08/51/1169160851.db2.gz HNICSUBSJWTXNF-SNVBAGLBSA-N -1 3 312.333 0.594 20 30 DCEDHM C#CC1(O)CN(C(=O)[C@H](C)Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001602690340 1169160975 /nfs/dbraw/zinc/16/09/75/1169160975.db2.gz BZFAPUOLRGVNJQ-LLVKDONJSA-N -1 3 311.345 0.252 20 30 DCEDHM C#CC1(O)CN(C(=O)[C@H](C)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602690340 1169160979 /nfs/dbraw/zinc/16/09/79/1169160979.db2.gz BZFAPUOLRGVNJQ-LLVKDONJSA-N -1 3 311.345 0.252 20 30 DCEDHM C#C[C@H]1COCCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001602696639 1169162760 /nfs/dbraw/zinc/16/27/60/1169162760.db2.gz LIFZOQUUFFDSJN-VIFPVBQESA-N -1 3 319.271 0.619 20 30 DCEDHM C#C[C@H]1COCCN1C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001602696639 1169162763 /nfs/dbraw/zinc/16/27/63/1169162763.db2.gz LIFZOQUUFFDSJN-VIFPVBQESA-N -1 3 319.271 0.619 20 30 DCEDHM C#CCN(CC1CC1)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001602717838 1169170986 /nfs/dbraw/zinc/17/09/86/1169170986.db2.gz DKAGDBFGEFQGFP-UHFFFAOYSA-N -1 3 317.374 0.901 20 30 DCEDHM C#CCN(CC1CC1)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001602717838 1169170991 /nfs/dbraw/zinc/17/09/91/1169170991.db2.gz DKAGDBFGEFQGFP-UHFFFAOYSA-N -1 3 317.374 0.901 20 30 DCEDHM C#CCN1CCC[C@H](NC(=O)c2ccnc(-c3nnn[n-]3)c2)C1 ZINC001602721796 1169173340 /nfs/dbraw/zinc/17/33/40/1169173340.db2.gz WQNYXHBLWIIOKC-LBPRGKRZSA-N -1 3 311.349 0.089 20 30 DCEDHM 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C[C@@H](CC#N)C(=O)N1CCc2c(sc(N)c2-c2nn[n-]n2)C1 ZINC001574472723 949557781 /nfs/dbraw/zinc/55/77/81/949557781.db2.gz VVJGFPTZRAKDQM-ZETCQYMHSA-N -1 3 317.378 0.945 20 30 DCEDHM C#CCN(C)[C@@H](C)CNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001329486149 949631731 /nfs/dbraw/zinc/63/17/31/949631731.db2.gz JDFACWUZKNYHJW-ZDUSSCGKSA-N -1 3 306.410 0.445 20 30 DCEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F)nc1 ZINC001364844314 950054987 /nfs/dbraw/zinc/05/49/87/950054987.db2.gz XOGAAPAVIBGAGY-MRVPVSSYSA-N -1 3 309.269 0.545 20 30 DCEDHM CC(C)(C#N)CNC(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC001365141809 950598039 /nfs/dbraw/zinc/59/80/39/950598039.db2.gz JNTJLZRMUNEZNT-SNVBAGLBSA-N -1 3 304.354 0.610 20 30 DCEDHM CCN1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)[C@@H](C)C1 ZINC001365298038 950906741 /nfs/dbraw/zinc/90/67/41/950906741.db2.gz KKVCYKFLCZLPGL-NSHDSACASA-N -1 3 300.366 0.833 20 30 DCEDHM C=CCCOCC(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)C(C)(C)C1 ZINC001280681260 951034101 /nfs/dbraw/zinc/03/41/01/951034101.db2.gz QXQMOWCBCIYLMF-GFCCVEGCSA-N -1 3 321.381 0.364 20 30 DCEDHM Cc1noc([C@@H]2OCC[C@@H]2[N-]S(=O)(=O)CC2(C#N)CC2)n1 ZINC001365452352 951144033 /nfs/dbraw/zinc/14/40/33/951144033.db2.gz UJQUPZWKADHKOU-VHSXEESVSA-N -1 3 312.351 0.431 20 30 DCEDHM C=CCNC(=O)[C@@H](C)N1C[C@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001333162367 951939714 /nfs/dbraw/zinc/93/97/14/951939714.db2.gz BCJCPWPNEZIYCD-QZCIIZHISA-N -1 3 324.377 0.263 20 30 DCEDHM C=CC[C@H]([N-]S(=O)(=O)CCn1cccn1)C(=O)OCC ZINC001335530376 952552652 /nfs/dbraw/zinc/55/26/52/952552652.db2.gz TYBGGVVHZDHBAC-NSHDSACASA-N -1 3 301.368 0.310 20 30 DCEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N1CCC=C(C)C1 ZINC001340359080 953164273 /nfs/dbraw/zinc/16/42/73/953164273.db2.gz PUIBETCFFMLRLU-UHFFFAOYSA-N -1 3 300.370 0.919 20 30 DCEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N1CCC=C(C)C1 ZINC001340359080 953164275 /nfs/dbraw/zinc/16/42/75/953164275.db2.gz PUIBETCFFMLRLU-UHFFFAOYSA-N -1 3 300.370 0.919 20 30 DCEDHM C=C(C)Cn1c(CCc2nnn[n-]2)nnc1N1CC[C@H](C)C1 ZINC001342316231 953283664 /nfs/dbraw/zinc/28/36/64/953283664.db2.gz QYPUZGJWMNGYEJ-NSHDSACASA-N -1 3 302.386 0.999 20 30 DCEDHM C=C(C)Cn1c(CCc2nn[n-]n2)nnc1N1CC[C@H](C)C1 ZINC001342316231 953283668 /nfs/dbraw/zinc/28/36/68/953283668.db2.gz QYPUZGJWMNGYEJ-NSHDSACASA-N -1 3 302.386 0.999 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cccn(CC(F)(F)F)c1=O ZINC001342459500 953291161 /nfs/dbraw/zinc/29/11/61/953291161.db2.gz VRJUXYKOBUMNSD-MRVPVSSYSA-N -1 3 319.239 0.131 20 30 DCEDHM C#CCN(CC#C)c1nnc(-c2cnc[n-]c2=O)n1CC1CC1 ZINC001349041437 954580848 /nfs/dbraw/zinc/58/08/48/954580848.db2.gz MMVJPGFZHDJVFD-UHFFFAOYSA-N -1 3 308.345 0.924 20 30 DCEDHM N#CCSCC(=O)N1CC[C@H](NC(=O)c2ccccc2[O-])C1 ZINC001283834972 954646830 /nfs/dbraw/zinc/64/68/30/954646830.db2.gz AEIHUAUVUPOWDB-NSHDSACASA-N -1 3 319.386 0.980 20 30 DCEDHM CC(C)C#CC(=O)N[C@@H](CNC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001283944026 954732210 /nfs/dbraw/zinc/73/22/10/954732210.db2.gz NBYNGSKMXPYGAG-ZDUSSCGKSA-N -1 3 316.361 0.466 20 30 DCEDHM CC(C)C#CC(=O)N[C@H]1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001284174275 954901760 /nfs/dbraw/zinc/90/17/60/954901760.db2.gz ORCPTZLQSBCJFI-RYUDHWBXSA-N -1 3 305.382 0.544 20 30 DCEDHM C=CCOCC(=O)N1CCC[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001284679812 955232471 /nfs/dbraw/zinc/23/24/71/955232471.db2.gz FXIXRSYKQVIVDK-NSHDSACASA-N -1 3 320.349 0.106 20 30 DCEDHM O=C(N[C@H]1CCN([O-])C1=O)c1ccn(Cc2ccccc2)n1 ZINC001351781666 955412175 /nfs/dbraw/zinc/41/21/75/955412175.db2.gz JCWGJKLNNGKWKL-ZDUSSCGKSA-N -1 3 300.318 0.651 20 30 DCEDHM C=CCOCC(=O)NC[C@H](CC)NC(=O)c1cnc[n-]c1=O ZINC001285038101 955427488 /nfs/dbraw/zinc/42/74/88/955427488.db2.gz GBYZOHXBSXIEQG-JTQLQIEISA-N -1 3 308.338 0.009 20 30 DCEDHM C#CCCCC(=O)N1CC[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC001352862357 955800666 /nfs/dbraw/zinc/80/06/66/955800666.db2.gz MZIXVXLBTBJLEP-NSHDSACASA-N -1 3 302.334 0.316 20 30 DCEDHM C#CCCCC(=O)NC[C@H](NC(=O)c1cnc[n-]c1=O)C1CC1 ZINC001353095064 955920686 /nfs/dbraw/zinc/92/06/86/955920686.db2.gz WQPRESBUSJXESU-ZDUSSCGKSA-N -1 3 316.361 0.610 20 30 DCEDHM C=C[C@](C)(O)CC(=O)N1C[C@@H](NC(=O)c2cn[n-]n2)C(C)(C)C1 ZINC001286233936 956235223 /nfs/dbraw/zinc/23/52/23/956235223.db2.gz BREHTNROVSQWAW-ABAIWWIYSA-N -1 3 321.381 0.099 20 30 DCEDHM CC(C)C#CC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cn[n-]n1)C2 ZINC001292152402 956928921 /nfs/dbraw/zinc/92/89/21/956928921.db2.gz HYTZJNMFGKLKCL-WZRBSPASSA-N -1 3 301.350 0.326 20 30 DCEDHM C=CCCC(=O)N1CC(NC(=O)CCc2c(C)nc[n-]c2=O)C1 ZINC001356775446 957017102 /nfs/dbraw/zinc/01/71/02/957017102.db2.gz JSFNIRNNRQIYFE-UHFFFAOYSA-N -1 3 318.377 0.716 20 30 DCEDHM CN(C)C(=O)[C@H]1CCN(Cc2cc(=O)n3[n-]cc(C#N)c3n2)C1 ZINC001414009197 957624430 /nfs/dbraw/zinc/62/44/30/957624430.db2.gz VIIFJQJUUKUYOL-JTQLQIEISA-N -1 3 314.349 0.217 20 30 DCEDHM C=C(C)[C@H](CC(=O)N[C@H]1C[C@@H](NC(=O)c2cn[n-]n2)C1)OCC ZINC001295212408 957660718 /nfs/dbraw/zinc/66/07/18/957660718.db2.gz YNUBUCQKGCQYHY-LOWVWBTDSA-N -1 3 321.381 0.553 20 30 DCEDHM C=CCN1CCC(NC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)CC1 ZINC001588464394 958492101 /nfs/dbraw/zinc/49/21/01/958492101.db2.gz OZADDRMXRCDCFB-ZDUSSCGKSA-N -1 3 323.393 0.076 20 30 DCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001303232972 960046507 /nfs/dbraw/zinc/04/65/07/960046507.db2.gz HRWKSTMEYOZUCY-CYBMUJFWSA-N -1 3 320.397 0.452 20 30 DCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001303232972 960046514 /nfs/dbraw/zinc/04/65/14/960046514.db2.gz HRWKSTMEYOZUCY-CYBMUJFWSA-N -1 3 320.397 0.452 20 30 DCEDHM Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H](C)n2cnc(C#N)n2)n1 ZINC001363004854 960284590 /nfs/dbraw/zinc/28/45/90/960284590.db2.gz GMOBPENYBUNFCF-VIFPVBQESA-N -1 3 315.337 0.566 20 30 DCEDHM CC#CCNCc1cc(=O)[n-]c(CNC(=O)C[C@@H]2CCCO2)n1 ZINC001316716382 960325579 /nfs/dbraw/zinc/32/55/79/960325579.db2.gz QZWDASICCZPHIO-ZDUSSCGKSA-N -1 3 318.377 0.480 20 30 DCEDHM CSc1[n-]c(=O)c(C(=O)N(C)CCN(C)CCO)cc1C#N ZINC001363492251 961270938 /nfs/dbraw/zinc/27/09/38/961270938.db2.gz XAIXWEKJLRSVFI-UHFFFAOYSA-N -1 3 324.406 0.377 20 30 DCEDHM Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c([O-])c1 ZINC001363642537 961609877 /nfs/dbraw/zinc/60/98/77/961609877.db2.gz AJCNXEBWKVCLOY-NHYWBVRUSA-N -1 3 320.370 0.711 20 30 DCEDHM N#Cc1c(N)sc2c1CCN(C(=O)c1cc(=O)[n-]cn1)C2 ZINC001363841283 962000966 /nfs/dbraw/zinc/00/09/66/962000966.db2.gz PGJCBFBWAVLVDQ-UHFFFAOYSA-N -1 3 301.331 0.896 20 30 DCEDHM C=C(Cl)CN(C)C[C@H](O)CN(C)C(=O)c1cnc[n-]c1=O ZINC001379936253 962337298 /nfs/dbraw/zinc/33/72/98/962337298.db2.gz VPFINJGDHYTPGH-JTQLQIEISA-N -1 3 314.773 0.299 20 30 DCEDHM C=C(CCC(=O)[O-])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001573331908 962820147 /nfs/dbraw/zinc/82/01/47/962820147.db2.gz DQAHHWUGKVNEAE-UHFFFAOYSA-N -1 3 323.393 0.174 20 30 DCEDHM C#CCN(C(=O)CC[C@@H]1C[C@H](C(=O)[O-])CO1)C1CCN(C)CC1 ZINC001588459652 983485403 /nfs/dbraw/zinc/48/54/03/983485403.db2.gz GBOSTBYKCCPSIG-DZGCQCFKSA-N -1 3 322.405 0.812 20 30 DCEDHM C#CCN(C(=O)Cn1ccc(C(=O)[O-])n1)C1CCN(C)CC1 ZINC001588460185 983487224 /nfs/dbraw/zinc/48/72/24/983487224.db2.gz UGFWMWINPHRCQK-UHFFFAOYSA-N -1 3 304.350 0.137 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cccc(Nc2cnccn2)c1 ZINC001450157960 1014952799 /nfs/dbraw/zinc/95/27/99/1014952799.db2.gz OQHCDFTXLFABHK-GFCCVEGCSA-N -1 3 313.317 0.940 20 30 DCEDHM C#CCNC(=O)CCN[C@@H](C(=O)[O-])c1ccc(OC)cc1OC ZINC001588479213 983518441 /nfs/dbraw/zinc/51/84/41/983518441.db2.gz DAFYRWHFTWHZBW-OAHLLOKOSA-N -1 3 320.345 0.559 20 30 DCEDHM C=C[C@@H](C(=O)[O-])N1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC001588662741 983791557 /nfs/dbraw/zinc/79/15/57/983791557.db2.gz GQCOSHLNQDQNGX-PWSUYJOCSA-N -1 3 302.396 0.419 20 30 DCEDHM C=CC[C@H](C(=O)[O-])N1CCC(C(=O)OCC)([S@@](C)=O)CC1 ZINC001588729967 983995100 /nfs/dbraw/zinc/99/51/00/983995100.db2.gz WSXXJLMFUQAZKQ-WSVYEEACSA-N -1 3 317.407 0.792 20 30 DCEDHM CC[C@H](CNC(=O)CSCC#N)NC(=O)c1cnc[n-]c1=O ZINC001531083802 1015047254 /nfs/dbraw/zinc/04/72/54/1015047254.db2.gz KLMMSMLFTZRUNP-SECBINFHSA-N -1 3 323.378 0.064 20 30 DCEDHM C[C@@H](C#N)C(=O)N[C@H]1CN(C(=O)c2cnc[n-]c2=O)CC1(C)C ZINC001450451437 1015144798 /nfs/dbraw/zinc/14/47/98/1015144798.db2.gz PFOHUAQGKWXHFX-ONGXEEELSA-N -1 3 317.349 0.309 20 30 DCEDHM CC[C@@H](CNC(=O)[C@@H](C)C#N)NC(=O)c1c(C)nc[n-]c1=O ZINC001531452898 1015173853 /nfs/dbraw/zinc/17/38/53/1015173853.db2.gz TWRXFXMHSWFWMY-WPRPVWTQSA-N -1 3 305.338 0.275 20 30 DCEDHM CC(C)[C@H](CNC(=O)c1ccc(C#N)[nH]1)NC(=O)c1cn[n-]n1 ZINC001388893587 988654098 /nfs/dbraw/zinc/65/40/98/988654098.db2.gz LYHIMDPHFASUHO-NSHDSACASA-N -1 3 315.337 0.189 20 30 DCEDHM CC(C)[C@@H](CNC(=O)[C@H](C)C#N)NC(=O)c1cnc[n-]c1=O ZINC001388954053 988692544 /nfs/dbraw/zinc/69/25/44/988692544.db2.gz SCMVIHFBTNQZMI-MWLCHTKSSA-N -1 3 305.338 0.212 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@H]1CC[C@@H](Cc2ccccc2)O1 ZINC001553140928 1015622853 /nfs/dbraw/zinc/62/28/53/1015622853.db2.gz HXADIUNRRFXFEW-BFHYXJOUSA-N -1 3 304.346 0.883 20 30 DCEDHM C=C(Cl)CN1CC(O)(CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001393320490 992877618 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C#CCN(C)C(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001588349802 1166539781 /nfs/dbraw/zinc/53/97/81/1166539781.db2.gz ZZEOTYMHKJFSIB-UHFFFAOYSA-N -1 3 323.320 0.544 20 30 DCEDHM C=C[C@@H](C)ONC(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1 ZINC001588518389 1166561196 /nfs/dbraw/zinc/56/11/96/1166561196.db2.gz BTVQHUJDYRRVQR-SSDOTTSWSA-N -1 3 305.298 0.898 20 30 DCEDHM C=CCC[C@H]1NC(=O)N(Cc2ccc(-c3nnn[n-]3)cn2)C1=O ZINC001588581865 1166564315 /nfs/dbraw/zinc/56/43/15/1166564315.db2.gz BYPFQOPMRAEJPD-LLVKDONJSA-N -1 3 313.321 0.648 20 30 DCEDHM C=CCC[C@H]1NC(=O)N(Cc2ccc(-c3nn[n-]n3)cn2)C1=O ZINC001588581865 1166564321 /nfs/dbraw/zinc/56/43/21/1166564321.db2.gz BYPFQOPMRAEJPD-LLVKDONJSA-N -1 3 313.321 0.648 20 30 DCEDHM C=CCC[C@H](CO)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588578955 1166565074 /nfs/dbraw/zinc/56/50/74/1166565074.db2.gz HRZAHEVTRQAQRJ-LLVKDONJSA-N -1 3 323.378 0.472 20 30 DCEDHM C=CCC[C@H](CO)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588578955 1166565084 /nfs/dbraw/zinc/56/50/84/1166565084.db2.gz HRZAHEVTRQAQRJ-LLVKDONJSA-N -1 3 323.378 0.472 20 30 DCEDHM C=CCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588656945 1166574077 /nfs/dbraw/zinc/57/40/77/1166574077.db2.gz CORUIJZQFUOCRL-UHFFFAOYSA-N -1 3 302.294 0.116 20 30 DCEDHM C=CCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588656945 1166574084 /nfs/dbraw/zinc/57/40/84/1166574084.db2.gz CORUIJZQFUOCRL-UHFFFAOYSA-N -1 3 302.294 0.116 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001588723412 1166581982 /nfs/dbraw/zinc/58/19/82/1166581982.db2.gz MNXHDWIUQXOCAL-NEPJUHHUSA-N -1 3 300.322 0.469 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001588723412 1166581984 /nfs/dbraw/zinc/58/19/84/1166581984.db2.gz MNXHDWIUQXOCAL-NEPJUHHUSA-N -1 3 300.322 0.469 20 30 DCEDHM C=C[C@H](CO)NC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001588727951 1166582765 /nfs/dbraw/zinc/58/27/65/1166582765.db2.gz LHNBKAAZXWIGCU-SNVBAGLBSA-N -1 3 306.301 0.352 20 30 DCEDHM C=C[C@H](CO)NC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001588727951 1166582768 /nfs/dbraw/zinc/58/27/68/1166582768.db2.gz LHNBKAAZXWIGCU-SNVBAGLBSA-N -1 3 306.301 0.352 20 30 DCEDHM CC(=O)N1CC(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC001588807126 1166593027 /nfs/dbraw/zinc/59/30/27/1166593027.db2.gz YXCNHZZGTZGZRQ-UHFFFAOYSA-N -1 3 311.305 0.155 20 30 DCEDHM CC(=O)N1CC(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC001588807126 1166593032 /nfs/dbraw/zinc/59/30/32/1166593032.db2.gz YXCNHZZGTZGZRQ-UHFFFAOYSA-N -1 3 311.305 0.155 20 30 DCEDHM CC[C@H](O)CNC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590869151 1167044087 /nfs/dbraw/zinc/04/40/87/1167044087.db2.gz XCWAALMKUBIQQT-OLZOCXBDSA-N -1 3 314.349 0.436 20 30 DCEDHM CN(CCC#N)C[C@@H](O)COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591061899 1167098102 /nfs/dbraw/zinc/09/81/02/1167098102.db2.gz ILQFBGYDGKHTSZ-SNVBAGLBSA-N -1 3 320.328 0.591 20 30 DCEDHM CN(CCC#N)C[C@@H](O)COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591061899 1167098105 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NC(=O)CNN=Cc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001592727407 1167618391 /nfs/dbraw/zinc/61/83/91/1167618391.db2.gz GUIAWHKUVXCGQP-UHFFFAOYSA-N -1 3 313.243 0.294 20 30 DCEDHM Cc1nsc(NC(=O)N2CCN(C)C[C@H](C(=O)[O-])C2)c1C#N ZINC001600819758 1168476447 /nfs/dbraw/zinc/47/64/47/1168476447.db2.gz LFRHISIROOHDDY-VIFPVBQESA-N -1 3 323.378 0.803 20 30 DCEDHM N#Cc1ccc(CNC(=O)CN[C@@]2(CC(=O)[O-])CCOC2)cc1 ZINC001601100548 1168585185 /nfs/dbraw/zinc/58/51/85/1168585185.db2.gz PRQQTONNCSDXKD-MRXNPFEDSA-N -1 3 317.345 0.398 20 30 DCEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cn1)[C@@H]1CCCO1 ZINC001602689995 1169159817 /nfs/dbraw/zinc/15/98/17/1169159817.db2.gz XYCIPAYNQMSOJJ-MNOVXSKESA-N -1 3 313.321 0.564 20 30 DCEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cn1)[C@@H]1CCCO1 ZINC001602689995 1169159821 /nfs/dbraw/zinc/15/98/21/1169159821.db2.gz XYCIPAYNQMSOJJ-MNOVXSKESA-N -1 3 313.321 0.564 20 30 DCEDHM C#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1)[C@H]1CCCO1 ZINC001602688471 1169160505 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C#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)[C@@H]1CCCO1 ZINC001588329970 1166525940 /nfs/dbraw/zinc/52/59/40/1166525940.db2.gz RWAFTZGDUCIHMP-JQWIXIFHSA-N -1 3 300.322 0.116 20 30 DCEDHM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)[C@@H]1CCCO1 ZINC001588329970 1166525947 /nfs/dbraw/zinc/52/59/47/1166525947.db2.gz RWAFTZGDUCIHMP-JQWIXIFHSA-N -1 3 300.322 0.116 20 30 DCEDHM C#CC[C@H](COC)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588333971 1166532254 /nfs/dbraw/zinc/53/22/54/1166532254.db2.gz KHAVLSIAQWGRCC-GFCCVEGCSA-N -1 3 315.333 0.400 20 30 DCEDHM C#CC[C@H](COC)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588333971 1166532258 /nfs/dbraw/zinc/53/22/58/1166532258.db2.gz KHAVLSIAQWGRCC-GFCCVEGCSA-N -1 3 315.333 0.400 20 30 DCEDHM C#CCN(C(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001588349316 1166539832 /nfs/dbraw/zinc/53/98/32/1166539832.db2.gz MLFPWEFSBZPRHI-UHFFFAOYSA-N -1 3 306.351 0.294 20 30 DCEDHM C#CCN(C(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001588349316 1166539834 /nfs/dbraw/zinc/53/98/34/1166539834.db2.gz MLFPWEFSBZPRHI-UHFFFAOYSA-N -1 3 306.351 0.294 20 30 DCEDHM C#CCN(CC#N)C[C@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001588350444 1166540855 /nfs/dbraw/zinc/54/08/55/1166540855.db2.gz WRNWRCNLKVWNAW-LBPRGKRZSA-N -1 3 312.333 0.065 20 30 DCEDHM C#CCN(CC#N)C[C@H](O)COc1ccccc1-c1nn[n-]n1 ZINC001588350444 1166540860 /nfs/dbraw/zinc/54/08/60/1166540860.db2.gz WRNWRCNLKVWNAW-LBPRGKRZSA-N -1 3 312.333 0.065 20 30 DCEDHM C#CCN(CC#N)C(=O)c1ccc2c(c1)[nH]cc2-c1nnn[n-]1 ZINC001588350101 1166541452 /nfs/dbraw/zinc/54/14/52/1166541452.db2.gz BXFLWZPKDMVONJ-UHFFFAOYSA-N -1 3 305.301 0.947 20 30 DCEDHM C#CCN(CC#N)C(=O)c1ccc2c(c1)[nH]cc2-c1nn[n-]n1 ZINC001588350101 1166541459 /nfs/dbraw/zinc/54/14/59/1166541459.db2.gz BXFLWZPKDMVONJ-UHFFFAOYSA-N -1 3 305.301 0.947 20 30 DCEDHM C=C[C@@H](O)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588525035 1166560779 /nfs/dbraw/zinc/56/07/79/1166560779.db2.gz APKSEZBGXDFGAZ-OLZOCXBDSA-N -1 3 315.333 0.314 20 30 DCEDHM C=C[C@@H](O)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588525035 1166560785 /nfs/dbraw/zinc/56/07/85/1166560785.db2.gz APKSEZBGXDFGAZ-OLZOCXBDSA-N -1 3 315.333 0.314 20 30 DCEDHM C=CCCOC(=O)[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC001588609340 1166569328 /nfs/dbraw/zinc/56/93/28/1166569328.db2.gz MYQRXQGVWGKIJX-SECBINFHSA-N -1 3 319.321 0.870 20 30 DCEDHM C=CCCOC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC001588609340 1166569336 /nfs/dbraw/zinc/56/93/36/1166569336.db2.gz MYQRXQGVWGKIJX-SECBINFHSA-N -1 3 319.321 0.870 20 30 DCEDHM C=CCN(CCC#N)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588631931 1166574650 /nfs/dbraw/zinc/57/46/50/1166574650.db2.gz FIHWFSZEPLOMHM-UHFFFAOYSA-N -1 3 318.362 0.957 20 30 DCEDHM C=CCN(CCC#N)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588631931 1166574654 /nfs/dbraw/zinc/57/46/54/1166574654.db2.gz FIHWFSZEPLOMHM-UHFFFAOYSA-N -1 3 318.362 0.957 20 30 DCEDHM C=CCOCC(=O)NCCNc1cccc(F)c1-c1nnn[n-]1 ZINC001588675536 1166578779 /nfs/dbraw/zinc/57/87/79/1166578779.db2.gz IXIBUTADGHGFJA-UHFFFAOYSA-N -1 3 320.328 0.737 20 30 DCEDHM C=CCOCC(=O)NCCNc1cccc(F)c1-c1nn[n-]n1 ZINC001588675536 1166578789 /nfs/dbraw/zinc/57/87/89/1166578789.db2.gz IXIBUTADGHGFJA-UHFFFAOYSA-N -1 3 320.328 0.737 20 30 DCEDHM C=CCOC[C@@H](NCc1csc(-c2nnn[n-]2)c1)C(=O)OC ZINC001588682150 1166578863 /nfs/dbraw/zinc/57/88/63/1166578863.db2.gz XKYTYTCYKUNOTQ-SNVBAGLBSA-N -1 3 323.378 0.762 20 30 DCEDHM C=CCn1nnnc1SCc1ccncc1-c1nnn[n-]1 ZINC001588716384 1166581914 /nfs/dbraw/zinc/58/19/14/1166581914.db2.gz DTKJVMKFUJAMKR-UHFFFAOYSA-N -1 3 301.339 0.727 20 30 DCEDHM C=CCn1nnnc1SCc1ccncc1-c1nn[n-]n1 ZINC001588716384 1166581922 /nfs/dbraw/zinc/58/19/22/1166581922.db2.gz DTKJVMKFUJAMKR-UHFFFAOYSA-N -1 3 301.339 0.727 20 30 DCEDHM CC(=O)O[C@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001588887072 1166613897 /nfs/dbraw/zinc/61/38/97/1166613897.db2.gz PNTDLIKFQHZJRZ-LURJTMIESA-N -1 3 305.323 0.717 20 30 DCEDHM CC(=O)O[C@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001588887072 1166613903 /nfs/dbraw/zinc/61/39/03/1166613903.db2.gz PNTDLIKFQHZJRZ-LURJTMIESA-N -1 3 305.323 0.717 20 30 DCEDHM C[C@H](CNc1ncccc1-c1nnn[n-]1)NC(=O)[C@@H](C)C#N ZINC001588931324 1166618894 /nfs/dbraw/zinc/61/88/94/1166618894.db2.gz XFNQGWKZPZSIEE-DTWKUNHWSA-N -1 3 300.326 0.338 20 30 DCEDHM C[C@H](CNc1ncccc1-c1nn[n-]n1)NC(=O)[C@@H](C)C#N ZINC001588931324 1166618897 /nfs/dbraw/zinc/61/88/97/1166618897.db2.gz XFNQGWKZPZSIEE-DTWKUNHWSA-N -1 3 300.326 0.338 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588930607 1166619171 /nfs/dbraw/zinc/61/91/71/1166619171.db2.gz ACVOFNZSXKMZMM-FBIMIBRVSA-N -1 3 312.337 0.480 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588930607 1166619174 /nfs/dbraw/zinc/61/91/74/1166619174.db2.gz ACVOFNZSXKMZMM-FBIMIBRVSA-N -1 3 312.337 0.480 20 30 DCEDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC#N ZINC001589482346 1166661066 /nfs/dbraw/zinc/66/10/66/1166661066.db2.gz CCVUOEOKOOJSJY-LBPRGKRZSA-N -1 3 300.322 0.910 20 30 DCEDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC#N ZINC001589482346 1166661070 /nfs/dbraw/zinc/66/10/70/1166661070.db2.gz CCVUOEOKOOJSJY-LBPRGKRZSA-N -1 3 300.322 0.910 20 30 DCEDHM C[C@H](C#N)C(=O)NC[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001589850013 1166700709 /nfs/dbraw/zinc/70/07/09/1166700709.db2.gz ZNCIBCSOHRQVIR-BDAKNGLRSA-N -1 3 300.326 0.338 20 30 DCEDHM C[C@H](C#N)C(=O)NC[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001589850013 1166700713 /nfs/dbraw/zinc/70/07/13/1166700713.db2.gz ZNCIBCSOHRQVIR-BDAKNGLRSA-N -1 3 300.326 0.338 20 30 DCEDHM C[C@@]1(C#N)CN(Cc2cnc3ccc(-c4nnn[n-]4)cn23)CCO1 ZINC001590057047 1166763413 /nfs/dbraw/zinc/76/34/13/1166763413.db2.gz XREWAQSWRWZEIL-OAHLLOKOSA-N -1 3 324.348 0.629 20 30 DCEDHM C[C@@]1(C#N)CN(Cc2cnc3ccc(-c4nn[n-]n4)cn23)CCO1 ZINC001590057047 1166763418 /nfs/dbraw/zinc/76/34/18/1166763418.db2.gz XREWAQSWRWZEIL-OAHLLOKOSA-N -1 3 324.348 0.629 20 30 DCEDHM C[C@@H]1C(=O)N(N=Cc2cc(-c3nnn[n-]3)cs2)C(=O)N1C ZINC001590164716 1166796925 /nfs/dbraw/zinc/79/69/25/1166796925.db2.gz HKGGGFFKPHFBOI-ZCFIWIBFSA-N -1 3 305.323 0.545 20 30 DCEDHM C[C@@H]1C(=O)N(N=Cc2cc(-c3nn[n-]n3)cs2)C(=O)N1C ZINC001590164716 1166796931 /nfs/dbraw/zinc/79/69/31/1166796931.db2.gz HKGGGFFKPHFBOI-ZCFIWIBFSA-N -1 3 305.323 0.545 20 30 DCEDHM CCN1C[C@@H](C)N(c2cnc(-c3nnn[n-]3)c(C#N)n2)C[C@@H]1C ZINC001590729859 1166985989 /nfs/dbraw/zinc/98/59/89/1166985989.db2.gz OAUQPLDGDWJPOR-VHSXEESVSA-N -1 3 313.369 0.447 20 30 DCEDHM CNC(=O)Cn1cc(Nc2c(C#N)cccc2-c2nnn[n-]2)cn1 ZINC001591209889 1167157560 /nfs/dbraw/zinc/15/75/60/1167157560.db2.gz XXMYOSLRJMZANV-UHFFFAOYSA-N -1 3 323.320 0.424 20 30 DCEDHM CNC(=O)Cn1cc(Nc2c(C#N)cccc2-c2nn[n-]n2)cn1 ZINC001591209889 1167157564 /nfs/dbraw/zinc/15/75/64/1167157564.db2.gz XXMYOSLRJMZANV-UHFFFAOYSA-N -1 3 323.320 0.424 20 30 DCEDHM COC(=O)CN(CC#N)Cc1ccc(-c2nnn[n-]2)c(C)c1 ZINC001591267212 1167188947 /nfs/dbraw/zinc/18/89/47/1167188947.db2.gz VXRWOJMHSCADGV-UHFFFAOYSA-N -1 3 300.322 0.674 20 30 DCEDHM COC(=O)CN(CC#N)Cc1ccc(-c2nn[n-]n2)c(C)c1 ZINC001591267212 1167188951 /nfs/dbraw/zinc/18/89/51/1167188951.db2.gz VXRWOJMHSCADGV-UHFFFAOYSA-N -1 3 300.322 0.674 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NCCC#N ZINC001591504197 1167314152 /nfs/dbraw/zinc/31/41/52/1167314152.db2.gz ICAXOJFZBWUAFL-UHFFFAOYSA-N -1 3 308.323 0.067 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NCCC#N ZINC001591504197 1167314157 /nfs/dbraw/zinc/31/41/57/1167314157.db2.gz ICAXOJFZBWUAFL-UHFFFAOYSA-N -1 3 308.323 0.067 20 30 DCEDHM COc1cc(OCC(=O)NCCC#N)cc(-c2nnn[n-]2)c1 ZINC001591553648 1167326906 /nfs/dbraw/zinc/32/69/06/1167326906.db2.gz IMJQRFSQPRUJMV-UHFFFAOYSA-N -1 3 302.294 0.284 20 30 DCEDHM COc1cc(OCC(=O)NCCC#N)cc(-c2nn[n-]n2)c1 ZINC001591553648 1167326913 /nfs/dbraw/zinc/32/69/13/1167326913.db2.gz IMJQRFSQPRUJMV-UHFFFAOYSA-N -1 3 302.294 0.284 20 30 DCEDHM Cc1cc(C(=O)N[C@@](C)(C#N)CN(C)C)ncc1-c1nnn[n-]1 ZINC001591918517 1167417253 /nfs/dbraw/zinc/41/72/53/1167417253.db2.gz BUKRJGRPBTZSSW-AWEZNQCLSA-N -1 3 314.353 0.144 20 30 DCEDHM Cc1cc(C(=O)N[C@@](C)(C#N)CN(C)C)ncc1-c1nn[n-]n1 ZINC001591918517 1167417258 /nfs/dbraw/zinc/41/72/58/1167417258.db2.gz BUKRJGRPBTZSSW-AWEZNQCLSA-N -1 3 314.353 0.144 20 30 DCEDHM Cc1cc(NC(=O)c2cc(-c3nnn[n-]3)ccn2)nn1CCC#N ZINC001592029646 1167439292 /nfs/dbraw/zinc/43/92/92/1167439292.db2.gz XSFQEPYWGCJWGX-UHFFFAOYSA-N -1 3 323.320 0.933 20 30 DCEDHM Cc1cc(NC(=O)c2cc(-c3nn[n-]n3)ccn2)nn1CCC#N ZINC001592029646 1167439294 /nfs/dbraw/zinc/43/92/94/1167439294.db2.gz XSFQEPYWGCJWGX-UHFFFAOYSA-N -1 3 323.320 0.933 20 30 DCEDHM Cc1cccc(NCCNc2cnc(-c3nnn[n-]3)c(C#N)n2)n1 ZINC001592235147 1167478052 /nfs/dbraw/zinc/47/80/52/1167478052.db2.gz BYYZGYLZRQNHGE-UHFFFAOYSA-N -1 3 322.336 0.756 20 30 DCEDHM Cc1cccc(NCCNc2cnc(-c3nn[n-]n3)c(C#N)n2)n1 ZINC001592235147 1167478059 /nfs/dbraw/zinc/47/80/59/1167478059.db2.gz BYYZGYLZRQNHGE-UHFFFAOYSA-N -1 3 322.336 0.756 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1nc(C(C)(C)C)no1 ZINC001592340309 1167496200 /nfs/dbraw/zinc/49/62/00/1167496200.db2.gz QRHRHXHBXAURDN-UHFFFAOYSA-N -1 3 313.325 0.972 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1nc(C(C)(C)C)no1 ZINC001592340309 1167496203 /nfs/dbraw/zinc/49/62/03/1167496203.db2.gz QRHRHXHBXAURDN-UHFFFAOYSA-N -1 3 313.325 0.972 20 30 DCEDHM N#C[C@]1(F)CCN(C(=O)c2ccc(-c3nnn[n-]3)c(Cl)n2)C1 ZINC001592670770 1167593719 /nfs/dbraw/zinc/59/37/19/1167593719.db2.gz NTHIPAMEUZNEAF-GFCCVEGCSA-N -1 3 321.703 0.993 20 30 DCEDHM N#C[C@@H]1COCCN1C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001592672148 1167594221 /nfs/dbraw/zinc/59/42/21/1167594221.db2.gz YNEDXKFNPMEDOJ-SECBINFHSA-N -1 3 302.269 0.370 20 30 DCEDHM N#C[C@@H]1COCCN1C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001592672148 1167594225 /nfs/dbraw/zinc/59/42/25/1167594225.db2.gz YNEDXKFNPMEDOJ-SECBINFHSA-N -1 3 302.269 0.370 20 30 DCEDHM N#CCCNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001592677928 1167599194 /nfs/dbraw/zinc/59/91/94/1167599194.db2.gz JLURPGWRKFJTMD-UHFFFAOYSA-N -1 3 310.314 0.339 20 30 DCEDHM N#CCCNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001592677928 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319.409 0.239 20 30 DCEDHM C=CCNC(=O)[C@H](C)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)OC)C2)C1 ZINC001333162366 951940322 /nfs/dbraw/zinc/94/03/22/951940322.db2.gz BCJCPWPNEZIYCD-IRDPIATMSA-N -1 3 324.377 0.263 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1CCCCN1Cc1cccnc1 ZINC001333506329 952084276 /nfs/dbraw/zinc/08/42/76/952084276.db2.gz AFOCLVJHMDGJIH-KGLIPLIRSA-N -1 3 318.377 0.542 20 30 DCEDHM CN(CCc1cccc(C#N)c1)C(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC001411517133 952226587 /nfs/dbraw/zinc/22/65/87/952226587.db2.gz UUXFJKPJZFPLTD-UHFFFAOYSA-N -1 3 313.317 0.656 20 30 DCEDHM C[C@@H]1C[C@@H](NC(=O)c2cn[n-]n2)CN1C(=O)C#CC(C)(C)C ZINC001338091590 952962186 /nfs/dbraw/zinc/96/21/86/952962186.db2.gz QLDWJOIXAISGMT-GHMZBOCLSA-N -1 3 303.366 0.573 20 30 DCEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001338868399 953058195 /nfs/dbraw/zinc/05/81/95/953058195.db2.gz WBCUJTPAWQWEER-DTORHVGOSA-N -1 3 322.323 0.464 20 30 DCEDHM C=CCn1c(CCc2nn[n-]n2)nnc1N1C[C@H]2[C@@H](C1)C2(F)F ZINC001338868399 953058197 /nfs/dbraw/zinc/05/81/97/953058197.db2.gz WBCUJTPAWQWEER-DTORHVGOSA-N -1 3 322.323 0.464 20 30 DCEDHM C#CCCN(CCOC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1C ZINC001341286883 953221712 /nfs/dbraw/zinc/22/17/12/953221712.db2.gz AVBJLZYRQHQTIJ-UHFFFAOYSA-N -1 3 316.365 0.762 20 30 DCEDHM CC(C)C#CC(=O)N[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@@H]1O ZINC001343343481 953339420 /nfs/dbraw/zinc/33/94/20/953339420.db2.gz DRWIZPRZQNYXSK-HIFRSBDPSA-N -1 3 316.357 0.353 20 30 DCEDHM O=C(C#CC1CC1)NCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC001283003113 953905427 /nfs/dbraw/zinc/90/54/27/953905427.db2.gz RNOQCKIETYQBIE-UHFFFAOYSA-N -1 3 323.352 0.788 20 30 DCEDHM C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@](C)(C#N)CC(=O)[O-] ZINC001589013744 955409230 /nfs/dbraw/zinc/40/92/30/955409230.db2.gz MADHAFCPKNVULM-SWLSCSKDSA-N -1 3 310.398 0.133 20 30 DCEDHM C=C1CC(C)(C(=O)NC[C@@H](C)NC(=O)c2cnc[n-]c2=O)C1 ZINC001354708156 956483285 /nfs/dbraw/zinc/48/32/85/956483285.db2.gz AWRVBTFEAPGAGL-SNVBAGLBSA-N -1 3 304.350 0.773 20 30 DCEDHM C=CCCC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cnc[n-]c1=O ZINC001356839844 957089902 /nfs/dbraw/zinc/08/99/02/957089902.db2.gz LOAFZBNHTLMIEW-QWRGUYRKSA-N -1 3 302.334 0.574 20 30 DCEDHM Cc1oc(C(=O)[N-]c2nn(C)cc2C#N)cc1S(C)(=O)=O ZINC001361375752 957905419 /nfs/dbraw/zinc/90/54/19/957905419.db2.gz YWOPWKICPVUELL-UHFFFAOYSA-N -1 3 308.319 0.849 20 30 DCEDHM CCN(CCNC(=O)c1cnc[n-]c1=O)C(=O)C#CC(C)C ZINC001296321237 957958332 /nfs/dbraw/zinc/95/83/32/957958332.db2.gz QJEUCLRZVZNOLH-UHFFFAOYSA-N -1 3 304.350 0.420 20 30 DCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1NC(=O)C[C@H]1C ZINC001361782715 958322580 /nfs/dbraw/zinc/32/25/80/958322580.db2.gz VJHACSONPOXTJX-MRVPVSSYSA-N -1 3 302.334 0.860 20 30 DCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@]1(C)CCNC1=O ZINC001361789183 958332060 /nfs/dbraw/zinc/33/20/60/958332060.db2.gz ZNVNTXQCTYYKQG-INIZCTEOSA-N -1 3 316.361 0.603 20 30 DCEDHM Cc1cc(C#N)c(=O)[n-]c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC001361878988 958441895 /nfs/dbraw/zinc/44/18/95/958441895.db2.gz YXRKRAJXVRMSAS-CHWSQXEVSA-N -1 3 316.361 0.560 20 30 DCEDHM Cc1cc(F)cc2c(O)c(C(=O)N[C@@H]3CCN([O-])C3=O)cnc12 ZINC001298427370 958597567 /nfs/dbraw/zinc/59/75/67/958597567.db2.gz UWTHTDVPKYFSQY-LLVKDONJSA-N -1 3 319.292 0.696 20 30 DCEDHM O=C(Nc1cccc2c1NC(=O)CO2)N[C@@H]1CCCN([O-])C1=O ZINC001311149926 960241154 /nfs/dbraw/zinc/24/11/54/960241154.db2.gz ZQYXNCNBGVIMRA-SECBINFHSA-N -1 3 320.305 0.519 20 30 DCEDHM CN(C)CCN(CC(=O)[O-])C(=O)Cc1cccc(OCC#N)c1 ZINC001573989262 961801973 /nfs/dbraw/zinc/80/19/73/961801973.db2.gz CGOTYUHUGVSBRG-UHFFFAOYSA-N -1 3 319.361 0.606 20 30 DCEDHM C=CCC[C@@H](C)N1CCO[C@@](C)(CNC(=O)CNC(=O)[O-])C1 ZINC001573352935 962994363 /nfs/dbraw/zinc/99/43/63/962994363.db2.gz NDCLKAQHAZOXLX-DOMZBBRYSA-N -1 3 313.398 0.816 20 30 DCEDHM C=CCCCN1CC(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)C1 ZINC001573366699 963061567 /nfs/dbraw/zinc/06/15/67/963061567.db2.gz ONPQTBRQMBVGKC-GJZGRUSLSA-N -1 3 321.421 0.502 20 30 DCEDHM CCCC[C@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)[C@H](C)C#N ZINC001381739155 966657256 /nfs/dbraw/zinc/65/72/56/966657256.db2.gz CYPYTAKLTWAENU-GHMZBOCLSA-N -1 3 308.386 0.033 20 30 DCEDHM C=C[C@](C)(CC)C(=O)N(C)CCNC(=O)c1cnc[n-]c1=O ZINC001528313572 1014255470 /nfs/dbraw/zinc/25/54/70/1014255470.db2.gz AZUHGWXIDOLXKP-OAHLLOKOSA-N -1 3 306.366 0.973 20 30 DCEDHM CCN(CCC(=O)[O-])CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC001596314042 983741093 /nfs/dbraw/zinc/74/10/93/983741093.db2.gz BLRZXGOKUSLYRX-AWEZNQCLSA-N -1 3 324.425 0.475 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)N(CCNC(=O)[C@H](C)C#N)C1CC1 ZINC001388677809 988504077 /nfs/dbraw/zinc/50/40/77/988504077.db2.gz DPZHPYLWKXWDCA-SECBINFHSA-N -1 3 317.349 0.371 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(F)ccc1-n1cccn1 ZINC001468372659 1016248614 /nfs/dbraw/zinc/24/86/14/1016248614.db2.gz HMZMNMBDKBZPQH-LLVKDONJSA-N -1 3 304.281 0.731 20 30 DCEDHM O=C(C#CC1CC1)NC[C@@H]1CCCC[C@@H]1NC(=O)c1cn[n-]n1 ZINC001505472462 1016265165 /nfs/dbraw/zinc/26/51/65/1016265165.db2.gz YTMQRYFUSZJEFR-STQMWFEESA-N -1 3 315.377 0.623 20 30 DCEDHM N#Cc1ccc(C(=O)NCc2nnc([C@@H]3CCOC3)[nH]2)cc1[O-] ZINC001420987899 1003207196 /nfs/dbraw/zinc/20/71/96/1003207196.db2.gz OGCLXWSOUUUUPZ-LLVKDONJSA-N -1 3 313.317 0.816 20 30 DCEDHM C[C@H](C#N)C(=O)N(C)C[C@@H]1CCCN1C(=O)c1cnc[n-]c1=O ZINC001426294049 1003696342 /nfs/dbraw/zinc/69/63/42/1003696342.db2.gz FFLGVZJDWXJGKB-MNOVXSKESA-N -1 3 317.349 0.405 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)NC[C@H](C)N(C)C(=O)[C@H](C)C#N ZINC001426770940 1004023621 /nfs/dbraw/zinc/02/36/21/1004023621.db2.gz FHPHEGOOVHXNDI-BDAKNGLRSA-N -1 3 305.338 0.227 20 30 DCEDHM COC(=O)[C@@H](C)CN(C)Cc1cc(=O)n2[n-]cc(C#N)c2n1 ZINC001473110488 1016913139 /nfs/dbraw/zinc/91/31/39/1016913139.db2.gz ZLKKRRXMJGHPAD-VIFPVBQESA-N -1 3 303.322 0.547 20 30 DCEDHM C#CCN(CC)c1nnc(-c2cc(=O)[n-]c(C)n2)n1CCOC ZINC001514778034 1017039575 /nfs/dbraw/zinc/03/95/75/1017039575.db2.gz YEOJGGDMMHPUQP-UHFFFAOYSA-N -1 3 316.365 0.855 20 30 DCEDHM N#Cc1ccc([C@H](O)C(=O)NCCCc2c[n-][nH]c2=O)cc1 ZINC001454188539 1008986290 /nfs/dbraw/zinc/98/62/90/1008986290.db2.gz WWZLMVOQKCEZPK-OLZOCXBDSA-N -1 3 300.318 0.220 20 30 DCEDHM CN(CCC#N)S(=O)(=O)NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001434625184 1010145273 /nfs/dbraw/zinc/14/52/73/1010145273.db2.gz UYPJORMTRBSRLS-UHFFFAOYSA-N -1 3 311.367 0.239 20 30 DCEDHM C#CCOCCC(=O)NC1CCN(c2nc(C)cc(=O)[n-]2)CC1 ZINC001520737598 1017305627 /nfs/dbraw/zinc/30/56/27/1017305627.db2.gz GYRWUGZCHYWAHN-UHFFFAOYSA-N -1 3 318.377 0.616 20 30 DCEDHM Cc1nc[n-]c(=O)c1CCC(=O)N(C)CCNC(=O)[C@H](C)C#N ZINC001431478279 1011296360 /nfs/dbraw/zinc/29/63/60/1011296360.db2.gz GGZNXQGRKBDMMM-SNVBAGLBSA-N -1 3 319.365 0.158 20 30 DCEDHM COC1CCN(CCNC(=O)c2[n-]c(=O)c(C#N)cc2C)CC1 ZINC001445082911 1011393212 /nfs/dbraw/zinc/39/32/12/1011393212.db2.gz SCBMUNSHRRMQRG-UHFFFAOYSA-N -1 3 318.377 0.808 20 30 DCEDHM O=C(CC#Cc1ccccc1)NCC1(NC(=O)c2cn[n-]n2)CC1 ZINC001535508705 1011914379 /nfs/dbraw/zinc/91/43/79/1011914379.db2.gz RDMKBRJHNWWTLJ-UHFFFAOYSA-N -1 3 323.356 0.625 20 30 DCEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001556399714 1012202759 /nfs/dbraw/zinc/20/27/59/1012202759.db2.gz WADAAPLEHZBKGF-MFKMUULPSA-N -1 3 314.349 0.973 20 30 DCEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001556399714 1012202771 /nfs/dbraw/zinc/20/27/71/1012202771.db2.gz WADAAPLEHZBKGF-MFKMUULPSA-N -1 3 314.349 0.973 20 30 DCEDHM C#CCCCC(=O)NCc1nc(CNC(=O)C2CC2)cc(=O)[n-]1 ZINC001519542063 1017215019 /nfs/dbraw/zinc/21/50/19/1017215019.db2.gz YPXFWODTWQJLKY-UHFFFAOYSA-N -1 3 316.361 0.628 20 30 DCEDHM C[C@H](C#N)C(=O)NCc1nc(CNC(=O)C2CCC2)cc(=O)[n-]1 ZINC001519549185 1017215805 /nfs/dbraw/zinc/21/58/05/1017215805.db2.gz NZXYZEAPMIFRJE-SECBINFHSA-N -1 3 317.349 0.374 20 30 DCEDHM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C#N)CC2)c(C)o1 ZINC000408398537 530024546 /nfs/dbraw/zinc/02/45/46/530024546.db2.gz YWPFRSJHFKLZAY-UHFFFAOYSA-N -1 3 311.363 0.872 20 30 DCEDHM COC[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)OC ZINC000272724522 210129846 /nfs/dbraw/zinc/12/98/46/210129846.db2.gz YGAGGHPFSJWKBL-LLVKDONJSA-N -1 3 302.327 0.637 20 30 DCEDHM CC(C)C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000178498225 198877855 /nfs/dbraw/zinc/87/78/55/198877855.db2.gz JSQGLAKQACLHQT-UHFFFAOYSA-N -1 3 313.354 0.748 20 30 DCEDHM COc1ccc2c(c1)[n-]cc(C(=O)N1CC(O)(CC#N)C1)c2=O ZINC000356545226 239010382 /nfs/dbraw/zinc/01/03/82/239010382.db2.gz GRMSQFFRZOWZMM-UHFFFAOYSA-N -1 3 313.313 0.637 20 30 DCEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000367225437 239145200 /nfs/dbraw/zinc/14/52/00/239145200.db2.gz SQTGHMYBWVSNAR-CYBMUJFWSA-N -1 3 312.395 0.816 20 30 DCEDHM CC(=O)N1CC([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C1 ZINC000569355386 291475838 /nfs/dbraw/zinc/47/58/38/291475838.db2.gz KKVRPYNSXWTVFY-UHFFFAOYSA-N -1 3 313.766 0.721 20 30 DCEDHM N#Cc1ccc(N2CC[C@@H](C(=O)[N-]OCC(N)=O)C2)c(F)c1 ZINC000288301976 220070958 /nfs/dbraw/zinc/07/09/58/220070958.db2.gz ICJSJNQLLHEYOE-SNVBAGLBSA-N -1 3 306.297 0.057 20 30 DCEDHM 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/nfs/dbraw/zinc/87/09/94/664870994.db2.gz SCYMZMIYPZXLQK-NSIKDUERSA-N -1 3 315.395 0.335 20 30 DCEDHM C[C@@H](C#N)C(=O)N1CCCC[C@H](NC(=O)c2cnc[n-]c2=O)C1 ZINC000943326219 666271552 /nfs/dbraw/zinc/27/15/52/666271552.db2.gz NRKUQSLTCUJWLO-QWRGUYRKSA-N -1 3 317.349 0.453 20 30 DCEDHM COc1cc(C=NNCCS(C)(=O)=O)c([N+](=O)[O-])cc1[O-] ZINC000733204440 666347131 /nfs/dbraw/zinc/34/71/31/666347131.db2.gz SGOHFDOWEWAQEG-UHFFFAOYSA-N -1 3 317.323 0.277 20 30 DCEDHM O=C(C#CC1CC1)N1CCC(NC(=O)c2cnc[n-]c2=O)CC1 ZINC000946696112 666597970 /nfs/dbraw/zinc/59/79/70/666597970.db2.gz BRNUCNYGECWIAT-UHFFFAOYSA-N -1 3 314.345 0.316 20 30 DCEDHM Cc1ncc(CO)c(C=NN[C@@H]2CCCS(=O)(=O)C2)c1[O-] ZINC000863128448 667112580 /nfs/dbraw/zinc/11/25/80/667112580.db2.gz OAGZRYFHRCUNRO-LLVKDONJSA-N -1 3 313.379 0.089 20 30 DCEDHM C=CCN1CCC([N-]S(=O)(=O)N=S(=O)(CC)CC)CC1 ZINC000866744331 667393326 /nfs/dbraw/zinc/39/33/26/667393326.db2.gz ILGYDHQYUMTAHM-UHFFFAOYSA-N -1 3 323.484 0.979 20 30 DCEDHM C=C(Cl)C[C@H]([N-]S(=O)(=O)N(C)CCC#N)C(=O)OCC ZINC000867591698 667472688 /nfs/dbraw/zinc/47/26/88/667472688.db2.gz BIDASLIZHZIIES-JTQLQIEISA-N -1 3 323.802 0.741 20 30 DCEDHM C=C[C@@](C)(O)CC(=O)NCCN(C)C(=O)c1ccccc1[O-] ZINC001745095347 1157757534 /nfs/dbraw/zinc/75/75/34/1157757534.db2.gz JRZFUJGFFVMPAI-MRXNPFEDSA-N -1 3 306.362 0.908 20 30 DCEDHM C[C@H](C(=O)N[C@@H]1CCCN([O-])C1=O)n1ccc(C(F)(F)F)n1 ZINC000868563306 667581841 /nfs/dbraw/zinc/58/18/41/667581841.db2.gz QITSNKUUFPLGJI-HTQZYQBOSA-N -1 3 320.271 0.959 20 30 DCEDHM CCOCn1nc(C)c(CC(=O)N[C@@H]2CCCN([O-])C2=O)c1C ZINC000868562945 667581903 /nfs/dbraw/zinc/58/19/03/667581903.db2.gz MSVDOWOFBSRXGF-CYBMUJFWSA-N -1 3 324.381 0.533 20 30 DCEDHM C#CC[C@H]([N-]S(=O)(=O)c1cc(C)cnc1Cl)C(=O)OC ZINC000885232028 667655279 /nfs/dbraw/zinc/65/52/79/667655279.db2.gz RIXCCCGCMIBWKN-VIFPVBQESA-N -1 3 316.766 0.887 20 30 DCEDHM C=C[C@@](C)(CC)C(=O)N1CC([C@@H](C)NC(=O)c2cn[n-]n2)C1 ZINC001006387415 667686596 /nfs/dbraw/zinc/68/65/96/667686596.db2.gz RIVBQQRJVSJPOD-BMIGLBTASA-N -1 3 305.382 0.984 20 30 DCEDHM C=CCN1CC[C@H](N2CCN(c3nc(C)cc(=O)[n-]3)CC2)C1=O ZINC000886657867 667787666 /nfs/dbraw/zinc/78/76/66/667787666.db2.gz GTEYPSHGRDOCAC-ZDUSSCGKSA-N -1 3 317.393 0.400 20 30 DCEDHM C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000745654685 667851384 /nfs/dbraw/zinc/85/13/84/667851384.db2.gz WBHDPXFPRAPYRN-SECBINFHSA-N -1 3 320.301 0.865 20 30 DCEDHM Cc1ncc(CO)c(/C=N\CC2CCS(=O)(=O)CC2)c1[O-] ZINC000755377128 668059922 /nfs/dbraw/zinc/05/99/22/668059922.db2.gz XMYQWXBZDKFVHT-NVNXTCNLSA-N -1 3 312.391 0.832 20 30 DCEDHM CN(C)c1nc([C@@H]2CCN(C(=O)C#CC3CC3)C2)cc(=O)[n-]1 ZINC000828909900 668140141 /nfs/dbraw/zinc/14/01/41/668140141.db2.gz KEAFDYUZYQFUOU-GFCCVEGCSA-N -1 3 300.362 0.978 20 30 DCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)C(=O)N(C)C ZINC000007074269 668153777 /nfs/dbraw/zinc/15/37/77/668153777.db2.gz YOZSODVEYAIXEL-LLVKDONJSA-N -1 3 319.361 0.816 20 30 DCEDHM O=C1N=C(NN=Cc2cc(Br)ccc2[O-])NC1=O ZINC000765590708 668500496 /nfs/dbraw/zinc/50/04/96/668500496.db2.gz APUJDZCIYYCAHM-UHFFFAOYSA-N -1 3 311.095 0.091 20 30 DCEDHM Cc1ncc(CO)c(/C=N\C[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c1[O-] ZINC000774540743 668837426 /nfs/dbraw/zinc/83/74/26/668837426.db2.gz GAOLXMHCVNHFPU-JZXMDFRNSA-N -1 3 321.377 0.643 20 30 DCEDHM Cc1ncc(CO)c(/C=N\C[C@H]2COC3(CCOCC3)O2)c1[O-] ZINC000776725622 668880414 /nfs/dbraw/zinc/88/04/14/668880414.db2.gz NTCNARZQQPJTFA-KCXFFNSDSA-N -1 3 322.361 0.929 20 30 DCEDHM N#Cc1ccsc1N1CC[C@H](OC(=O)c2cnn[n-]2)C1=O ZINC000805605392 668898165 /nfs/dbraw/zinc/89/81/65/668898165.db2.gz LHGTYWQMSGGUKD-VIFPVBQESA-N -1 3 303.303 0.700 20 30 DCEDHM N#Cc1ccsc1N1CC[C@H](OC(=O)c2c[n-]nn2)C1=O ZINC000805605392 668898166 /nfs/dbraw/zinc/89/81/66/668898166.db2.gz LHGTYWQMSGGUKD-VIFPVBQESA-N -1 3 303.303 0.700 20 30 DCEDHM C#C[C@H]([N-]S(=O)(=O)[C@@H](CCC)C(=O)OCC)[C@H]1CCCO1 ZINC000882083120 669454558 /nfs/dbraw/zinc/45/45/58/669454558.db2.gz XERHVLHMKFLKGP-XQQFMLRXSA-N -1 3 317.407 0.818 20 30 DCEDHM C#CC[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1F ZINC000882341828 669504815 /nfs/dbraw/zinc/50/48/15/669504815.db2.gz PIAHGZVLSDUQBQ-JTQLQIEISA-N -1 3 315.322 0.275 20 30 DCEDHM CC[C@H](C(=O)[N-]S(=O)(=O)CC1(C#N)CC1)N(CC)CC ZINC000793212681 669708000 /nfs/dbraw/zinc/70/80/00/669708000.db2.gz RPOUIHFCNDHSRG-LLVKDONJSA-N -1 3 301.412 0.857 20 30 DCEDHM C#CCC[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000798485225 670006460 /nfs/dbraw/zinc/00/64/60/670006460.db2.gz AHJLSTLUJZKXRF-SNVBAGLBSA-N -1 3 316.310 0.787 20 30 DCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(-n2ccnn2)ccc1F ZINC000854649278 670605169 /nfs/dbraw/zinc/60/51/69/670605169.db2.gz UFIYJTRQRZSCLN-GFCCVEGCSA-N -1 3 319.296 0.516 20 30 DCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccc2c1OCCCO2 ZINC000848130901 670637202 /nfs/dbraw/zinc/63/72/02/670637202.db2.gz UYZCEYRPIZDEEW-LLVKDONJSA-N -1 3 306.318 0.958 20 30 DCEDHM COC(=O)Cc1occ(C)c1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000848131585 670638180 /nfs/dbraw/zinc/63/81/80/670638180.db2.gz AGSKCQHDTNBVAJ-SECBINFHSA-N -1 3 310.306 0.414 20 30 DCEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000848131921 670638582 /nfs/dbraw/zinc/63/85/82/670638582.db2.gz MDNISNMEHKBDLP-QWRGUYRKSA-N -1 3 309.278 0.125 20 30 DCEDHM COc1ccc(/C=C\C(=O)N[C@@H]2CCCN([O-])C2=O)cc1O ZINC000848134923 670640083 /nfs/dbraw/zinc/64/00/83/670640083.db2.gz GCRVOAFBEVMUHC-JPVGGKMYSA-N -1 3 306.318 0.910 20 30 DCEDHM O=C(Cc1ccn(-c2ccccc2)n1)N[C@H]1CCCN([O-])C1=O ZINC000848135834 670641142 /nfs/dbraw/zinc/64/11/42/670641142.db2.gz IFUFPOFPCLHHNS-AWEZNQCLSA-N -1 3 314.345 0.911 20 30 DCEDHM O=C(Cc1cc(F)cc2c1OCOC2)N[C@@H]1CCCN([O-])C1=O ZINC000848138326 670641919 /nfs/dbraw/zinc/64/19/19/670641919.db2.gz OSXPQJUXATWHDZ-GFCCVEGCSA-N -1 3 324.308 0.731 20 30 DCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1N1CCOCC1 ZINC000848137775 670642277 /nfs/dbraw/zinc/64/22/77/670642277.db2.gz FMDIUIHNZVTMML-CYBMUJFWSA-N -1 3 319.361 0.633 20 30 DCEDHM O=C(C[C@H]1OC(=O)c2ccccc21)N[C@H]1CCCN([O-])C1=O ZINC000848139009 670643442 /nfs/dbraw/zinc/64/34/42/670643442.db2.gz WJWKZRZYDKGTIB-NWDGAFQWSA-N -1 3 304.302 0.785 20 30 DCEDHM C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c[n-]c(C(=O)OC)c1 ZINC000814529500 670693753 /nfs/dbraw/zinc/69/37/53/670693753.db2.gz GYJULQHEPMYECW-MRVPVSSYSA-N -1 3 323.305 0.358 20 30 DCEDHM C#CC(=O)NCc1nc(CNC(=O)OC(C)(C)C)cc(=O)[n-]1 ZINC000856335001 670805068 /nfs/dbraw/zinc/80/50/68/670805068.db2.gz QJAUGWFFNNAQEC-UHFFFAOYSA-N -1 3 306.322 0.456 20 30 DCEDHM Cc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)c(Br)n1 ZINC000816690699 670839189 /nfs/dbraw/zinc/83/91/89/670839189.db2.gz AKPSVLZUNWSQDG-QMMMGPOBSA-N -1 3 314.139 0.872 20 30 DCEDHM O=C(Cc1ccc(-n2cccn2)cc1)N[C@@H]1CCN([O-])C1=O ZINC000816690565 670840135 /nfs/dbraw/zinc/84/01/35/670840135.db2.gz VVWLIFZMYCEPLK-CYBMUJFWSA-N -1 3 300.318 0.521 20 30 DCEDHM O=C(Cc1cc2ccccc2[nH]c1=O)N[C@@H]1CCN([O-])C1=O ZINC000816690788 670841241 /nfs/dbraw/zinc/84/12/41/670841241.db2.gz CMUSNTJXODSTDG-GFCCVEGCSA-N -1 3 301.302 0.589 20 30 DCEDHM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCN([O-])C1=O ZINC000816691421 670841446 /nfs/dbraw/zinc/84/14/46/670841446.db2.gz QYWAPMAWKLRHLB-RDDDGLTNSA-N -1 3 300.261 0.838 20 30 DCEDHM Cc1cnn(-c2ccc(C(=O)N[C@H]3CCN([O-])C3=O)cc2)c1 ZINC000816693097 670841995 /nfs/dbraw/zinc/84/19/95/670841995.db2.gz BUEMKOQOSSKVIT-ZDUSSCGKSA-N -1 3 300.318 0.901 20 30 DCEDHM C[C@H]1Sc2ccc(C(=O)N[C@H]3CCN([O-])C3=O)cc2NC1=O ZINC000816692520 670842497 /nfs/dbraw/zinc/84/24/97/670842497.db2.gz PVHCPKBIRXXBPG-APPZFPTMSA-N -1 3 321.358 0.839 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cnc(-c2ncccn2)s1 ZINC000816692884 670843006 /nfs/dbraw/zinc/84/30/06/670843006.db2.gz XXQLQVOVISGUGJ-SSDOTTSWSA-N -1 3 305.319 0.320 20 30 DCEDHM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN([O-])C2=O)C1 ZINC000816696068 670845822 /nfs/dbraw/zinc/84/58/22/670845822.db2.gz QRKIURGKMDFFQK-QJPTWQEYSA-N -1 3 311.382 0.377 20 30 DCEDHM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N[C@H]2CCN([O-])C2=O)C1 ZINC000816696070 670846035 /nfs/dbraw/zinc/84/60/35/670846035.db2.gz QRKIURGKMDFFQK-SRVKXCTJSA-N -1 3 311.382 0.377 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H](c1ccccc1)n1cccn1 ZINC000816696214 670846510 /nfs/dbraw/zinc/84/65/10/670846510.db2.gz UKFYTEGEYUJILM-CHWSQXEVSA-N -1 3 300.318 0.579 20 30 DCEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cnc(-c2ncccn2)s1 ZINC000816754469 670858282 /nfs/dbraw/zinc/85/82/82/670858282.db2.gz FSWCRDYGAGRSSD-QMMMGPOBSA-N -1 3 319.346 0.710 20 30 DCEDHM Cc1nn(C)c2ncc(C(=O)N[C@H]3CCCN([O-])C3=O)cc12 ZINC000816755235 670859878 /nfs/dbraw/zinc/85/98/78/670859878.db2.gz WCGBXFOHDFQGHL-NSHDSACASA-N -1 3 303.322 0.387 20 30 DCEDHM CCCc1n[nH]c(C(=O)N[C@H]2CCCN([O-])C2=O)c1[N+](=O)[O-] ZINC000816755865 670859963 /nfs/dbraw/zinc/85/99/63/670859963.db2.gz KWEVUGFKPYETKI-QMMMGPOBSA-N -1 3 311.298 0.380 20 30 DCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)C1CCN(c2cnccn2)CC1 ZINC000816757253 670861494 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HCKDFQFQMRXKDB-NSHDSACASA-N -1 3 314.349 0.728 20 30 DCEDHM C#CC[C@@H](CCOC)NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588330891 1166526372 /nfs/dbraw/zinc/52/63/72/1166526372.db2.gz HCKDFQFQMRXKDB-NSHDSACASA-N -1 3 314.349 0.728 20 30 DCEDHM C#C[C@H]1CCCCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588331455 1166528429 /nfs/dbraw/zinc/52/84/29/1166528429.db2.gz BAQLCVOTUHZKGY-HNNXBMFYSA-N -1 3 324.388 0.971 20 30 DCEDHM C#CC[C@H](NCc1ccc(-c2nnn[n-]2)c(F)c1)C(=O)OC ZINC001588334360 1166531441 /nfs/dbraw/zinc/53/14/41/1166531441.db2.gz UVKYIXFPVXYNDY-LBPRGKRZSA-N -1 3 303.297 0.660 20 30 DCEDHM C#CC[C@H](NCc1ccc(-c2nn[n-]n2)c(F)c1)C(=O)OC ZINC001588334360 1166531446 /nfs/dbraw/zinc/53/14/46/1166531446.db2.gz UVKYIXFPVXYNDY-LBPRGKRZSA-N -1 3 303.297 0.660 20 30 DCEDHM C#CCN(CC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001588350215 1166541864 /nfs/dbraw/zinc/54/18/64/1166541864.db2.gz JAYGHPSTGRIROC-UHFFFAOYSA-N -1 3 316.346 0.323 20 30 DCEDHM C#CCN(CC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001588350215 1166541870 /nfs/dbraw/zinc/54/18/70/1166541870.db2.gz JAYGHPSTGRIROC-UHFFFAOYSA-N -1 3 316.346 0.323 20 30 DCEDHM C#CCO[C@@H](C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC001588360181 1166547482 /nfs/dbraw/zinc/54/74/82/1166547482.db2.gz KAZXNWZBNIGJMV-JTQLQIEISA-N -1 3 316.317 0.957 20 30 DCEDHM C#CCO[C@@H](C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC001588360181 1166547487 /nfs/dbraw/zinc/54/74/87/1166547487.db2.gz KAZXNWZBNIGJMV-JTQLQIEISA-N -1 3 316.317 0.957 20 30 DCEDHM C#CCOCCN1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001588363460 1166547724 /nfs/dbraw/zinc/54/77/24/1166547724.db2.gz HIKVXIKQPCHOGV-UHFFFAOYSA-N -1 3 318.406 0.700 20 30 DCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588406529 1166551944 /nfs/dbraw/zinc/55/19/44/1166551944.db2.gz VUBRMWRVWDVYRJ-NSHDSACASA-N -1 3 315.337 0.671 20 30 DCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588406529 1166551951 /nfs/dbraw/zinc/55/19/51/1166551951.db2.gz VUBRMWRVWDVYRJ-NSHDSACASA-N -1 3 315.337 0.671 20 30 DCEDHM C=C[C@H](O)C(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588525603 1166559759 /nfs/dbraw/zinc/55/97/59/1166559759.db2.gz JEJNMRIHXOCFNV-LBPRGKRZSA-N -1 3 301.306 0.003 20 30 DCEDHM C=CC[C@@H](CO)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588545458 1166559804 /nfs/dbraw/zinc/55/98/04/1166559804.db2.gz HCXWETCQATXTRJ-NSHDSACASA-N -1 3 303.322 0.299 20 30 DCEDHM C=CC[C@@H](CO)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588545458 1166559811 /nfs/dbraw/zinc/55/98/11/1166559811.db2.gz HCXWETCQATXTRJ-NSHDSACASA-N -1 3 303.322 0.299 20 30 DCEDHM C=CC[C@H](CO)CNC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588544411 1166561049 /nfs/dbraw/zinc/56/10/49/1166561049.db2.gz FRFFQMLFKPFORM-VIFPVBQESA-N -1 3 303.326 0.568 20 30 DCEDHM C=CC[C@H](CO)CNC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588544411 1166561052 /nfs/dbraw/zinc/56/10/52/1166561052.db2.gz FRFFQMLFKPFORM-VIFPVBQESA-N -1 3 303.326 0.568 20 30 DCEDHM C=CCC1(O)CN(C(=O)c2cc(C)c(-c3nnn[n-]3)cn2)C1 ZINC001588558938 1166562150 /nfs/dbraw/zinc/56/21/50/1166562150.db2.gz FUUNRLGGRQCYBO-UHFFFAOYSA-N -1 3 300.322 0.333 20 30 DCEDHM C=CCC1(O)CN(C(=O)c2cc(C)c(-c3nn[n-]n3)cn2)C1 ZINC001588558938 1166562157 /nfs/dbraw/zinc/56/21/57/1166562157.db2.gz FUUNRLGGRQCYBO-UHFFFAOYSA-N -1 3 300.322 0.333 20 30 DCEDHM C=CCN1CC[C@H](N(C)Cc2ccc(-c3nnn[n-]3)cn2)C1=O ZINC001588654969 1166573987 /nfs/dbraw/zinc/57/39/87/1166573987.db2.gz SQAUPJOIKRIBLT-ZDUSSCGKSA-N -1 3 313.365 0.480 20 30 DCEDHM C=CCN1CC[C@H](N(C)Cc2ccc(-c3nn[n-]n3)cn2)C1=O ZINC001588654969 1166573991 /nfs/dbraw/zinc/57/39/91/1166573991.db2.gz SQAUPJOIKRIBLT-ZDUSSCGKSA-N -1 3 313.365 0.480 20 30 DCEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588659988 1166577425 /nfs/dbraw/zinc/57/74/25/1166577425.db2.gz UXNCTUHIBJKADL-SECBINFHSA-N -1 3 316.321 0.418 20 30 DCEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588659988 1166577430 /nfs/dbraw/zinc/57/74/30/1166577430.db2.gz UXNCTUHIBJKADL-SECBINFHSA-N -1 3 316.321 0.418 20 30 DCEDHM C=CCOC[C@H](NCc1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC001588682128 1166579666 /nfs/dbraw/zinc/57/96/66/1166579666.db2.gz WPQNPFPINVKNFX-ZDUSSCGKSA-N -1 3 317.349 0.701 20 30 DCEDHM C=CCOC[C@H](NCc1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC001588682128 1166579676 /nfs/dbraw/zinc/57/96/76/1166579676.db2.gz WPQNPFPINVKNFX-ZDUSSCGKSA-N -1 3 317.349 0.701 20 30 DCEDHM C=C[C@H](CO)NC(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588727622 1166581888 /nfs/dbraw/zinc/58/18/88/1166581888.db2.gz FDHJKNNMTUGQOE-MRVPVSSYSA-N -1 3 304.310 0.544 20 30 DCEDHM C=C[C@H](CO)NC(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588727622 1166581894 /nfs/dbraw/zinc/58/18/94/1166581894.db2.gz FDHJKNNMTUGQOE-MRVPVSSYSA-N -1 3 304.310 0.544 20 30 DCEDHM C[C@@H](C#N)CNC[C@@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001588933899 1166619307 /nfs/dbraw/zinc/61/93/07/1166619307.db2.gz BEKSGBSSDPKZFH-WDEREUQCSA-N -1 3 302.338 0.356 20 30 DCEDHM CC(C)[C@@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCC#N ZINC001589453417 1166658557 /nfs/dbraw/zinc/65/85/57/1166658557.db2.gz XAYXODXXAVDHID-LLVKDONJSA-N -1 3 302.342 0.062 20 30 DCEDHM CC(C)[C@@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCC#N ZINC001589453417 1166658560 /nfs/dbraw/zinc/65/85/60/1166658560.db2.gz XAYXODXXAVDHID-LLVKDONJSA-N -1 3 302.342 0.062 20 30 DCEDHM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCN1CC#N ZINC001590203607 1166813810 /nfs/dbraw/zinc/81/38/10/1166813810.db2.gz UUWPKBCVMPYNGF-VHSXEESVSA-N -1 3 314.353 0.301 20 30 DCEDHM C[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCN1CC#N ZINC001590203607 1166813817 /nfs/dbraw/zinc/81/38/17/1166813817.db2.gz UUWPKBCVMPYNGF-VHSXEESVSA-N -1 3 314.353 0.301 20 30 DCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNCC#N ZINC001590294018 1166842719 /nfs/dbraw/zinc/84/27/19/1166842719.db2.gz QVJLADAIQQIDFF-KOLCDFICSA-N -1 3 314.353 0.016 20 30 DCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNCC#N ZINC001590294018 1166842725 /nfs/dbraw/zinc/84/27/25/1166842725.db2.gz QVJLADAIQQIDFF-KOLCDFICSA-N -1 3 314.353 0.016 20 30 DCEDHM CC[C@](C)(C#N)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001590372574 1166891589 /nfs/dbraw/zinc/89/15/89/1166891589.db2.gz XCOLQVDOJFYPTD-CQSZACIVSA-N -1 3 314.353 0.730 20 30 DCEDHM CC[C@](C)(C#N)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001590372574 1166891595 /nfs/dbraw/zinc/89/15/95/1166891595.db2.gz XCOLQVDOJFYPTD-CQSZACIVSA-N -1 3 314.353 0.730 20 30 DCEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C#CCOC ZINC001590829135 1167034613 /nfs/dbraw/zinc/03/46/13/1167034613.db2.gz GICXKNPDNCUFJD-UHFFFAOYSA-N -1 3 301.306 0.854 20 30 DCEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C#CCOC ZINC001590829135 1167034616 /nfs/dbraw/zinc/03/46/16/1167034616.db2.gz GICXKNPDNCUFJD-UHFFFAOYSA-N -1 3 301.306 0.854 20 30 DCEDHM CN(C[C@@H](O)c1cccc(C#N)c1)c1c(-c2nnn[n-]2)cnn1C ZINC001591052540 1167096130 /nfs/dbraw/zinc/09/61/30/1167096130.db2.gz DFMSUGHDUDBTNT-CYBMUJFWSA-N -1 3 324.348 0.642 20 30 DCEDHM CN(C[C@@H](O)c1cccc(C#N)c1)c1c(-c2nn[n-]n2)cnn1C ZINC001591052540 1167096134 /nfs/dbraw/zinc/09/61/34/1167096134.db2.gz DFMSUGHDUDBTNT-CYBMUJFWSA-N -1 3 324.348 0.642 20 30 DCEDHM COc1cc(OCC(=O)NCCC#N)ccc1-c1nnn[n-]1 ZINC001591554287 1167328620 /nfs/dbraw/zinc/32/86/20/1167328620.db2.gz WVBOCDXYNKTAOY-UHFFFAOYSA-N -1 3 302.294 0.284 20 30 DCEDHM COc1cc(OCC(=O)NCCC#N)ccc1-c1nn[n-]n1 ZINC001591554287 1167328630 /nfs/dbraw/zinc/32/86/30/1167328630.db2.gz WVBOCDXYNKTAOY-UHFFFAOYSA-N -1 3 302.294 0.284 20 30 DCEDHM Cc1cc(C(=O)N2CC[C@@](F)(C#N)C2)ncc1-c1nnn[n-]1 ZINC001591911376 1167415464 /nfs/dbraw/zinc/41/54/64/1167415464.db2.gz IPHYPFWHFOVHGJ-CYBMUJFWSA-N -1 3 301.285 0.648 20 30 DCEDHM Cc1cc(C(=O)N2CC[C@@](F)(C#N)C2)ncc1-c1nn[n-]n1 ZINC001591911376 1167415469 /nfs/dbraw/zinc/41/54/69/1167415469.db2.gz IPHYPFWHFOVHGJ-CYBMUJFWSA-N -1 3 301.285 0.648 20 30 DCEDHM Cc1ccc(S(=O)(=O)N[C@@H](C)CC#N)c(-c2nnn[n-]2)c1 ZINC001592190571 1167473944 /nfs/dbraw/zinc/47/39/44/1167473944.db2.gz UEMOSZMHAXUKMO-VIFPVBQESA-N -1 3 306.351 0.756 20 30 DCEDHM Cc1ccc(S(=O)(=O)N[C@@H](C)CC#N)c(-c2nn[n-]n2)c1 ZINC001592190571 1167473945 /nfs/dbraw/zinc/47/39/45/1167473945.db2.gz UEMOSZMHAXUKMO-VIFPVBQESA-N -1 3 306.351 0.756 20 30 DCEDHM Cc1cccc(-c2nnn[n-]2)c1S(=O)(=O)NC[C@H](C)C#N ZINC001592212883 1167475404 /nfs/dbraw/zinc/47/54/04/1167475404.db2.gz KMMDBDBXFREMTN-MRVPVSSYSA-N -1 3 306.351 0.613 20 30 DCEDHM Cc1cccc(-c2nn[n-]n2)c1S(=O)(=O)NC[C@H](C)C#N ZINC001592212883 1167475406 /nfs/dbraw/zinc/47/54/06/1167475406.db2.gz KMMDBDBXFREMTN-MRVPVSSYSA-N -1 3 306.351 0.613 20 30 DCEDHM Cc1ccnc(N2C[C@H](C)N(CC#N)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001592274184 1167482352 /nfs/dbraw/zinc/48/23/52/1167482352.db2.gz NVTPUKYICSQERQ-RYUDHWBXSA-N -1 3 312.381 0.993 20 30 DCEDHM Cc1ccnc(N2C[C@H](C)N(CC#N)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592274184 1167482358 /nfs/dbraw/zinc/48/23/58/1167482358.db2.gz NVTPUKYICSQERQ-RYUDHWBXSA-N -1 3 312.381 0.993 20 30 DCEDHM Cn1nccc1CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001592606001 1167581661 /nfs/dbraw/zinc/58/16/61/1167581661.db2.gz UXENOMJKQFWTIE-UHFFFAOYSA-N -1 3 308.305 0.653 20 30 DCEDHM Cn1nccc1CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001592606001 1167581668 /nfs/dbraw/zinc/58/16/68/1167581668.db2.gz UXENOMJKQFWTIE-UHFFFAOYSA-N -1 3 308.305 0.653 20 30 DCEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1)C1CC1 ZINC001592668526 1167592413 /nfs/dbraw/zinc/59/24/13/1167592413.db2.gz FEKBJVBJSJKPES-SECBINFHSA-N -1 3 303.713 0.947 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ncc[nH]1 ZINC001592666879 1167592794 /nfs/dbraw/zinc/59/27/94/1167592794.db2.gz SEQZORKAKJPJJY-LBPRGKRZSA-N -1 3 322.332 0.588 20 30 DCEDHM N#C[C@]1(F)CCN(C[C@H](O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592670862 1167593807 /nfs/dbraw/zinc/59/38/07/1167593807.db2.gz SOYHCKDUADSMPP-GXTWGEPZSA-N -1 3 302.313 0.838 20 30 DCEDHM N#C[C@]1(F)CCN(C[C@H](O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592670862 1167593811 /nfs/dbraw/zinc/59/38/11/1167593811.db2.gz SOYHCKDUADSMPP-GXTWGEPZSA-N -1 3 302.313 0.838 20 30 DCEDHM N#CCNC1CCC(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001592678639 1167598067 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O=C(NCC#C[C@H]1CCCCO1)c1cc(-c2nn[n-]n2)ccn1 ZINC001593005796 1167686737 /nfs/dbraw/zinc/68/67/37/1167686737.db2.gz VDFYFXYUVSZDTK-GFCCVEGCSA-N -1 3 312.333 0.564 20 30 DCEDHM N#Cc1ccc(S(=O)(=O)CCNC2(CC(=O)[O-])CC2)nc1 ZINC001601110503 1168586707 /nfs/dbraw/zinc/58/67/07/1168586707.db2.gz AVUSQLSDTRASEM-UHFFFAOYSA-N -1 3 309.347 0.324 20 30 DCEDHM N#Cc1ccc2ncc(CNCCn3cc(C(=O)[O-])nn3)n2c1 ZINC001601115722 1168587410 /nfs/dbraw/zinc/58/74/10/1168587410.db2.gz BGVMGYDCPVKEJK-UHFFFAOYSA-N -1 3 311.305 0.285 20 30 DCEDHM N#Cc1nc(C(=O)[O-])ccc1NC[C@H]1CN2CCC[C@H]2CO1 ZINC001601133094 1168592807 /nfs/dbraw/zinc/59/28/07/1168592807.db2.gz LNQKZXVESOIFKO-QWRGUYRKSA-N -1 3 302.334 0.927 20 30 DCEDHM N#Cc1ncn(CCNCc2cc(C(=O)[O-])c3n2CCCC3)n1 ZINC001601136585 1168594308 /nfs/dbraw/zinc/59/43/08/1168594308.db2.gz VLOWMTYLDVNDEG-UHFFFAOYSA-N -1 3 314.349 0.776 20 30 DCEDHM C#C[C@H](C)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001602690469 1169160694 /nfs/dbraw/zinc/16/06/94/1169160694.db2.gz 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N#C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC001581860060 1165891776 /nfs/dbraw/zinc/89/17/76/1165891776.db2.gz IWLQGQXPWVKXPN-VHSXEESVSA-N -1 3 318.362 0.837 20 30 DCEDHM N#C[C@H]1CC[C@@H](NS(=O)(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC001581860060 1165891783 /nfs/dbraw/zinc/89/17/83/1165891783.db2.gz IWLQGQXPWVKXPN-VHSXEESVSA-N -1 3 318.362 0.837 20 30 DCEDHM N#C[C@H]1C[C@H]1C(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001581859885 1165892431 /nfs/dbraw/zinc/89/24/31/1165892431.db2.gz AHGUDEJMZJGQEE-ZYHUDNBSSA-N -1 3 324.348 0.070 20 30 DCEDHM N#C[C@H]1C[C@H]1C(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001581859885 1165892435 /nfs/dbraw/zinc/89/24/35/1165892435.db2.gz AHGUDEJMZJGQEE-ZYHUDNBSSA-N -1 3 324.348 0.070 20 30 DCEDHM O=C(C#CC1CC1)N[C@H]1C[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001581912194 1165912288 /nfs/dbraw/zinc/91/22/88/1165912288.db2.gz ATHHKLQKLOHZRX-HAQNSBGRSA-N -1 3 323.360 0.734 20 30 DCEDHM O=C(C#CC1CC1)N[C@H]1C[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001581912194 1165912292 /nfs/dbraw/zinc/91/22/92/1165912292.db2.gz ATHHKLQKLOHZRX-HAQNSBGRSA-N -1 3 323.360 0.734 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)NC/C=C/CNC(=O)C#CC1CC1 ZINC001583305528 1166241199 /nfs/dbraw/zinc/24/11/99/1166241199.db2.gz QPQQIRHRCHYIHB-NSCUHMNNSA-N -1 3 314.345 0.306 20 30 DCEDHM C#CCCCC(=O)NC[C@@H]1CCN1C(=O)c1cnc[n-]c1=O ZINC001584638947 1166347585 /nfs/dbraw/zinc/34/75/85/1166347585.db2.gz GOHXYOVSVZWHPB-NSHDSACASA-N -1 3 302.334 0.316 20 30 DCEDHM C#CC(C)(C)NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588325375 1166521220 /nfs/dbraw/zinc/52/12/20/1166521220.db2.gz KESXUAOGJZXHBK-UHFFFAOYSA-N -1 3 305.363 0.865 20 30 DCEDHM C#CC(C)(C)NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588325375 1166521226 /nfs/dbraw/zinc/52/12/26/1166521226.db2.gz KESXUAOGJZXHBK-UHFFFAOYSA-N -1 3 305.363 0.865 20 30 DCEDHM C#CC[C@@H](NC(=O)c1csc(-c2nnn[n-]2)c1)C(=O)OC ZINC001588333919 1166530987 /nfs/dbraw/zinc/53/09/87/1166530987.db2.gz IQWKBCOHNRMTIM-MRVPVSSYSA-N -1 3 305.319 0.223 20 30 DCEDHM C#CC[C@H](NC(=O)c1csc(-c2nnn[n-]2)c1)C(=O)OC ZINC001588333920 1166532775 /nfs/dbraw/zinc/53/27/75/1166532775.db2.gz IQWKBCOHNRMTIM-QMMMGPOBSA-N -1 3 305.319 0.223 20 30 DCEDHM C#CCC[C@H](O)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588337960 1166535385 /nfs/dbraw/zinc/53/53/85/1166535385.db2.gz ZGXPVGAGFQDQDP-JTQLQIEISA-N -1 3 318.312 0.902 20 30 DCEDHM C#CCC[C@H](O)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588337960 1166535391 /nfs/dbraw/zinc/53/53/91/1166535391.db2.gz ZGXPVGAGFQDQDP-JTQLQIEISA-N -1 3 318.312 0.902 20 30 DCEDHM C#CCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588347117 1166538645 /nfs/dbraw/zinc/53/86/45/1166538645.db2.gz LIRKIKILPQWNRD-UHFFFAOYSA-N -1 3 302.269 0.084 20 30 DCEDHM C#CCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588347117 1166538647 /nfs/dbraw/zinc/53/86/47/1166538647.db2.gz LIRKIKILPQWNRD-UHFFFAOYSA-N -1 3 302.269 0.084 20 30 DCEDHM C#CCN(CC#N)CCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588350217 1166540124 /nfs/dbraw/zinc/54/01/24/1166540124.db2.gz JDAYUTKBNLHRPP-UHFFFAOYSA-N -1 3 309.333 0.654 20 30 DCEDHM C#CCN(CC#N)CCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588350217 1166540133 /nfs/dbraw/zinc/54/01/33/1166540133.db2.gz JDAYUTKBNLHRPP-UHFFFAOYSA-N -1 3 309.333 0.654 20 30 DCEDHM C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588353104 1166542999 /nfs/dbraw/zinc/54/29/99/1166542999.db2.gz GUDIUVDBFSBPAS-SNVBAGLBSA-N -1 3 313.317 0.470 20 30 DCEDHM C#CCNC(=O)[C@@H](C)OC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588353104 1166543007 /nfs/dbraw/zinc/54/30/07/1166543007.db2.gz GUDIUVDBFSBPAS-SNVBAGLBSA-N -1 3 313.317 0.470 20 30 DCEDHM C#CCN1CCC[C@@H](NC(=O)c2cscc2-c2nnn[n-]2)C1 ZINC001588352877 1166543162 /nfs/dbraw/zinc/54/31/62/1166543162.db2.gz ZKXHSIMYMPSWJW-SNVBAGLBSA-N -1 3 316.390 0.756 20 30 DCEDHM C#CCN1CCC[C@@H](NC(=O)c2cscc2-c2nn[n-]n2)C1 ZINC001588352877 1166543173 /nfs/dbraw/zinc/54/31/73/1166543173.db2.gz ZKXHSIMYMPSWJW-SNVBAGLBSA-N -1 3 316.390 0.756 20 30 DCEDHM C#CCO[C@H](C)C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC ZINC001588360182 1166547065 /nfs/dbraw/zinc/54/70/65/1166547065.db2.gz KAZXNWZBNIGJMV-SNVBAGLBSA-N -1 3 316.317 0.957 20 30 DCEDHM C#CCO[C@H](C)C(=O)OCc1cc(-c2nn[n-]n2)ccc1OC ZINC001588360182 1166547070 /nfs/dbraw/zinc/54/70/70/1166547070.db2.gz KAZXNWZBNIGJMV-SNVBAGLBSA-N -1 3 316.317 0.957 20 30 DCEDHM C#CCOCCN(C)C(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588362396 1166547743 /nfs/dbraw/zinc/54/77/43/1166547743.db2.gz DKAZDGUXBPHOIR-UHFFFAOYSA-N -1 3 300.322 0.292 20 30 DCEDHM C#CCOCCN(C)C(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588362396 1166547748 /nfs/dbraw/zinc/54/77/48/1166547748.db2.gz DKAZDGUXBPHOIR-UHFFFAOYSA-N -1 3 300.322 0.292 20 30 DCEDHM C#CCOCCNC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001588363609 1166549602 /nfs/dbraw/zinc/54/96/02/1166549602.db2.gz PZWZQAAVTUJOAF-UHFFFAOYSA-N -1 3 306.351 0.377 20 30 DCEDHM C#CCn1cc(CNC(=O)c2ccc(-c3nnn[n-]3)cc2C)cn1 ZINC001588364059 1166550267 /nfs/dbraw/zinc/55/02/67/1166550267.db2.gz QHKJCKYKSFKGAU-UHFFFAOYSA-N -1 3 321.344 0.935 20 30 DCEDHM C#CCn1cc(CNC(=O)c2ccc(-c3nn[n-]n3)cc2C)cn1 ZINC001588364059 1166550274 /nfs/dbraw/zinc/55/02/74/1166550274.db2.gz QHKJCKYKSFKGAU-UHFFFAOYSA-N -1 3 321.344 0.935 20 30 DCEDHM C=C1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588462765 1166558658 /nfs/dbraw/zinc/55/86/58/1166558658.db2.gz RABNGZKLFOBEKX-UHFFFAOYSA-N -1 3 306.351 0.602 20 30 DCEDHM C=C1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588462765 1166558661 /nfs/dbraw/zinc/55/86/61/1166558661.db2.gz RABNGZKLFOBEKX-UHFFFAOYSA-N -1 3 306.351 0.602 20 30 DCEDHM C=C[C@H](O)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588525981 1166560237 /nfs/dbraw/zinc/56/02/37/1166560237.db2.gz OTKRAYLHXROYEO-ZDUSSCGKSA-N -1 3 314.349 0.062 20 30 DCEDHM C=CC[C@@H](CO)NS(=O)(=O)c1cccc(C)c1-c1nnn[n-]1 ZINC001588545734 1166563011 /nfs/dbraw/zinc/56/30/11/1166563011.db2.gz MNTMWYKCGLKNHO-JTQLQIEISA-N -1 3 323.378 0.390 20 30 DCEDHM C=CC[C@@H](CO)NS(=O)(=O)c1cccc(C)c1-c1nn[n-]n1 ZINC001588545734 1166563014 /nfs/dbraw/zinc/56/30/14/1166563014.db2.gz MNTMWYKCGLKNHO-JTQLQIEISA-N -1 3 323.378 0.390 20 30 DCEDHM C=CCC[C@H](CO)NC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588579874 1166564763 /nfs/dbraw/zinc/56/47/63/1166564763.db2.gz UVKZHZPKPKLNSM-LLVKDONJSA-N -1 3 302.338 0.627 20 30 DCEDHM C=CCC[C@H](CO)NC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588579874 1166564770 /nfs/dbraw/zinc/56/47/70/1166564770.db2.gz UVKZHZPKPKLNSM-LLVKDONJSA-N -1 3 302.338 0.627 20 30 DCEDHM C=CCC[C@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)C(=O)OCC ZINC001588579583 1166566124 /nfs/dbraw/zinc/56/61/24/1166566124.db2.gz OVZZIWROUJGCCV-JTQLQIEISA-N -1 3 318.337 0.823 20 30 DCEDHM C=CCC[C@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)C(=O)OCC ZINC001588579583 1166566131 /nfs/dbraw/zinc/56/61/31/1166566131.db2.gz OVZZIWROUJGCCV-JTQLQIEISA-N -1 3 318.337 0.823 20 30 DCEDHM C=CCN1CC(=O)N([C@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)C1=O ZINC001588654680 1166573677 /nfs/dbraw/zinc/57/36/77/1166573677.db2.gz NFCHYBFYJYDMSV-ZDUSSCGKSA-N -1 3 324.344 0.784 20 30 DCEDHM C=CCN1CC(=O)N([C@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)C1=O ZINC001588654680 1166573683 /nfs/dbraw/zinc/57/36/83/1166573683.db2.gz NFCHYBFYJYDMSV-ZDUSSCGKSA-N -1 3 324.344 0.784 20 30 DCEDHM C=CCOC[C@H]1NC(=O)N(c2cccc(-c3nnn[n-]3)c2)C1=O ZINC001588680774 1166578645 /nfs/dbraw/zinc/57/86/45/1166578645.db2.gz CPHBVEBAQCPDLJ-LLVKDONJSA-N -1 3 314.305 0.494 20 30 DCEDHM C=CCOC[C@H]1NC(=O)N(c2cccc(-c3nn[n-]n3)c2)C1=O ZINC001588680774 1166578653 /nfs/dbraw/zinc/57/86/53/1166578653.db2.gz CPHBVEBAQCPDLJ-LLVKDONJSA-N -1 3 314.305 0.494 20 30 DCEDHM CC(=O)c1ccc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)cc1 ZINC001588915278 1166617685 /nfs/dbraw/zinc/61/76/85/1166617685.db2.gz YTURFVBDKXPUNR-UHFFFAOYSA-N -1 3 308.305 0.768 20 30 DCEDHM CC(=O)c1ccc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)cc1 ZINC001588915278 1166617692 /nfs/dbraw/zinc/61/76/92/1166617692.db2.gz YTURFVBDKXPUNR-UHFFFAOYSA-N -1 3 308.305 0.768 20 30 DCEDHM CC(C)C#CC(=O)NC[C@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001589387246 1166655049 /nfs/dbraw/zinc/65/50/49/1166655049.db2.gz ILEDMAUKXPCBIK-NSHDSACASA-N -1 3 313.365 0.838 20 30 DCEDHM CC(C)C#CC(=O)NC[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001589387246 1166655057 /nfs/dbraw/zinc/65/50/57/1166655057.db2.gz ILEDMAUKXPCBIK-NSHDSACASA-N -1 3 313.365 0.838 20 30 DCEDHM C[C@H]1C(=O)N(N=Cc2csc(-c3nnn[n-]3)c2)C(=O)N1C ZINC001590164974 1166796511 /nfs/dbraw/zinc/79/65/11/1166796511.db2.gz JEGHIKGXQWPUSI-LURJTMIESA-N -1 3 305.323 0.545 20 30 DCEDHM C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H](C)N1CC#N ZINC001590296021 1166844946 /nfs/dbraw/zinc/84/49/46/1166844946.db2.gz ZHCXAOIWVBEVQI-UWVGGRQHSA-N -1 3 314.353 0.253 20 30 DCEDHM C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H](C)N1CC#N ZINC001590296021 1166844954 /nfs/dbraw/zinc/84/49/54/1166844954.db2.gz ZHCXAOIWVBEVQI-UWVGGRQHSA-N -1 3 314.353 0.253 20 30 DCEDHM CC[C@@H](CC#N)NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590420285 1166901850 /nfs/dbraw/zinc/90/18/50/1166901850.db2.gz VSGJUPSKLFUFHT-JTQLQIEISA-N -1 3 324.341 0.976 20 30 DCEDHM CC[C@@H](CC#N)NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590420285 1166901858 /nfs/dbraw/zinc/90/18/58/1166901858.db2.gz VSGJUPSKLFUFHT-JTQLQIEISA-N -1 3 324.341 0.976 20 30 DCEDHM CNC(=O)[C@H](C#N)C(=O)[C@@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591198142 1167147532 /nfs/dbraw/zinc/14/75/32/1167147532.db2.gz GZVINAXKPYCKHA-JOYOIKCWSA-N -1 3 312.333 0.500 20 30 DCEDHM CNC(=O)[C@@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591204265 1167153348 /nfs/dbraw/zinc/15/33/48/1167153348.db2.gz SXAWZRXNWIKZMZ-LLVKDONJSA-N -1 3 311.349 0.701 20 30 DCEDHM CNC(=O)[C@@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591204265 1167153351 /nfs/dbraw/zinc/15/33/51/1167153351.db2.gz SXAWZRXNWIKZMZ-LLVKDONJSA-N -1 3 311.349 0.701 20 30 DCEDHM COC(=O)CCN(CC#N)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001591264534 1167185666 /nfs/dbraw/zinc/18/56/66/1167185666.db2.gz HCVIAYQIBOVDLT-UHFFFAOYSA-N -1 3 320.334 0.457 20 30 DCEDHM COC(=O)CCN(CC#N)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001591264534 1167185672 /nfs/dbraw/zinc/18/56/72/1167185672.db2.gz HCVIAYQIBOVDLT-UHFFFAOYSA-N -1 3 320.334 0.457 20 30 DCEDHM COc1cc(C=NN2CCN(C)CC2)ccc1-c1nnn[n-]1 ZINC001591523713 1167323741 /nfs/dbraw/zinc/32/37/41/1167323741.db2.gz ZNSMNXTYQJRHMP-UHFFFAOYSA-N -1 3 301.354 0.457 20 30 DCEDHM COc1cc(C=NN2CCN(C)CC2)ccc1-c1nn[n-]n1 ZINC001591523713 1167323746 /nfs/dbraw/zinc/32/37/46/1167323746.db2.gz ZNSMNXTYQJRHMP-UHFFFAOYSA-N -1 3 301.354 0.457 20 30 DCEDHM COc1ncc(NC(=O)c2ccc(C#N)o2)cc1-c1nnn[n-]1 ZINC001591667625 1167346341 /nfs/dbraw/zinc/34/63/41/1167346341.db2.gz ZNMJGDKPGRNGLD-UHFFFAOYSA-N -1 3 311.261 0.987 20 30 DCEDHM CSC[C@@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001591691896 1167355230 /nfs/dbraw/zinc/35/52/30/1167355230.db2.gz SGLRRJWVHYQDKN-GFCCVEGCSA-N -1 3 305.367 0.580 20 30 DCEDHM CSC[C@@](C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001591691896 1167355235 /nfs/dbraw/zinc/35/52/35/1167355235.db2.gz SGLRRJWVHYQDKN-GFCCVEGCSA-N -1 3 305.367 0.580 20 30 DCEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)Nc1nn(C)cc1C#N ZINC001591880597 1167409518 /nfs/dbraw/zinc/40/95/18/1167409518.db2.gz FJDHMIGXTSEHCS-UHFFFAOYSA-N -1 3 309.293 0.428 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)Nc1nn(C)cc1C#N ZINC001591880597 1167409522 /nfs/dbraw/zinc/40/95/22/1167409522.db2.gz FJDHMIGXTSEHCS-UHFFFAOYSA-N -1 3 309.293 0.428 20 30 DCEDHM Cc1cc(S(=O)(=O)N(C)[C@@H](C)C#N)ccc1-c1nnn[n-]1 ZINC001592064354 1167449286 /nfs/dbraw/zinc/44/92/86/1167449286.db2.gz XUOAPYHCIYECNH-VIFPVBQESA-N -1 3 306.351 0.708 20 30 DCEDHM Cc1cc(S(=O)(=O)N(C)[C@@H](C)C#N)ccc1-c1nn[n-]n1 ZINC001592064354 1167449288 /nfs/dbraw/zinc/44/92/88/1167449288.db2.gz XUOAPYHCIYECNH-VIFPVBQESA-N -1 3 306.351 0.708 20 30 DCEDHM Cc1[nH]nc(NC(=O)C2(C#N)CCOCC2)c1-c1nnn[n-]1 ZINC001592328004 1167488274 /nfs/dbraw/zinc/48/82/74/1167488274.db2.gz ONXMCINLSIYZPC-UHFFFAOYSA-N -1 3 302.298 0.157 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)c1nccs1 ZINC001592340095 1167495634 /nfs/dbraw/zinc/49/56/34/1167495634.db2.gz CMYWZAJMJOQITD-UHFFFAOYSA-N -1 3 300.307 0.583 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)c1nccs1 ZINC001592340095 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/nfs/dbraw/zinc/37/29/54/598372954.db2.gz MTIFRAXGXFLSPG-LLVKDONJSA-N -1 3 313.321 0.931 20 30 DCEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N1CCO[C@H](C#N)C1 ZINC000737291483 598372955 /nfs/dbraw/zinc/37/29/55/598372955.db2.gz MTIFRAXGXFLSPG-LLVKDONJSA-N -1 3 313.321 0.931 20 30 DCEDHM COC[C@@](C)(C#N)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821680410 607357504 /nfs/dbraw/zinc/35/75/04/607357504.db2.gz IFYFWSJRZPCJMP-CQSZACIVSA-N -1 3 300.322 0.454 20 30 DCEDHM COC[C@@](C)(C#N)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000821680410 607357506 /nfs/dbraw/zinc/35/75/06/607357506.db2.gz IFYFWSJRZPCJMP-CQSZACIVSA-N -1 3 300.322 0.454 20 30 DCEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC[C@H](C)C#N ZINC000735505725 598625205 /nfs/dbraw/zinc/62/52/05/598625205.db2.gz SJMUOURLUBLVGK-NXEZZACHSA-N -1 3 300.322 0.910 20 30 DCEDHM CC(C)c1nc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)no1 ZINC000735941421 598717691 /nfs/dbraw/zinc/71/76/91/598717691.db2.gz XSUXGFCJUNGHEI-UHFFFAOYSA-N -1 3 300.286 0.072 20 30 DCEDHM CC(C)c1nc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)no1 ZINC000735941421 598717693 /nfs/dbraw/zinc/71/76/93/598717693.db2.gz XSUXGFCJUNGHEI-UHFFFAOYSA-N -1 3 300.286 0.072 20 30 DCEDHM N#CCCCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737687841 598769033 /nfs/dbraw/zinc/76/90/33/598769033.db2.gz MYXGJQYOEVDAAF-UHFFFAOYSA-N -1 3 306.351 0.839 20 30 DCEDHM N#CCCCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737687841 598769035 /nfs/dbraw/zinc/76/90/35/598769035.db2.gz MYXGJQYOEVDAAF-UHFFFAOYSA-N -1 3 306.351 0.839 20 30 DCEDHM C#CCN1CCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC000735381141 598811439 /nfs/dbraw/zinc/81/14/39/598811439.db2.gz MILXQFQVOQGZGD-UHFFFAOYSA-N -1 3 302.363 0.319 20 30 DCEDHM C#CCN1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000735381141 598811441 /nfs/dbraw/zinc/81/14/41/598811441.db2.gz MILXQFQVOQGZGD-UHFFFAOYSA-N -1 3 302.363 0.319 20 30 DCEDHM C#CCCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819698188 599441043 /nfs/dbraw/zinc/44/10/43/599441043.db2.gz UIBQDOGUKOAMEB-UHFFFAOYSA-N -1 3 300.322 0.568 20 30 DCEDHM C#CCCCNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000819693901 599468144 /nfs/dbraw/zinc/46/81/44/599468144.db2.gz YHRMCZIELGJBMI-UHFFFAOYSA-N -1 3 314.353 0.386 20 30 DCEDHM C#CCCCNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000819693901 599468145 /nfs/dbraw/zinc/46/81/45/599468145.db2.gz YHRMCZIELGJBMI-UHFFFAOYSA-N -1 3 314.353 0.386 20 30 DCEDHM C[C@@H](C#N)C(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000735503023 599491854 /nfs/dbraw/zinc/49/18/54/599491854.db2.gz FQOZUGHFUHDWSQ-JTQLQIEISA-N -1 3 312.337 0.070 20 30 DCEDHM C[C@@H](C#N)C(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000735503023 599491856 /nfs/dbraw/zinc/49/18/56/599491856.db2.gz FQOZUGHFUHDWSQ-JTQLQIEISA-N -1 3 312.337 0.070 20 30 DCEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(NC(N)=O)CC2)c1 ZINC000833074250 601322503 /nfs/dbraw/zinc/32/25/03/601322503.db2.gz SRTWZSSJQBQTIY-CYBMUJFWSA-N -1 3 302.334 0.817 20 30 DCEDHM C#CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823844626 607614050 /nfs/dbraw/zinc/61/40/50/607614050.db2.gz DPWSJCIXEBZQSF-UHFFFAOYSA-N -1 3 311.754 0.822 20 30 DCEDHM C#CCCNS(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000823844626 607614052 /nfs/dbraw/zinc/61/40/52/607614052.db2.gz DPWSJCIXEBZQSF-UHFFFAOYSA-N -1 3 311.754 0.822 20 30 DCEDHM CN(C(=O)[O-])[C@H]1CCN(C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000827882584 603817577 /nfs/dbraw/zinc/81/75/77/603817577.db2.gz PHLXEIRBLSATCA-UONOGXRCSA-N -1 3 319.361 0.982 20 30 DCEDHM CC(C)NC(=O)C(C#N)C(=O)CN(C[C@@H]1CCCO1)C(=O)[O-] ZINC000824368215 604220976 /nfs/dbraw/zinc/22/09/76/604220976.db2.gz KQKAHJYAGDGUDK-WDEREUQCSA-N -1 3 311.338 0.379 20 30 DCEDHM CC(C)NC(=O)C(C#N)C(=O)C[C@@H]1CSCCN1C(=O)[O-] ZINC000824368619 605346332 /nfs/dbraw/zinc/34/63/32/605346332.db2.gz OBRVASMKZKZVKJ-ZJUUUORDSA-N -1 3 313.379 0.705 20 30 DCEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@@H](C)C#N ZINC000822154220 606050340 /nfs/dbraw/zinc/05/03/40/606050340.db2.gz UIDRONXJDPETRM-QMMMGPOBSA-N -1 3 306.351 0.613 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@@H](C)C#N ZINC000822154220 606050346 /nfs/dbraw/zinc/05/03/46/606050346.db2.gz UIDRONXJDPETRM-QMMMGPOBSA-N -1 3 306.351 0.613 20 30 DCEDHM CN(CCC#N)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821598062 606332455 /nfs/dbraw/zinc/33/24/55/606332455.db2.gz PQPGFAUHFLZKKJ-UHFFFAOYSA-N -1 3 320.378 0.486 20 30 DCEDHM CN(CCC#N)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821598062 606332456 /nfs/dbraw/zinc/33/24/56/606332456.db2.gz PQPGFAUHFLZKKJ-UHFFFAOYSA-N -1 3 320.378 0.486 20 30 DCEDHM CN(CCC#N)[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821597929 606332536 /nfs/dbraw/zinc/33/25/36/606332536.db2.gz LOBFYEHCTKZXQN-JTQLQIEISA-N -1 3 317.378 0.879 20 30 DCEDHM CN(CCC#N)[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821597929 606332538 /nfs/dbraw/zinc/33/25/38/606332538.db2.gz LOBFYEHCTKZXQN-JTQLQIEISA-N -1 3 317.378 0.879 20 30 DCEDHM C=C(COC(=O)c1cc(-c2nnn[n-]2)cn1C)C(=O)OCC ZINC000819722943 606388101 /nfs/dbraw/zinc/38/81/01/606388101.db2.gz RVBGVFIABCLUHI-UHFFFAOYSA-N -1 3 305.294 0.481 20 30 DCEDHM C=C(COC(=O)c1cc(-c2nn[n-]n2)cn1C)C(=O)OCC ZINC000819722943 606388103 /nfs/dbraw/zinc/38/81/03/606388103.db2.gz RVBGVFIABCLUHI-UHFFFAOYSA-N -1 3 305.294 0.481 20 30 DCEDHM C=CCNC(=O)COC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819750459 606757915 /nfs/dbraw/zinc/75/79/15/606757915.db2.gz FHFQMEFOPSMGRQ-UHFFFAOYSA-N -1 3 323.259 0.604 20 30 DCEDHM C=CCNC(=O)COC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819750459 606757916 /nfs/dbraw/zinc/75/79/16/606757916.db2.gz FHFQMEFOPSMGRQ-UHFFFAOYSA-N -1 3 323.259 0.604 20 30 DCEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819729475 606837163 /nfs/dbraw/zinc/83/71/63/606837163.db2.gz HBYHIIXEERHOMC-SSDOTTSWSA-N -1 3 304.285 0.635 20 30 DCEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819729475 606837164 /nfs/dbraw/zinc/83/71/64/606837164.db2.gz HBYHIIXEERHOMC-SSDOTTSWSA-N -1 3 304.285 0.635 20 30 DCEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000819730330 606837499 /nfs/dbraw/zinc/83/74/99/606837499.db2.gz WBIRKVBTWCPEDU-SECBINFHSA-N -1 3 300.322 0.804 20 30 DCEDHM C=C[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000819730330 606837501 /nfs/dbraw/zinc/83/75/01/606837501.db2.gz WBIRKVBTWCPEDU-SECBINFHSA-N -1 3 300.322 0.804 20 30 DCEDHM N#C[C@H]1COCCN1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822806896 606929222 /nfs/dbraw/zinc/92/92/22/606929222.db2.gz VDHGAGUTFOSERT-QWHCGFSZSA-N -1 3 300.322 0.124 20 30 DCEDHM N#C[C@H]1COCCN1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822806896 606929224 /nfs/dbraw/zinc/92/92/24/606929224.db2.gz VDHGAGUTFOSERT-QWHCGFSZSA-N -1 3 300.322 0.124 20 30 DCEDHM C=C(C)[C@@H](CC(=O)Nc1ccncc1-c1nnn[n-]1)OCC ZINC000823873015 607898677 /nfs/dbraw/zinc/89/86/77/607898677.db2.gz GRDBRVFNECVHIU-GFCCVEGCSA-N -1 3 302.338 0.993 20 30 DCEDHM C=C(C)[C@@H](CC(=O)Nc1ccncc1-c1nn[n-]n1)OCC ZINC000823873015 607898678 /nfs/dbraw/zinc/89/86/78/607898678.db2.gz GRDBRVFNECVHIU-GFCCVEGCSA-N -1 3 302.338 0.993 20 30 DCEDHM COC[C@@H](C#N)OC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826147868 608143454 /nfs/dbraw/zinc/14/34/54/608143454.db2.gz OLUQZICIMBVNII-SECBINFHSA-N -1 3 303.278 0.327 20 30 DCEDHM COC[C@@H](C#N)OC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826147868 608143455 /nfs/dbraw/zinc/14/34/55/608143455.db2.gz OLUQZICIMBVNII-SECBINFHSA-N -1 3 303.278 0.327 20 30 DCEDHM C[C@H]1CC(NC(=O)CNc2ccc(-c3nn[n-]n3)cc2)=NO1 ZINC000824883331 608207643 /nfs/dbraw/zinc/20/76/43/608207643.db2.gz GMIRZADSQGZBOD-QMMMGPOBSA-N -1 3 301.310 0.517 20 30 DCEDHM C#CCCCCC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000823838957 608292250 /nfs/dbraw/zinc/29/22/50/608292250.db2.gz WXVZYYMNKGIOSK-UHFFFAOYSA-N -1 3 313.365 0.983 20 30 DCEDHM C#CCCCCC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000823838957 608292251 /nfs/dbraw/zinc/29/22/51/608292251.db2.gz WXVZYYMNKGIOSK-UHFFFAOYSA-N -1 3 313.365 0.983 20 30 DCEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCC(=O)NCC#N ZINC000825481047 609178213 /nfs/dbraw/zinc/17/82/13/609178213.db2.gz SKVUFLHBQSGOEY-UHFFFAOYSA-N -1 3 300.326 0.350 20 30 DCEDHM C[C@@H](C#N)CN(C)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824034517 609208507 /nfs/dbraw/zinc/20/85/07/609208507.db2.gz LGXNPSHZQMSDDK-CABZTGNLSA-N -1 3 300.322 0.518 20 30 DCEDHM C[C@@H](C#N)CN(C)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824034517 609208508 /nfs/dbraw/zinc/20/85/08/609208508.db2.gz LGXNPSHZQMSDDK-CABZTGNLSA-N -1 3 300.322 0.518 20 30 DCEDHM CC(C)(C)[C@@H](C#N)NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824071322 609244577 /nfs/dbraw/zinc/24/45/77/609244577.db2.gz HLQKXHLHLGOHLV-NEPJUHHUSA-N -1 3 314.349 0.955 20 30 DCEDHM CC(C)(C)[C@@H](C#N)NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824071322 609244579 /nfs/dbraw/zinc/24/45/79/609244579.db2.gz HLQKXHLHLGOHLV-NEPJUHHUSA-N -1 3 314.349 0.955 20 30 DCEDHM C=CCNC(=O)CNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000823919449 609265149 /nfs/dbraw/zinc/26/51/49/609265149.db2.gz GBQUINGRAMYJLO-BQYQJAHWSA-N -1 3 312.333 0.298 20 30 DCEDHM C=CCNC(=O)CNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000823919449 609265151 /nfs/dbraw/zinc/26/51/51/609265151.db2.gz GBQUINGRAMYJLO-BQYQJAHWSA-N -1 3 312.333 0.298 20 30 DCEDHM CC(C)(C#N)CS(=O)(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000824059410 609294990 /nfs/dbraw/zinc/29/49/90/609294990.db2.gz TUJDWAFPFYNEDG-UHFFFAOYSA-N -1 3 320.378 0.836 20 30 DCEDHM CC(C)(C#N)CS(=O)(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000824059410 609294991 /nfs/dbraw/zinc/29/49/91/609294991.db2.gz TUJDWAFPFYNEDG-UHFFFAOYSA-N -1 3 320.378 0.836 20 30 DCEDHM C[C@H](C#N)CNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC000824034447 609384126 /nfs/dbraw/zinc/38/41/26/609384126.db2.gz JYYBNMWCJUQPSS-SSDOTTSWSA-N -1 3 307.339 0.086 20 30 DCEDHM C[C@H](C#N)CNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC000824034447 609384128 /nfs/dbraw/zinc/38/41/28/609384128.db2.gz JYYBNMWCJUQPSS-SSDOTTSWSA-N -1 3 307.339 0.086 20 30 DCEDHM C=CCOCCN[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823925654 609513328 /nfs/dbraw/zinc/51/33/28/609513328.db2.gz NLRJWHDDHHRHRY-LBPRGKRZSA-N -1 3 302.338 0.185 20 30 DCEDHM 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AJQZHZBPYVJBLA-UHFFFAOYSA-N -1 3 301.310 0.423 20 30 DCEDHM C#CCN(C)C(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588349096 1166539255 /nfs/dbraw/zinc/53/92/55/1166539255.db2.gz CCGDKOCWJWQFTP-UHFFFAOYSA-N -1 3 300.322 0.650 20 30 DCEDHM C#CCN(C)C(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588349096 1166539264 /nfs/dbraw/zinc/53/92/64/1166539264.db2.gz CCGDKOCWJWQFTP-UHFFFAOYSA-N -1 3 300.322 0.650 20 30 DCEDHM C#CCNC(=O)[C@H](C)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC001588352951 1166543268 /nfs/dbraw/zinc/54/32/68/1166543268.db2.gz BGYCPUHEYWTPOE-JTQLQIEISA-N -1 3 314.349 0.815 20 30 DCEDHM C#CCNC(=O)[C@H](C)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC001588352951 1166543275 /nfs/dbraw/zinc/54/32/75/1166543275.db2.gz BGYCPUHEYWTPOE-JTQLQIEISA-N -1 3 314.349 0.815 20 30 DCEDHM C#CCn1cc(CNC(=O)c2cccc(-c3nnn[n-]3)c2C)cn1 ZINC001588364195 1166549475 /nfs/dbraw/zinc/54/94/75/1166549475.db2.gz YUNVFRJDXDIWRV-UHFFFAOYSA-N -1 3 321.344 0.935 20 30 DCEDHM C#CCn1cc(CNC(=O)c2cccc(-c3nn[n-]n3)c2C)cn1 ZINC001588364195 1166549478 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C#CCNC(=O)Cn1ccc(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000819702237 606176715 /nfs/dbraw/zinc/17/67/15/606176715.db2.gz UXOHIXHVFJJHFG-UHFFFAOYSA-N -1 3 307.317 0.480 20 30 DCEDHM C#CCNC(=O)Cn1ccc(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000819702237 606176717 /nfs/dbraw/zinc/17/67/17/606176717.db2.gz UXOHIXHVFJJHFG-UHFFFAOYSA-N -1 3 307.317 0.480 20 30 DCEDHM CN(CC#N)[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC000821592583 606317253 /nfs/dbraw/zinc/31/72/53/606317253.db2.gz MDFBYTZLVVXAPK-VIFPVBQESA-N -1 3 303.351 0.489 20 30 DCEDHM CN(CC#N)[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC000821592583 606317252 /nfs/dbraw/zinc/31/72/52/606317252.db2.gz MDFBYTZLVVXAPK-VIFPVBQESA-N -1 3 303.351 0.489 20 30 DCEDHM C#CCNC(=O)[C@@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819702182 606564629 /nfs/dbraw/zinc/56/46/29/606564629.db2.gz RZLNBXBGGMFKOD-SSDOTTSWSA-N -1 3 305.319 0.223 20 30 DCEDHM C#CCNC(=O)[C@@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819702182 606564630 /nfs/dbraw/zinc/56/46/30/606564630.db2.gz 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323.272 0.857 20 30 DCEDHM N#Cc1ccn(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c(=O)c1 ZINC001581876697 1165896713 /nfs/dbraw/zinc/89/67/13/1165896713.db2.gz CFXZDZALAYVTHQ-UHFFFAOYSA-N -1 3 323.272 0.857 20 30 DCEDHM C=C(C)CCC(=O)NC[C@@H](O)CNC(=O)c1c(C)nc[n-]c1=O ZINC001583003504 1166171686 /nfs/dbraw/zinc/17/16/86/1166171686.db2.gz CIUCSRYDHBRFBF-LLVKDONJSA-N -1 3 322.365 0.054 20 30 DCEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](C)NC(=O)c1cn[n-]n1 ZINC001584233703 1166315796 /nfs/dbraw/zinc/31/57/96/1166315796.db2.gz NLXCYKDMWLTDGY-NHCYSSNCSA-N -1 3 307.354 0.020 20 30 DCEDHM C#C[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588326114 1166520129 /nfs/dbraw/zinc/52/01/29/1166520129.db2.gz DZLUYTDVPMTPNF-SSDOTTSWSA-N -1 3 311.754 0.820 20 30 DCEDHM C#C[C@@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588326114 1166520136 /nfs/dbraw/zinc/52/01/36/1166520136.db2.gz DZLUYTDVPMTPNF-SSDOTTSWSA-N -1 3 311.754 0.820 20 30 DCEDHM C#C[C@@H](C)N(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588325534 1166520898 /nfs/dbraw/zinc/52/08/98/1166520898.db2.gz OGPMFPLVTMJLBL-SNVBAGLBSA-N -1 3 312.333 0.077 20 30 DCEDHM C#C[C@@H](C)N(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588325534 1166520905 /nfs/dbraw/zinc/52/09/05/1166520905.db2.gz OGPMFPLVTMJLBL-SNVBAGLBSA-N -1 3 312.333 0.077 20 30 DCEDHM C#C[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001588326115 1166521381 /nfs/dbraw/zinc/52/13/81/1166521381.db2.gz DZLUYTDVPMTPNF-ZETCQYMHSA-N -1 3 311.754 0.820 20 30 DCEDHM C#C[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001588326115 1166521390 /nfs/dbraw/zinc/52/13/90/1166521390.db2.gz DZLUYTDVPMTPNF-ZETCQYMHSA-N -1 3 311.754 0.820 20 30 DCEDHM C#C[C@H](CC)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001588326866 1166522520 /nfs/dbraw/zinc/52/25/20/1166522520.db2.gz XDNRULGQABDAJF-LLVKDONJSA-N -1 3 323.353 0.837 20 30 DCEDHM C#C[C@H](CC)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001588326866 1166522523 /nfs/dbraw/zinc/52/25/23/1166522523.db2.gz XDNRULGQABDAJF-LLVKDONJSA-N -1 3 323.353 0.837 20 30 DCEDHM C#C[C@@H](CCC)NC(=O)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588327553 1166523908 /nfs/dbraw/zinc/52/39/08/1166523908.db2.gz LMUQCDSIQUBLAM-QMMMGPOBSA-N -1 3 318.362 0.785 20 30 DCEDHM C#C[C@@H](CCC)NC(=O)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588327553 1166523915 /nfs/dbraw/zinc/52/39/15/1166523915.db2.gz LMUQCDSIQUBLAM-QMMMGPOBSA-N -1 3 318.362 0.785 20 30 DCEDHM C#CC[C@H](CO)NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001588330627 1166527916 /nfs/dbraw/zinc/52/79/16/1166527916.db2.gz BOUAILPRXMZYQN-SECBINFHSA-N -1 3 304.285 0.512 20 30 DCEDHM C#CC[C@H](CO)NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001588330627 1166527923 /nfs/dbraw/zinc/52/79/23/1166527923.db2.gz BOUAILPRXMZYQN-SECBINFHSA-N -1 3 304.285 0.512 20 30 DCEDHM C#CCC[C@@H](O)CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588337366 1166532202 /nfs/dbraw/zinc/53/22/02/1166532202.db2.gz NWLVJYZFTPHXQY-SNVBAGLBSA-N -1 3 302.294 0.961 20 30 DCEDHM C#CCC[C@@H](O)CNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588337366 1166532208 /nfs/dbraw/zinc/53/22/08/1166532208.db2.gz NWLVJYZFTPHXQY-SNVBAGLBSA-N -1 3 302.294 0.961 20 30 DCEDHM C#CC[C@@H]1NC(=O)N([C@@H](C)c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588337441 1166532678 /nfs/dbraw/zinc/53/26/78/1166532678.db2.gz PSHFWSKQCOCJQG-CABZTGNLSA-N -1 3 310.317 0.871 20 30 DCEDHM C#CC[C@@H]1NC(=O)N([C@@H](C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588337441 1166532684 /nfs/dbraw/zinc/53/26/84/1166532684.db2.gz PSHFWSKQCOCJQG-CABZTGNLSA-N -1 3 310.317 0.871 20 30 DCEDHM C#CCC[C@H](O)CNC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588337249 1166533196 /nfs/dbraw/zinc/53/31/96/1166533196.db2.gz LOJOHBZTGQFEKL-ZDUSSCGKSA-N -1 3 313.361 0.988 20 30 DCEDHM C#CCC[C@H](O)CNC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588337249 1166533203 /nfs/dbraw/zinc/53/32/03/1166533203.db2.gz LOJOHBZTGQFEKL-ZDUSSCGKSA-N -1 3 313.361 0.988 20 30 DCEDHM C#CCCCNC(=O)C(=O)N1Cc2cccc(-c3nnn[n-]3)c2C1 ZINC001588345869 1166536115 /nfs/dbraw/zinc/53/61/15/1166536115.db2.gz OIHDBMAEYOUGRP-UHFFFAOYSA-N -1 3 324.344 0.239 20 30 DCEDHM C#CCCCNC(=O)C(=O)N1Cc2cccc(-c3nn[n-]n3)c2C1 ZINC001588345869 1166536122 /nfs/dbraw/zinc/53/61/22/1166536122.db2.gz OIHDBMAEYOUGRP-UHFFFAOYSA-N -1 3 324.344 0.239 20 30 DCEDHM C#CCC[C@@H](O)CNC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001588337611 1166536199 /nfs/dbraw/zinc/53/61/99/1166536199.db2.gz SYSXVFAIULWJEY-SECBINFHSA-N -1 3 321.287 0.649 20 30 DCEDHM C#CCC[C@@H](O)CNC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001588337611 1166536205 /nfs/dbraw/zinc/53/62/05/1166536205.db2.gz SYSXVFAIULWJEY-SECBINFHSA-N -1 3 321.287 0.649 20 30 DCEDHM C#CCSCC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1N ZINC001588363178 1166546993 /nfs/dbraw/zinc/54/69/93/1166546993.db2.gz OPUYDLKWFYFYPO-UHFFFAOYSA-N -1 3 306.326 0.893 20 30 DCEDHM C#CCSCC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1N ZINC001588363178 1166546999 /nfs/dbraw/zinc/54/69/99/1166546999.db2.gz OPUYDLKWFYFYPO-UHFFFAOYSA-N -1 3 306.326 0.893 20 30 DCEDHM C#CCOC(=O)[C@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588359078 1166547044 /nfs/dbraw/zinc/54/70/44/1166547044.db2.gz YFIYPCOORMHQNS-NSHDSACASA-N -1 3 311.301 0.396 20 30 DCEDHM C#CCOC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588359078 1166547051 /nfs/dbraw/zinc/54/70/51/1166547051.db2.gz YFIYPCOORMHQNS-NSHDSACASA-N -1 3 311.301 0.396 20 30 DCEDHM C#CCSCCNC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001588364215 1166549752 /nfs/dbraw/zinc/54/97/52/1166549752.db2.gz ZSHOTEAPPYCXCD-UHFFFAOYSA-N -1 3 302.363 0.666 20 30 DCEDHM C#CCSCCNC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001588364215 1166549755 /nfs/dbraw/zinc/54/97/55/1166549755.db2.gz ZSHOTEAPPYCXCD-UHFFFAOYSA-N -1 3 302.363 0.666 20 30 DCEDHM C=C(C)C[C@H](NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(=O)OCC ZINC001588406537 1166551723 /nfs/dbraw/zinc/55/17/23/1166551723.db2.gz VYBPDZAPDVRFJO-NSHDSACASA-N -1 3 318.337 0.823 20 30 DCEDHM C=C(C)C[C@H](NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(=O)OCC ZINC001588406537 1166551729 /nfs/dbraw/zinc/55/17/29/1166551729.db2.gz VYBPDZAPDVRFJO-NSHDSACASA-N -1 3 318.337 0.823 20 30 DCEDHM C=C(C)C[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588403973 1166552070 /nfs/dbraw/zinc/55/20/70/1166552070.db2.gz AUWKGLRTIJPHLT-LLVKDONJSA-N -1 3 317.349 0.932 20 30 DCEDHM C=C(C)C[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588403973 1166552079 /nfs/dbraw/zinc/55/20/79/1166552079.db2.gz AUWKGLRTIJPHLT-LLVKDONJSA-N -1 3 317.349 0.932 20 30 DCEDHM C=C[C@@](C)(O)CC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588501079 1166557738 /nfs/dbraw/zinc/55/77/38/1166557738.db2.gz JEWOPVXWTYCAAF-XJKSGUPXSA-N -1 3 313.361 0.777 20 30 DCEDHM C=C[C@@](C)(O)CC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588501079 1166557745 /nfs/dbraw/zinc/55/77/45/1166557745.db2.gz JEWOPVXWTYCAAF-XJKSGUPXSA-N -1 3 313.361 0.777 20 30 DCEDHM C=CC[C@H](NC(=O)c1cc(-c2nnn[n-]2)ccn1)C(=O)OCC ZINC001588549645 1166563288 /nfs/dbraw/zinc/56/32/88/1166563288.db2.gz SRMRDOICNPIQGG-JTQLQIEISA-N -1 3 316.321 0.499 20 30 DCEDHM C=CC[C@H](NC(=O)c1cc(-c2nn[n-]n2)ccn1)C(=O)OCC ZINC001588549645 1166563292 /nfs/dbraw/zinc/56/32/92/1166563292.db2.gz SRMRDOICNPIQGG-JTQLQIEISA-N -1 3 316.321 0.499 20 30 DCEDHM C=CCC[C@@H](CO)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588577906 1166564430 /nfs/dbraw/zinc/56/44/30/1166564430.db2.gz QTUWQGAWNYYJOF-ZDUSSCGKSA-N -1 3 316.365 0.993 20 30 DCEDHM C=CCC[C@@H](CO)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588577906 1166564436 /nfs/dbraw/zinc/56/44/36/1166564436.db2.gz QTUWQGAWNYYJOF-ZDUSSCGKSA-N -1 3 316.365 0.993 20 30 DCEDHM C=CCN(C)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001588626857 1166570777 /nfs/dbraw/zinc/57/07/77/1166570777.db2.gz SVMRONIWQMDDPU-UHFFFAOYSA-N -1 3 315.305 0.951 20 30 DCEDHM C=CCN(C)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001588626857 1166570785 /nfs/dbraw/zinc/57/07/85/1166570785.db2.gz SVMRONIWQMDDPU-UHFFFAOYSA-N -1 3 315.305 0.951 20 30 DCEDHM C=CCN1CC[C@H](N(C)c2cc(C)c(-c3nnn[n-]3)cn2)C1=O ZINC001588655175 1166573007 /nfs/dbraw/zinc/57/30/07/1166573007.db2.gz XPNKYWTWICUXFC-LBPRGKRZSA-N -1 3 313.365 0.793 20 30 DCEDHM C=CCN1CC[C@H](N(C)c2cc(C)c(-c3nn[n-]n3)cn2)C1=O ZINC001588655175 1166573012 /nfs/dbraw/zinc/57/30/12/1166573012.db2.gz XPNKYWTWICUXFC-LBPRGKRZSA-N -1 3 313.365 0.793 20 30 DCEDHM C=CCNC(=O)CNC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588659445 1166576827 /nfs/dbraw/zinc/57/68/27/1166576827.db2.gz LWMMGQGDCDBIOP-UHFFFAOYSA-N -1 3 319.300 0.430 20 30 DCEDHM C=CCNC(=O)CNC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588659445 1166576836 /nfs/dbraw/zinc/57/68/36/1166576836.db2.gz LWMMGQGDCDBIOP-UHFFFAOYSA-N -1 3 319.300 0.430 20 30 DCEDHM C=CCOC[C@@H]1NC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588681666 1166579858 /nfs/dbraw/zinc/57/98/58/1166579858.db2.gz PFRVBNFCRJGAGV-NSHDSACASA-N -1 3 314.305 0.494 20 30 DCEDHM C=CCOC[C@@H]1NC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588681666 1166579865 /nfs/dbraw/zinc/57/98/65/1166579865.db2.gz PFRVBNFCRJGAGV-NSHDSACASA-N -1 3 314.305 0.494 20 30 DCEDHM CC#CCN(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001588745698 1166584782 /nfs/dbraw/zinc/58/47/82/1166584782.db2.gz BHFDUGGIFXQPGF-UHFFFAOYSA-N -1 3 312.333 0.595 20 30 DCEDHM CC#CCN(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001588745698 1166584787 /nfs/dbraw/zinc/58/47/87/1166584787.db2.gz BHFDUGGIFXQPGF-UHFFFAOYSA-N -1 3 312.333 0.595 20 30 DCEDHM C[C@H](C#N)C(=O)N1CC[C@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588928681 1166619046 /nfs/dbraw/zinc/61/90/46/1166619046.db2.gz ZYROFBIJTSRMGE-KOLCDFICSA-N -1 3 312.337 0.434 20 30 DCEDHM C[C@H](C#N)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588928681 1166619050 /nfs/dbraw/zinc/61/90/50/1166619050.db2.gz ZYROFBIJTSRMGE-KOLCDFICSA-N -1 3 312.337 0.434 20 30 DCEDHM CC(C)S(=O)(=O)NN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001589759088 1166682748 /nfs/dbraw/zinc/68/27/48/1166682748.db2.gz DDVFOTHHJQJKLJ-UHFFFAOYSA-N -1 3 320.378 0.845 20 30 DCEDHM CC(C)S(=O)(=O)NN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001589759088 1166682752 /nfs/dbraw/zinc/68/27/52/1166682752.db2.gz DDVFOTHHJQJKLJ-UHFFFAOYSA-N -1 3 320.378 0.845 20 30 DCEDHM C[C@H](CC#N)NC[C@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001589786815 1166687252 /nfs/dbraw/zinc/68/72/52/1166687252.db2.gz DTXGWJJMGISMMQ-MNOVXSKESA-N -1 3 302.338 0.498 20 30 DCEDHM C[C@H](CC#N)NC[C@H](O)COc1ccccc1-c1nn[n-]n1 ZINC001589786815 1166687261 /nfs/dbraw/zinc/68/72/61/1166687261.db2.gz DTXGWJJMGISMMQ-MNOVXSKESA-N -1 3 302.338 0.498 20 30 DCEDHM C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589787266 1166688014 /nfs/dbraw/zinc/68/80/14/1166688014.db2.gz IPELJQGZQYMJKZ-ZETCQYMHSA-N -1 3 317.284 0.363 20 30 DCEDHM C[C@@H](CC#N)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589787266 1166688016 /nfs/dbraw/zinc/68/80/16/1166688016.db2.gz IPELJQGZQYMJKZ-ZETCQYMHSA-N -1 3 317.284 0.363 20 30 DCEDHM C[C@H](NCC#N)[C@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001589959444 1166729567 /nfs/dbraw/zinc/72/95/67/1166729567.db2.gz ZCPSOSPUBAYSHF-UWVGGRQHSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@H](NCC#N)[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001589959444 1166729574 /nfs/dbraw/zinc/72/95/74/1166729574.db2.gz ZCPSOSPUBAYSHF-UWVGGRQHSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCN1CC#N ZINC001590171063 1166798438 /nfs/dbraw/zinc/79/84/38/1166798438.db2.gz FWOJIHCPCXJSMX-UWVGGRQHSA-N -1 3 314.353 0.301 20 30 DCEDHM C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCN1CC#N ZINC001590171063 1166798446 /nfs/dbraw/zinc/79/84/46/1166798446.db2.gz FWOJIHCPCXJSMX-UWVGGRQHSA-N -1 3 314.353 0.301 20 30 DCEDHM CC[C@@](C)(C#N)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC001590371938 1166892786 /nfs/dbraw/zinc/89/27/86/1166892786.db2.gz MHDBVLFXCQJMFW-AWEZNQCLSA-N -1 3 314.353 0.730 20 30 DCEDHM CC[C@@](C)(C#N)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC001590371938 1166892788 /nfs/dbraw/zinc/89/27/88/1166892788.db2.gz MHDBVLFXCQJMFW-AWEZNQCLSA-N -1 3 314.353 0.730 20 30 DCEDHM CCO[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)cn2)[C@H]1OC ZINC001590819250 1167030387 /nfs/dbraw/zinc/03/03/87/1167030387.db2.gz IKTFGYATMDKFHE-ZYHUDNBSSA-N -1 3 303.326 0.853 20 30 DCEDHM CCO[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)cn2)[C@H]1OC ZINC001590819250 1167030395 /nfs/dbraw/zinc/03/03/95/1167030395.db2.gz IKTFGYATMDKFHE-ZYHUDNBSSA-N -1 3 303.326 0.853 20 30 DCEDHM CN(C)c1cc(Cn2c(N)nc(-c3nn[n-]n3)c2C#N)ccn1 ZINC001591028726 1167087343 /nfs/dbraw/zinc/08/73/43/1167087343.db2.gz HMQOQYRKOXVPFD-UHFFFAOYSA-N -1 3 310.325 0.026 20 30 DCEDHM COC(=O)[C@@H]1CCCC[C@@H]1Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001591253947 1167179086 /nfs/dbraw/zinc/17/90/86/1167179086.db2.gz GEWSEIRHWPGCRU-NXEZZACHSA-N -1 3 315.337 0.914 20 30 DCEDHM Cc1cc(C(=O)N2CC[C@](F)(C#N)C2)ncc1-c1nnn[n-]1 ZINC001591911377 1167415956 /nfs/dbraw/zinc/41/59/56/1167415956.db2.gz IPHYPFWHFOVHGJ-ZDUSSCGKSA-N -1 3 301.285 0.648 20 30 DCEDHM Cc1cc(C(=O)N2CC[C@](F)(C#N)C2)ncc1-c1nn[n-]n1 ZINC001591911377 1167415959 /nfs/dbraw/zinc/41/59/59/1167415959.db2.gz IPHYPFWHFOVHGJ-ZDUSSCGKSA-N -1 3 301.285 0.648 20 30 DCEDHM Cc1cccc(NC(=O)C(=O)N(C)CCC#N)c1-c1nnn[n-]1 ZINC001592234003 1167479152 /nfs/dbraw/zinc/47/91/52/1167479152.db2.gz VOLHLVIXCMGBAL-UHFFFAOYSA-N -1 3 313.321 0.486 20 30 DCEDHM Cc1cccc(NC(=O)C(=O)N(C)CCC#N)c1-c1nn[n-]n1 ZINC001592234003 1167479155 /nfs/dbraw/zinc/47/91/55/1167479155.db2.gz VOLHLVIXCMGBAL-UHFFFAOYSA-N -1 3 313.321 0.486 20 30 DCEDHM Cc1[nH]nc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1C#N ZINC001592330483 1167490776 /nfs/dbraw/zinc/49/07/76/1167490776.db2.gz OPYDHJIVXIFBOP-UHFFFAOYSA-N -1 3 308.305 0.951 20 30 DCEDHM Cc1[nH]nc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1C#N ZINC001592330483 1167490780 /nfs/dbraw/zinc/49/07/80/1167490780.db2.gz OPYDHJIVXIFBOP-UHFFFAOYSA-N -1 3 308.305 0.951 20 30 DCEDHM N#CC1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001592671173 1167595076 /nfs/dbraw/zinc/59/50/76/1167595076.db2.gz HKUXDQSDALOXQF-UHFFFAOYSA-N -1 3 324.753 0.855 20 30 DCEDHM N#CC1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001592671173 1167595082 /nfs/dbraw/zinc/59/50/82/1167595082.db2.gz HKUXDQSDALOXQF-UHFFFAOYSA-N -1 3 324.753 0.855 20 30 DCEDHM N#CCN(C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001592677992 1167598937 /nfs/dbraw/zinc/59/89/37/1167598937.db2.gz YZDDDEWCAFPNLS-CYBMUJFWSA-N -1 3 314.349 0.594 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC[C@H](CC(N)=O)C1 ZINC001592698636 1167601551 /nfs/dbraw/zinc/60/15/51/1167601551.db2.gz GHOOYHLOXLMRIT-SNVBAGLBSA-N -1 3 311.349 0.830 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC[C@H](CC(N)=O)C1 ZINC001592698636 1167601556 /nfs/dbraw/zinc/60/15/56/1167601556.db2.gz GHOOYHLOXLMRIT-SNVBAGLBSA-N -1 3 311.349 0.830 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@H](Cn2ccnn2)C1 ZINC001592698212 1167601778 /nfs/dbraw/zinc/60/17/78/1167601778.db2.gz OPSPDCNMPIIHOA-NSHDSACASA-N -1 3 321.348 0.856 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@H](Cn2ccnn2)C1 ZINC001592698212 1167601782 /nfs/dbraw/zinc/60/17/82/1167601782.db2.gz OPSPDCNMPIIHOA-NSHDSACASA-N -1 3 321.348 0.856 20 30 DCEDHM N#Cc1cc(C(=O)NCCNc2ccc(-c3nnn[n-]3)nc2)c[nH]1 ZINC001592687998 1167603112 /nfs/dbraw/zinc/60/31/12/1167603112.db2.gz RKCFRZSPCUITBE-UHFFFAOYSA-N -1 3 323.320 0.303 20 30 DCEDHM N#Cc1cc(C(=O)NCCNc2ccc(-c3nn[n-]n3)nc2)c[nH]1 ZINC001592687998 1167603115 /nfs/dbraw/zinc/60/31/15/1167603115.db2.gz RKCFRZSPCUITBE-UHFFFAOYSA-N -1 3 323.320 0.303 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCc1nnnn1CC1CC1 ZINC001592700021 1167604147 /nfs/dbraw/zinc/60/41/47/1167604147.db2.gz XEWWIXABHWLAFJ-UHFFFAOYSA-N -1 3 322.336 0.747 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCc1nnnn1CC1CC1 ZINC001592700021 1167604149 /nfs/dbraw/zinc/60/41/49/1167604149.db2.gz XEWWIXABHWLAFJ-UHFFFAOYSA-N -1 3 322.336 0.747 20 30 DCEDHM NC(=O)CNN=Cc1cccn1Cc1ccccc1-c1nnn[n-]1 ZINC001592727755 1167618627 /nfs/dbraw/zinc/61/86/27/1167618627.db2.gz UVNTXXPXJKJARF-UHFFFAOYSA-N -1 3 324.348 0.125 20 30 DCEDHM NC(=O)CNN=Cc1cccn1Cc1ccccc1-c1nn[n-]n1 ZINC001592727755 1167618630 /nfs/dbraw/zinc/61/86/30/1167618630.db2.gz UVNTXXPXJKJARF-UHFFFAOYSA-N -1 3 324.348 0.125 20 30 DCEDHM O=S1(=O)CCC[C@H](NN=Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001593464190 1167853572 /nfs/dbraw/zinc/85/35/72/1167853572.db2.gz ZPAWOMLYVGUEOG-LBPRGKRZSA-N -1 3 320.378 0.367 20 30 DCEDHM O=S1(=O)CCC[C@H](NN=Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001593464190 1167853583 /nfs/dbraw/zinc/85/35/83/1167853583.db2.gz ZPAWOMLYVGUEOG-LBPRGKRZSA-N -1 3 320.378 0.367 20 30 DCEDHM N#CCCCC[C@@H](N)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001601064891 1168579795 /nfs/dbraw/zinc/57/97/95/1168579795.db2.gz NXRRKNYPGAOYDW-CYBMUJFWSA-N -1 3 311.382 0.880 20 30 DCEDHM N#Cc1ccc2ncc(CNCCC(=O)NCCC(=O)[O-])n2c1 ZINC001601115880 1168587800 /nfs/dbraw/zinc/58/78/00/1168587800.db2.gz DGTNZMVHPHDWOO-UHFFFAOYSA-N -1 3 315.333 0.277 20 30 DCEDHM C#C[C@H]1CCCCN1C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602691054 1169161788 /nfs/dbraw/zinc/16/17/88/1169161788.db2.gz QUKLZODAPOXYDV-KBPBESRZSA-N -1 3 311.345 0.914 20 30 DCEDHM C#C[C@H]1CCCCN1C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602691054 1169161792 /nfs/dbraw/zinc/16/17/92/1169161792.db2.gz QUKLZODAPOXYDV-KBPBESRZSA-N -1 3 311.345 0.914 20 30 DCEDHM C#C[C@@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001602696218 1169162520 /nfs/dbraw/zinc/16/25/20/1169162520.db2.gz FSOWVRGNQIEASN-SNVBAGLBSA-N -1 3 317.736 0.994 20 30 DCEDHM C#C[C@@H]1COCCN1C(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001602696218 1169162529 /nfs/dbraw/zinc/16/25/29/1169162529.db2.gz FSOWVRGNQIEASN-SNVBAGLBSA-N -1 3 317.736 0.994 20 30 DCEDHM C#CCN(C(C)C)S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001602716606 1169168411 /nfs/dbraw/zinc/16/84/11/1169168411.db2.gz JCELLEGBQSZYEY-UHFFFAOYSA-N -1 3 306.351 0.294 20 30 DCEDHM C#CCN(C(C)C)S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001602716606 1169168421 /nfs/dbraw/zinc/16/84/21/1169168421.db2.gz JCELLEGBQSZYEY-UHFFFAOYSA-N -1 3 306.351 0.294 20 30 DCEDHM C#CCN(CC#N)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001602720581 1169170070 /nfs/dbraw/zinc/17/00/70/1169170070.db2.gz XZALINCUZMIWJK-UHFFFAOYSA-N -1 3 320.309 0.153 20 30 DCEDHM C#CCN(CC#C)[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001602720343 1169171149 /nfs/dbraw/zinc/17/11/49/1169171149.db2.gz VQVBKBCRCDWMDE-AWEZNQCLSA-N -1 3 309.329 0.649 20 30 DCEDHM C#CCN(CC#C)[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001602720343 1169171153 /nfs/dbraw/zinc/17/11/53/1169171153.db2.gz VQVBKBCRCDWMDE-AWEZNQCLSA-N -1 3 309.329 0.649 20 30 DCEDHM C#CCNC(=O)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC001602722181 1169171654 /nfs/dbraw/zinc/17/16/54/1169171654.db2.gz FMISCWVDDYOXMY-BQYQJAHWSA-N -1 3 311.301 0.173 20 30 DCEDHM C#CCNC(=O)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC001602722181 1169171656 /nfs/dbraw/zinc/17/16/56/1169171656.db2.gz FMISCWVDDYOXMY-BQYQJAHWSA-N -1 3 311.301 0.173 20 30 DCEDHM C#CCN1CCC(NC(=O)c2ccnc(-c3nnn[n-]3)c2)CC1 ZINC001602721779 1169172654 /nfs/dbraw/zinc/17/26/54/1169172654.db2.gz WECQSOFLLAXMLP-UHFFFAOYSA-N -1 3 311.349 0.089 20 30 DCEDHM C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC001602744551 1169178066 /nfs/dbraw/zinc/17/80/66/1169178066.db2.gz FLLXKKJQNSSILJ-KYXWUPHJSA-N -1 3 317.183 0.853 20 30 DCEDHM C=C[C@](C)(O)C(=O)N(C)CCc1cccc(-c2nnn[n-]2)c1 ZINC001602796171 1169185044 /nfs/dbraw/zinc/18/50/44/1169185044.db2.gz ZWJVLSPKXYXNCS-HNNXBMFYSA-N -1 3 301.350 0.805 20 30 DCEDHM C=C[C@](C)(O)C(=O)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001602796171 1169185047 /nfs/dbraw/zinc/18/50/47/1169185047.db2.gz ZWJVLSPKXYXNCS-HNNXBMFYSA-N -1 3 301.350 0.805 20 30 DCEDHM C=CC[C@@H](CO)CNC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001602815902 1169185785 /nfs/dbraw/zinc/18/57/85/1169185785.db2.gz DVDLATBXZKLGLP-SNVBAGLBSA-N -1 3 302.338 0.485 20 30 DCEDHM C=CC[C@@H](CO)CNC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001602815902 1169185789 /nfs/dbraw/zinc/18/57/89/1169185789.db2.gz DVDLATBXZKLGLP-SNVBAGLBSA-N -1 3 302.338 0.485 20 30 DCEDHM C=CC[C@H](CO)NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602815846 1169186669 /nfs/dbraw/zinc/18/66/69/1169186669.db2.gz CFTKPGWPFGEBID-GFCCVEGCSA-N -1 3 323.378 0.223 20 30 DCEDHM C=CC[C@H](CO)NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602815846 1169186673 /nfs/dbraw/zinc/18/66/73/1169186673.db2.gz CFTKPGWPFGEBID-GFCCVEGCSA-N -1 3 323.378 0.223 20 30 DCEDHM C=CCNC(=O)CNc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001602862320 1169194664 /nfs/dbraw/zinc/19/46/64/1169194664.db2.gz BBWZTXHWGXRSFG-UHFFFAOYSA-N -1 3 318.297 0.071 20 30 DCEDHM C=CCNC(=O)CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001602862320 1169194668 /nfs/dbraw/zinc/19/46/68/1169194668.db2.gz BBWZTXHWGXRSFG-UHFFFAOYSA-N -1 3 318.297 0.071 20 30 DCEDHM C=CCNC(=O)NC(=O)CSc1ccc(-c2nnn[n-]2)cn1 ZINC001602864039 1169195695 /nfs/dbraw/zinc/19/56/95/1169195695.db2.gz UEXUQECUFVFNPV-UHFFFAOYSA-N -1 3 319.350 0.366 20 30 DCEDHM C=CCNC(=O)NC(=O)CSc1ccc(-c2nn[n-]n2)cn1 ZINC001602864039 1169195702 /nfs/dbraw/zinc/19/57/02/1169195702.db2.gz UEXUQECUFVFNPV-UHFFFAOYSA-N -1 3 319.350 0.366 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001602888007 1169199312 /nfs/dbraw/zinc/19/93/12/1169199312.db2.gz GSQOTNXYQMLIAM-CABZTGNLSA-N -1 3 302.338 0.824 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001602888007 1169199320 /nfs/dbraw/zinc/19/93/20/1169199320.db2.gz GSQOTNXYQMLIAM-CABZTGNLSA-N -1 3 302.338 0.824 20 30 DCEDHM C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001602983353 1169223117 /nfs/dbraw/zinc/22/31/17/1169223117.db2.gz HVHBQSKUMOYHOO-SECBINFHSA-N -1 3 313.321 0.423 20 30 DCEDHM C[C@H](C#N)CN(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001602983353 1169223124 /nfs/dbraw/zinc/22/31/24/1169223124.db2.gz HVHBQSKUMOYHOO-SECBINFHSA-N -1 3 313.321 0.423 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001602983716 1169224875 /nfs/dbraw/zinc/22/48/75/1169224875.db2.gz MRVMIOXZBKYYDX-BDAKNGLRSA-N -1 3 300.326 0.338 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001602983716 1169224883 /nfs/dbraw/zinc/22/48/83/1169224883.db2.gz MRVMIOXZBKYYDX-BDAKNGLRSA-N -1 3 300.326 0.338 20 30 DCEDHM C[C@H](CNC(=O)[C@@H](C)C#N)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001603520647 1169316961 /nfs/dbraw/zinc/31/69/61/1169316961.db2.gz IEXJJLNKDCEFAK-UWVGGRQHSA-N -1 3 314.353 0.586 20 30 DCEDHM C[C@H](CNC(=O)[C@@H](C)C#N)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001603520647 1169316965 /nfs/dbraw/zinc/31/69/65/1169316965.db2.gz IEXJJLNKDCEFAK-UWVGGRQHSA-N -1 3 314.353 0.586 20 30 DCEDHM CCOC(=O)CCCCn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001604373588 1169572695 /nfs/dbraw/zinc/57/26/95/1169572695.db2.gz DKBJIFZYULHRMW-UHFFFAOYSA-N -1 3 303.326 0.977 20 30 DCEDHM CCOC(=O)CCCCn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001604373588 1169572698 /nfs/dbraw/zinc/57/26/98/1169572698.db2.gz DKBJIFZYULHRMW-UHFFFAOYSA-N -1 3 303.326 0.977 20 30 DCEDHM CC[C@@H](C#N)NS(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001604484441 1169601604 /nfs/dbraw/zinc/60/16/04/1169601604.db2.gz UUIDTAPGFWMYHL-QMMMGPOBSA-N -1 3 307.339 0.151 20 30 DCEDHM CC[C@@H](C#N)NS(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001604484441 1169601610 /nfs/dbraw/zinc/60/16/10/1169601610.db2.gz UUIDTAPGFWMYHL-QMMMGPOBSA-N -1 3 307.339 0.151 20 30 DCEDHM COCCN(CCC#N)C(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001605095813 1169823884 /nfs/dbraw/zinc/82/38/84/1169823884.db2.gz BYZULVMQTVXWNR-UHFFFAOYSA-N -1 3 303.326 0.506 20 30 DCEDHM COCCN(CCC#N)C(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001605095813 1169823898 /nfs/dbraw/zinc/82/38/98/1169823898.db2.gz BYZULVMQTVXWNR-UHFFFAOYSA-N -1 3 303.326 0.506 20 30 DCEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001605535807 1169952509 /nfs/dbraw/zinc/95/25/09/1169952509.db2.gz VIPFNZIHLAGFBA-HNNXBMFYSA-N -1 3 312.333 0.666 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001605535807 1169952516 /nfs/dbraw/zinc/95/25/16/1169952516.db2.gz VIPFNZIHLAGFBA-HNNXBMFYSA-N -1 3 312.333 0.666 20 30 DCEDHM Cc1[nH]nc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC001606013904 1170049616 /nfs/dbraw/zinc/04/96/16/1170049616.db2.gz ZEJRHCLUGZAVTJ-NSHDSACASA-N -1 3 324.304 0.442 20 30 DCEDHM N#C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001606344929 1170162987 /nfs/dbraw/zinc/16/29/87/1170162987.db2.gz CBQZRBPHPTZFLY-SECBINFHSA-N -1 3 319.350 0.186 20 30 DCEDHM N#C[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001606344929 1170162990 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N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCc1nncs1 ZINC001581863287 1165895387 /nfs/dbraw/zinc/89/53/87/1165895387.db2.gz GRMRBOGDQKHSJF-UHFFFAOYSA-N -1 3 317.363 0.859 20 30 DCEDHM N#Cc1ccn(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(=O)c1 ZINC001581876937 1165895985 /nfs/dbraw/zinc/89/59/85/1165895985.db2.gz LUVNPARUADSUQU-UHFFFAOYSA-N -1 3 321.300 0.539 20 30 DCEDHM N#Cc1ccn(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(=O)c1 ZINC001581876937 1165895992 /nfs/dbraw/zinc/89/59/92/1165895992.db2.gz LUVNPARUADSUQU-UHFFFAOYSA-N -1 3 321.300 0.539 20 30 DCEDHM N#Cc1ccc(NC(=O)[C@@]2(C#N)CCCOC2)cc1-c1nnn[n-]1 ZINC001581872951 1165897217 /nfs/dbraw/zinc/89/72/17/1165897217.db2.gz NIROZLZVSUDHLC-OAHLLOKOSA-N -1 3 323.316 0.997 20 30 DCEDHM N#Cc1ccc(NC(=O)[C@@]2(C#N)CCCOC2)cc1-c1nn[n-]n1 ZINC001581872951 1165897224 /nfs/dbraw/zinc/89/72/24/1165897224.db2.gz NIROZLZVSUDHLC-OAHLLOKOSA-N -1 3 323.316 0.997 20 30 DCEDHM N#Cc1cccc(NC2CN(c3ncncc3-c3nnn[n-]3)C2)c1 ZINC001581875938 1165897755 /nfs/dbraw/zinc/89/77/55/1165897755.db2.gz XZYQMJDUBFUCDS-UHFFFAOYSA-N -1 3 319.332 0.829 20 30 DCEDHM N#Cc1ncn(CCCC(=O)N2CCCCC2)c1-c1nnn[n-]1 ZINC001581885979 1165904185 /nfs/dbraw/zinc/90/41/85/1165904185.db2.gz TZJFRXMMGCBSTA-UHFFFAOYSA-N -1 3 314.353 0.728 20 30 DCEDHM O=C(C#CC1CC1)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001581912447 1165912326 /nfs/dbraw/zinc/91/23/26/1165912326.db2.gz MEFHPMZYKNMUMO-UHFFFAOYSA-N -1 3 320.316 0.799 20 30 DCEDHM O=C(C#CC1CC1)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001581912447 1165912331 /nfs/dbraw/zinc/91/23/31/1165912331.db2.gz MEFHPMZYKNMUMO-UHFFFAOYSA-N -1 3 320.316 0.799 20 30 DCEDHM C#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)C1CCOCC1 ZINC001588330274 1166527340 /nfs/dbraw/zinc/52/73/40/1166527340.db2.gz YLPCAITWSGGFAW-LBPRGKRZSA-N -1 3 314.349 0.363 20 30 DCEDHM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)C1CCOCC1 ZINC001588330274 1166527343 /nfs/dbraw/zinc/52/73/43/1166527343.db2.gz YLPCAITWSGGFAW-LBPRGKRZSA-N -1 3 314.349 0.363 20 30 DCEDHM C#CC1(O)CN(C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC001588333065 1166528529 /nfs/dbraw/zinc/52/85/29/1166528529.db2.gz CIIZAHISMZRVFY-UHFFFAOYSA-N -1 3 302.269 0.218 20 30 DCEDHM C#CC1(O)CN(C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC001588333065 1166528532 /nfs/dbraw/zinc/52/85/32/1166528532.db2.gz CIIZAHISMZRVFY-UHFFFAOYSA-N -1 3 302.269 0.218 20 30 DCEDHM C#CC[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588331105 1166528777 /nfs/dbraw/zinc/52/87/77/1166528777.db2.gz KFKZSBKSTCZARL-VIFPVBQESA-N -1 3 302.294 0.879 20 30 DCEDHM C#CC[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588331105 1166528782 /nfs/dbraw/zinc/52/87/82/1166528782.db2.gz KFKZSBKSTCZARL-VIFPVBQESA-N -1 3 302.294 0.879 20 30 DCEDHM C#CC[C@H](COC)N[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588334216 1166532551 /nfs/dbraw/zinc/53/25/51/1166532551.db2.gz QWSXQEPQPBVBTG-OLZOCXBDSA-N -1 3 314.349 0.021 20 30 DCEDHM C#CCC[C@H](O)CNC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588337957 1166534664 /nfs/dbraw/zinc/53/46/64/1166534664.db2.gz ZGRRNRPXSYTNGP-JTQLQIEISA-N -1 3 315.337 0.466 20 30 DCEDHM C#CCC[C@H](O)CNC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588337957 1166534666 /nfs/dbraw/zinc/53/46/66/1166534666.db2.gz ZGRRNRPXSYTNGP-JTQLQIEISA-N -1 3 315.337 0.466 20 30 DCEDHM C#CCCCC(=O)NC[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588339067 1166534752 /nfs/dbraw/zinc/53/47/52/1166534752.db2.gz UXJAVZNJHWDTAD-LLVKDONJSA-N -1 3 313.365 0.982 20 30 DCEDHM C#CCCCC(=O)NC[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588339067 1166534758 /nfs/dbraw/zinc/53/47/58/1166534758.db2.gz UXJAVZNJHWDTAD-LLVKDONJSA-N -1 3 313.365 0.982 20 30 DCEDHM C#CCCCNS(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001588345384 1166535782 /nfs/dbraw/zinc/53/57/82/1166535782.db2.gz CGDOCMYKOBYGSN-UHFFFAOYSA-N -1 3 306.351 0.262 20 30 DCEDHM C#CCCCNS(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001588345384 1166535789 /nfs/dbraw/zinc/53/57/89/1166535789.db2.gz CGDOCMYKOBYGSN-UHFFFAOYSA-N -1 3 306.351 0.262 20 30 DCEDHM C#CCCNC(=O)[C@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588346841 1166538280 /nfs/dbraw/zinc/53/82/80/1166538280.db2.gz GNKKSLGISYQLST-LBPRGKRZSA-N -1 3 324.344 0.359 20 30 DCEDHM C#CCCNC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588346841 1166538285 /nfs/dbraw/zinc/53/82/85/1166538285.db2.gz GNKKSLGISYQLST-LBPRGKRZSA-N -1 3 324.344 0.359 20 30 DCEDHM C#CCN(CC#N)C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588350088 1166541901 /nfs/dbraw/zinc/54/19/01/1166541901.db2.gz BMSCWFSFRGMLIH-UHFFFAOYSA-N -1 3 306.329 0.884 20 30 DCEDHM C#CCN(CC#N)C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588350088 1166541904 /nfs/dbraw/zinc/54/19/04/1166541904.db2.gz BMSCWFSFRGMLIH-UHFFFAOYSA-N -1 3 306.329 0.884 20 30 DCEDHM C#CCN(C)c1nnc([C@H](O)c2ccc(-c3nnn[n-]3)cc2)n1C ZINC001588349848 1166542044 /nfs/dbraw/zinc/54/20/44/1166542044.db2.gz OMJHYWVIGBSHFT-GFCCVEGCSA-N -1 3 324.348 0.146 20 30 DCEDHM C#CCN(C)c1nnc([C@H](O)c2ccc(-c3nn[n-]n3)cc2)n1C ZINC001588349848 1166542053 /nfs/dbraw/zinc/54/20/53/1166542053.db2.gz OMJHYWVIGBSHFT-GFCCVEGCSA-N -1 3 324.348 0.146 20 30 DCEDHM C=CC[C@@H]1NC(=O)N(CCc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001588564146 1166562753 /nfs/dbraw/zinc/56/27/53/1166562753.db2.gz IWVICHHJWCOELO-LBPRGKRZSA-N -1 3 312.333 0.906 20 30 DCEDHM C=CC[C@@H]1NC(=O)N(CCc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588564146 1166562758 /nfs/dbraw/zinc/56/27/58/1166562758.db2.gz IWVICHHJWCOELO-LBPRGKRZSA-N -1 3 312.333 0.906 20 30 DCEDHM C=CCN(C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cn1)C1CC1 ZINC001588625751 1166570164 /nfs/dbraw/zinc/57/01/64/1166570164.db2.gz PCYCTOGSWREQGF-UHFFFAOYSA-N -1 3 313.321 0.377 20 30 DCEDHM C=CCN(C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cn1)C1CC1 ZINC001588625751 1166570172 /nfs/dbraw/zinc/57/01/72/1166570172.db2.gz PCYCTOGSWREQGF-UHFFFAOYSA-N -1 3 313.321 0.377 20 30 DCEDHM C=CCN(CCS(C)(=O)=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588632368 1166573080 /nfs/dbraw/zinc/57/30/80/1166573080.db2.gz QKKZUJKOQSBLJZ-UHFFFAOYSA-N -1 3 321.406 0.899 20 30 DCEDHM C=CCN(CCS(C)(=O)=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588632368 1166573082 /nfs/dbraw/zinc/57/30/82/1166573082.db2.gz QKKZUJKOQSBLJZ-UHFFFAOYSA-N -1 3 321.406 0.899 20 30 DCEDHM C=CCNC(=O)[C@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588659550 1166575314 /nfs/dbraw/zinc/57/53/14/1166575314.db2.gz OMKZOIMRKSSPPO-NSHDSACASA-N -1 3 312.333 0.522 20 30 DCEDHM C=CCNC(=O)[C@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588659550 1166575318 /nfs/dbraw/zinc/57/53/18/1166575318.db2.gz OMKZOIMRKSSPPO-NSHDSACASA-N -1 3 312.333 0.522 20 30 DCEDHM C=CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001588665068 1166578622 /nfs/dbraw/zinc/57/86/22/1166578622.db2.gz DHEDWIMXTWAGGL-JTQLQIEISA-N -1 3 317.309 0.951 20 30 DCEDHM C=CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001588665068 1166578629 /nfs/dbraw/zinc/57/86/29/1166578629.db2.gz DHEDWIMXTWAGGL-JTQLQIEISA-N -1 3 317.309 0.951 20 30 DCEDHM C=CCS(=O)(=O)CCNCc1csc(-c2nnn[n-]2)c1 ZINC001588688413 1166581839 /nfs/dbraw/zinc/58/18/39/1166581839.db2.gz GMKBTEVNDDYVTE-UHFFFAOYSA-N -1 3 313.408 0.619 20 30 DCEDHM CC(=O)C(C)=NOCC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588781719 1166590898 /nfs/dbraw/zinc/59/08/98/1166590898.db2.gz JWRHLGHFOOVTCJ-UHFFFAOYSA-N -1 3 316.321 0.464 20 30 DCEDHM CC(=O)C(C)=NOCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588781719 1166590903 /nfs/dbraw/zinc/59/09/03/1166590903.db2.gz JWRHLGHFOOVTCJ-UHFFFAOYSA-N -1 3 316.321 0.464 20 30 DCEDHM CC(=O)NCCCSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001588862763 1166611514 /nfs/dbraw/zinc/61/15/14/1166611514.db2.gz XMRSFUASOSPUGM-UHFFFAOYSA-N -1 3 318.366 0.334 20 30 DCEDHM CC(=O)NCCCSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001588862763 1166611517 /nfs/dbraw/zinc/61/15/17/1166611517.db2.gz XMRSFUASOSPUGM-UHFFFAOYSA-N -1 3 318.366 0.334 20 30 DCEDHM CC(=O)c1cccc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)c1 ZINC001588920514 1166615771 /nfs/dbraw/zinc/61/57/71/1166615771.db2.gz PBWQAVWNBSSGIJ-UHFFFAOYSA-N -1 3 308.305 0.768 20 30 DCEDHM CC(=O)c1cccc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)c1 ZINC001588920514 1166615774 /nfs/dbraw/zinc/61/57/74/1166615774.db2.gz PBWQAVWNBSSGIJ-UHFFFAOYSA-N -1 3 308.305 0.768 20 30 DCEDHM C[C@H](C#N)CN(C)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588930762 1166620033 /nfs/dbraw/zinc/62/00/33/1166620033.db2.gz KLGFRFDYUXGJQH-DGCLKSJQSA-N -1 3 316.365 0.698 20 30 DCEDHM CC(C)(C)[C@@H](C#N)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589085727 1166632529 /nfs/dbraw/zinc/63/25/29/1166632529.db2.gz FPBLHRIJOYRAAP-SNVBAGLBSA-N -1 3 321.366 0.478 20 30 DCEDHM CC(C)(C)[C@@H](C#N)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589085727 1166632537 /nfs/dbraw/zinc/63/25/37/1166632537.db2.gz FPBLHRIJOYRAAP-SNVBAGLBSA-N -1 3 321.366 0.478 20 30 DCEDHM C[C@@H](CN1CCOCC1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589848344 1166698343 /nfs/dbraw/zinc/69/83/43/1166698343.db2.gz QVQQTOKVDHJIRR-NSHDSACASA-N -1 3 313.365 0.871 20 30 DCEDHM C[C@@H](CN1CCOCC1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589848344 1166698348 /nfs/dbraw/zinc/69/83/48/1166698348.db2.gz QVQQTOKVDHJIRR-NSHDSACASA-N -1 3 313.365 0.871 20 30 DCEDHM C[C@H](NCC#N)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001589955839 1166729722 /nfs/dbraw/zinc/72/97/22/1166729722.db2.gz NADRCVCMABOXBF-VHSXEESVSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@H](NCC#N)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001589955839 1166729731 /nfs/dbraw/zinc/72/97/31/1166729731.db2.gz NADRCVCMABOXBF-VHSXEESVSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@]1(C#N)CN(c2cc(-c3nnn[n-]3)ccc2[N+](=O)[O-])CCO1 ZINC001590056194 1166760936 /nfs/dbraw/zinc/76/09/36/1166760936.db2.gz AWQHZGRWAHJSOV-ZDUSSCGKSA-N -1 3 315.293 0.894 20 30 DCEDHM C[C@]1(C#N)CN(c2cc(-c3nn[n-]n3)ccc2[N+](=O)[O-])CCO1 ZINC001590056194 1166760941 /nfs/dbraw/zinc/76/09/41/1166760941.db2.gz AWQHZGRWAHJSOV-ZDUSSCGKSA-N -1 3 315.293 0.894 20 30 DCEDHM CC[C@H](C#N)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590368177 1166889858 /nfs/dbraw/zinc/88/98/58/1166889858.db2.gz ZJJYNZQHYNAZHU-MRVPVSSYSA-N -1 3 324.341 0.928 20 30 DCEDHM COC(=O)[C@@H](c1cccc(-c2nnn[n-]2)c1)N1CC(C)(C#N)C1 ZINC001591242173 1167173204 /nfs/dbraw/zinc/17/32/04/1167173204.db2.gz QFFAHZFXRMFGML-GFCCVEGCSA-N -1 3 312.333 0.926 20 30 DCEDHM COC(=O)[C@@H](c1cccc(-c2nn[n-]n2)c1)N1CC(C)(C#N)C1 ZINC001591242173 1167173212 /nfs/dbraw/zinc/17/32/12/1167173212.db2.gz QFFAHZFXRMFGML-GFCCVEGCSA-N -1 3 312.333 0.926 20 30 DCEDHM COC(=O)c1cncc(Cn2cnc(C#N)c2-c2nnn[n-]2)c1 ZINC001591305076 1167206661 /nfs/dbraw/zinc/20/66/61/1167206661.db2.gz CKWZLYRIVKCDEZ-UHFFFAOYSA-N -1 3 310.277 0.165 20 30 DCEDHM COC[C@@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001591367622 1167240091 /nfs/dbraw/zinc/24/00/91/1167240091.db2.gz BMMBDVSASOGDNZ-GFCCVEGCSA-N -1 3 321.728 0.574 20 30 DCEDHM COc1ccc2c(c1)C[C@H](Cn1cnc(C#N)c1-c1nnn[n-]1)O2 ZINC001591625944 1167341428 /nfs/dbraw/zinc/34/14/28/1167341428.db2.gz DOAMRPJPXUWIIQ-LLVKDONJSA-N -1 3 323.316 0.947 20 30 DCEDHM CS(C)(=O)=NC(=O)[C@@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591684217 1167352828 /nfs/dbraw/zinc/35/28/28/1167352828.db2.gz PPANSVQGCZMEKC-LLVKDONJSA-N -1 3 318.362 0.803 20 30 DCEDHM CS(C)(=O)=NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591684217 1167352830 /nfs/dbraw/zinc/35/28/30/1167352830.db2.gz PPANSVQGCZMEKC-LLVKDONJSA-N -1 3 318.362 0.803 20 30 DCEDHM CSC[C@@](C)(C#N)NC(=O)c1ncc(-c2nnn[n-]2)cc1C ZINC001591691821 1167356660 /nfs/dbraw/zinc/35/66/60/1167356660.db2.gz PIADFNNMMLNEOC-CYBMUJFWSA-N -1 3 317.378 0.945 20 30 DCEDHM CSC[C@@](C)(C#N)NC(=O)c1ncc(-c2nn[n-]n2)cc1C ZINC001591691821 1167356672 /nfs/dbraw/zinc/35/66/72/1167356672.db2.gz PIADFNNMMLNEOC-CYBMUJFWSA-N -1 3 317.378 0.945 20 30 DCEDHM Cc1[nH]c(-c2nnn[n-]2)cc1C(=O)OC1CCN(CC#N)CC1 ZINC001591786269 1167381604 /nfs/dbraw/zinc/38/16/04/1167381604.db2.gz VEECHBRRTFBSEE-UHFFFAOYSA-N -1 3 315.337 0.648 20 30 DCEDHM Cc1[nH]c(-c2nn[n-]n2)cc1C(=O)OC1CCN(CC#N)CC1 ZINC001591786269 1167381607 /nfs/dbraw/zinc/38/16/07/1167381607.db2.gz VEECHBRRTFBSEE-UHFFFAOYSA-N -1 3 315.337 0.648 20 30 DCEDHM Cc1cc(C(=O)n2ncc(C#N)c2N)cc(C)c1-c1nnn[n-]1 ZINC001591939013 1167423633 /nfs/dbraw/zinc/42/36/33/1167423633.db2.gz DNRLPHMMQWJVJT-UHFFFAOYSA-N -1 3 308.305 0.822 20 30 DCEDHM 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0.262 20 30 DCEDHM C=CCC[C@@H](CO)NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602833513 1169190766 /nfs/dbraw/zinc/19/07/66/1169190766.db2.gz ORDCXIIZUUXTES-ZDUSSCGKSA-N -1 3 301.350 0.853 20 30 DCEDHM C=CCC[C@@H](CO)NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602833513 1169190773 /nfs/dbraw/zinc/19/07/73/1169190773.db2.gz ORDCXIIZUUXTES-ZDUSSCGKSA-N -1 3 301.350 0.853 20 30 DCEDHM C=CCN(C)C(=O)C(=O)NCc1ccc(C)c(-c2nnn[n-]2)c1 ZINC001602847023 1169192385 /nfs/dbraw/zinc/19/23/85/1169192385.db2.gz FTFWIUAKJHTEAY-UHFFFAOYSA-N -1 3 314.349 0.436 20 30 DCEDHM C=CCN(C)C(=O)C(=O)NCc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001602847023 1169192388 /nfs/dbraw/zinc/19/23/88/1169192388.db2.gz FTFWIUAKJHTEAY-UHFFFAOYSA-N -1 3 314.349 0.436 20 30 DCEDHM C=CCOC[C@H](NCc1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC001602872348 1169196980 /nfs/dbraw/zinc/19/69/80/1169196980.db2.gz YKAMKEVLDGPRQL-ZDUSSCGKSA-N -1 3 317.349 0.701 20 30 DCEDHM C=CCOC[C@H](NCc1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC001602872348 1169196983 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313.321 0.019 20 30 DCEDHM C[C@H]1CN([O-])C(=O)[C@H]1Nc1ccc2nc(C(N)=O)ccc2c1 ZINC001171369690 768139815 /nfs/dbraw/zinc/13/98/15/768139815.db2.gz PJNILDXQQVHZGB-SDBXPKJASA-N -1 3 300.318 0.982 20 30 DCEDHM COc1ccc(-c2nn[nH]n2)cc1N[C@@H]1C(=O)N([O-])C[C@@H]1C ZINC001171369134 768146332 /nfs/dbraw/zinc/14/63/32/768146332.db2.gz PVSIHWVCMUTFFO-CPCISQLKSA-N -1 3 304.310 0.523 20 30 DCEDHM COC(=O)c1c[nH]c2ncc(N[C@@H]3C(=O)N([O-])C[C@@H]3C)nc12 ZINC001171369728 768146456 /nfs/dbraw/zinc/14/64/56/768146456.db2.gz ZASJYWQUQIVDSU-RCOVLWMOSA-N -1 3 305.294 0.393 20 30 DCEDHM C[C@H](C[C@H](C)NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)NCC#N ZINC001135967834 766189773 /nfs/dbraw/zinc/18/97/73/766189773.db2.gz ZBALLKUHQCUOSX-ZJUUUORDSA-N -1 3 314.345 0.580 20 30 DCEDHM C#CCCCC(=O)NC1CC2(CC(NCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001121026844 767361380 /nfs/dbraw/zinc/36/13/80/767361380.db2.gz QKPIXGCETCBPSU-UHFFFAOYSA-N -1 3 317.393 0.831 20 30 DCEDHM C=CCn1c(CCc2nnn[n-]2)nnc1N(C)CCOCC ZINC001121601949 767601386 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N#Cc1c[nH]c(C(=O)NCCNc2cc[n-]c(=O)c2[N+](=O)[O-])c1 ZINC001093564611 768624836 /nfs/dbraw/zinc/62/48/36/768624836.db2.gz NTJFDNSQJUZCPA-UHFFFAOYSA-N -1 3 316.277 0.737 20 30 DCEDHM C=CCN1CC(n2cc(CNC(=O)c3ccccc3[O-])nn2)C1 ZINC001094275388 768939384 /nfs/dbraw/zinc/93/93/84/768939384.db2.gz FSNXXIGPHHAASM-UHFFFAOYSA-N -1 3 313.361 0.956 20 30 DCEDHM COCC(=O)N[C@@H]1CCCN(Cc2ccc(C#N)cc2[O-])C1 ZINC001233388127 769364549 /nfs/dbraw/zinc/36/45/49/769364549.db2.gz MYDYWOMPKPUNNZ-CQSZACIVSA-N -1 3 303.362 0.991 20 30 DCEDHM CCOC(=O)[C@@H](C#N)NC(=O)c1cnc2cccnc2c1[O-] ZINC001153862550 769972148 /nfs/dbraw/zinc/97/21/48/769972148.db2.gz YRHAFWVCWTUXQT-SNVBAGLBSA-N -1 3 300.274 0.108 20 30 DCEDHM CN1C[C@H](NC(=O)c2cc(=O)c3cc(C#N)ccc3[n-]2)CCC1=O ZINC001154559263 770219872 /nfs/dbraw/zinc/21/98/72/770219872.db2.gz KRPNIQLDAJVHSG-LLVKDONJSA-N -1 3 324.340 0.750 20 30 DCEDHM N#Cc1ncc(Cl)nc1-n1c2[n-]c(=O)sc2c(=O)nc1N ZINC001155440813 770504230 /nfs/dbraw/zinc/50/42/30/770504230.db2.gz WABBZDYRJAPBRP-UHFFFAOYSA-N -1 3 321.709 0.688 20 30 DCEDHM CSc1[n-]nc(NC(=O)C#Cc2cccnc2)c1C(N)=O ZINC001177773917 770535749 /nfs/dbraw/zinc/53/57/49/770535749.db2.gz PMFBLVOUADYOJR-UHFFFAOYSA-N -1 3 301.331 0.616 20 30 DCEDHM CS(=O)(=O)N1CCC(C(=O)Nc2ccc([O-])c(C#N)c2)CC1 ZINC001178764675 770857641 /nfs/dbraw/zinc/85/76/41/770857641.db2.gz DGMUWVWUUNAXRX-UHFFFAOYSA-N -1 3 323.374 0.874 20 30 DCEDHM C#Cc1cnc(NC(=O)CNC(=O)c2ccc([O-])cc2)c(C#C)n1 ZINC001182969154 771582855 /nfs/dbraw/zinc/58/28/55/771582855.db2.gz WMVXLEQTCAHHDN-UHFFFAOYSA-N -1 3 320.308 0.513 20 30 DCEDHM N#Cc1ccc(CNC(=O)CNC(=O)c2ccc([O-])cc2)cn1 ZINC001182973742 771591933 /nfs/dbraw/zinc/59/19/33/771591933.db2.gz CPDRDFDSVNIOQH-UHFFFAOYSA-N -1 3 310.313 0.705 20 30 DCEDHM C=C(C)C(=O)NCCC[N-]S(=O)(=O)c1cnc(Cl)nc1 ZINC001185059228 771855190 /nfs/dbraw/zinc/85/51/90/771855190.db2.gz PKPAQNBOCQBUKI-UHFFFAOYSA-N -1 3 318.786 0.491 20 30 DCEDHM COC(=O)[C@H]1CCN(CC(=O)N([O-])C(=N)c2ccccc2N)C1 ZINC001186109246 772006674 /nfs/dbraw/zinc/00/66/74/772006674.db2.gz GDKUIZGDYANFJB-JTQLQIEISA-N -1 3 320.349 0.307 20 30 DCEDHM COC(=O)[C@H](CS)NC(=O)c1ccccc1-c1nnn[n-]1 ZINC001187007142 772119225 /nfs/dbraw/zinc/11/92/25/772119225.db2.gz RCBUTIWMIQISBN-VIFPVBQESA-N -1 3 307.335 0.068 20 30 DCEDHM COC(=O)[C@H](CS)NC(=O)c1ccccc1-c1nn[n-]n1 ZINC001187007142 772119227 /nfs/dbraw/zinc/11/92/27/772119227.db2.gz RCBUTIWMIQISBN-VIFPVBQESA-N -1 3 307.335 0.068 20 30 DCEDHM N#CCc1ncc(-n2c3[n-]c(=O)sc3c(=O)nc2N)cn1 ZINC001163047438 772450479 /nfs/dbraw/zinc/45/04/79/772450479.db2.gz AMKRLGMNFKEEHE-UHFFFAOYSA-N -1 3 301.291 0.229 20 30 DCEDHM CCOC(=O)[C@@H](C#N)NC(=O)c1c([O-])cc(OC)cc1OC ZINC001190143493 772588789 /nfs/dbraw/zinc/58/87/89/772588789.db2.gz BWYCFDQISFPPCO-SECBINFHSA-N -1 3 308.290 0.594 20 30 DCEDHM N#Cc1ccc(F)c(S(=O)(=O)[N-]c2c[nH]c(=O)[nH]c2=O)c1 ZINC001190617387 772646299 /nfs/dbraw/zinc/64/62/99/772646299.db2.gz IQUJBPKVXDVBMP-UHFFFAOYSA-N -1 3 310.266 0.699 20 30 DCEDHM N#Cc1ccc(F)c(S(=O)(=O)Nc2c[nH]c(=O)[n-]c2=O)c1 ZINC001190617387 772646301 /nfs/dbraw/zinc/64/63/01/772646301.db2.gz IQUJBPKVXDVBMP-UHFFFAOYSA-N -1 3 310.266 0.699 20 30 DCEDHM CC1(C)C(=O)NC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1F ZINC001190681601 772663564 /nfs/dbraw/zinc/66/35/64/772663564.db2.gz KPJSSKZWSAVMLF-LLVKDONJSA-N -1 3 311.338 0.500 20 30 DCEDHM COC(=O)c1cc2c([n-]1)nc(Cl)nc2N1CCNC[C@H]1C#N ZINC001164653028 772689974 /nfs/dbraw/zinc/68/99/74/772689974.db2.gz ZFXMHPQHEHWGGT-SSDOTTSWSA-N -1 3 320.740 0.700 20 30 DCEDHM Cc1nc(C#N)c([N-]C(=O)c2cncc(S(C)(=O)=O)c2)o1 ZINC001194121265 773150758 /nfs/dbraw/zinc/15/07/58/773150758.db2.gz JMQVMRAZTBGYBQ-UHFFFAOYSA-N -1 3 306.303 0.906 20 30 DCEDHM CSc1[n-]nc(NC(=O)c2cncc(C#N)c2)c1C(N)=O ZINC001194102228 773154209 /nfs/dbraw/zinc/15/42/09/773154209.db2.gz DSIMEXFIEXCXIW-UHFFFAOYSA-N -1 3 302.319 0.749 20 30 DCEDHM CCOC(=O)[C@H](CS)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC001196255448 773564611 /nfs/dbraw/zinc/56/46/11/773564611.db2.gz RQIAZNOPLCUCSF-QMMMGPOBSA-N -1 3 324.811 0.875 20 30 DCEDHM C=C(C)C[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001213519702 773857311 /nfs/dbraw/zinc/85/73/11/773857311.db2.gz PTGAEEJSYXUKDI-VIFPVBQESA-N -1 3 301.324 0.595 20 30 DCEDHM C=CCOC(=O)C[C@H]([N-]S(=O)(=O)C=C)C(=O)OCC=C ZINC001198641763 773956029 /nfs/dbraw/zinc/95/60/29/773956029.db2.gz GTTATHXLBVHROY-JTQLQIEISA-N -1 3 303.336 0.266 20 30 DCEDHM C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@H](C)C(=O)Nc1ccc([O-])c(C#N)c1 ZINC001218953809 774334884 /nfs/dbraw/zinc/33/48/84/774334884.db2.gz AOUAALHNYJOMOE-XDPNNTCOSA-N -1 3 303.318 0.334 20 30 DCEDHM N#Cc1cc(F)c(NC(=O)[C@@H](N)Cc2nnn[n-]2)c(Cl)c1 ZINC001218994928 774344004 /nfs/dbraw/zinc/34/40/04/774344004.db2.gz MYHZQODZXHIVHV-QMMMGPOBSA-N -1 3 309.692 0.372 20 30 DCEDHM N#Cc1cc(F)c(NC(=O)[C@@H](N)Cc2nn[n-]n2)c(Cl)c1 ZINC001218994928 774344012 /nfs/dbraw/zinc/34/40/12/774344012.db2.gz MYHZQODZXHIVHV-QMMMGPOBSA-N -1 3 309.692 0.372 20 30 DCEDHM CN(CCCNC(=O)c1cnc[n-]c1=O)c1ccc(C#N)cn1 ZINC001095671707 775293384 /nfs/dbraw/zinc/29/33/84/775293384.db2.gz JGZFILWELMSNAH-UHFFFAOYSA-N -1 3 312.333 0.705 20 30 DCEDHM Cc1nc[n-]c(=O)c1CCC(=O)NC1CCN(CC#N)CC1 ZINC001228132602 776050020 /nfs/dbraw/zinc/05/00/20/776050020.db2.gz LSZDVEXOZMHBLE-UHFFFAOYSA-N -1 3 303.366 0.527 20 30 DCEDHM N#Cc1ccc(N[C@H]2C[C@H](NC(=O)c3cn[n-]n3)C23CCC3)nn1 ZINC001041615300 777389497 /nfs/dbraw/zinc/38/94/97/777389497.db2.gz BDEARUBZPNDPFE-RYUDHWBXSA-N -1 3 324.348 0.619 20 30 DCEDHM C#C[C@@H](C)N(C)S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588325137 1166521914 /nfs/dbraw/zinc/52/19/14/1166521914.db2.gz GTHDAMRBCLOWOV-SNVBAGLBSA-N -1 3 305.363 0.817 20 30 DCEDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)[C@H](C)C#N ZINC001592108687 1167455601 /nfs/dbraw/zinc/45/56/01/1167455601.db2.gz CBEMVVXHMVRLSP-SECBINFHSA-N -1 3 306.351 0.708 20 30 DCEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)[C@H](C)C#N ZINC001592108687 1167455602 /nfs/dbraw/zinc/45/56/02/1167455602.db2.gz CBEMVVXHMVRLSP-SECBINFHSA-N -1 3 306.351 0.708 20 30 DCEDHM C=CCOCCN1CC(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC001318034567 945246890 /nfs/dbraw/zinc/24/68/90/945246890.db2.gz WQPMUKZLKLVQAE-UHFFFAOYSA-N -1 3 318.377 0.676 20 30 DCEDHM C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)CNCc1nc(=O)n(C)[n-]1 ZINC001496152564 939417443 /nfs/dbraw/zinc/41/74/43/939417443.db2.gz XAEKYYTYLLLNPC-XHDPSFHLSA-N -1 3 309.414 0.647 20 30 DCEDHM N#CCCC(=O)N1CCc2c([nH]nc2C(=O)[N-]c2nnco2)C1 ZINC001269024033 940594098 /nfs/dbraw/zinc/59/40/98/940594098.db2.gz OZZVHCVOPKADIJ-UHFFFAOYSA-N -1 3 315.293 0.233 20 30 DCEDHM C#CCNC(=O)[C@@H]1CC12CCN(C(=O)c1cc(=O)[n-]cn1)CC2 ZINC001269130394 940627928 /nfs/dbraw/zinc/62/79/28/940627928.db2.gz FRCBNRKBCYAUCM-NSHDSACASA-N -1 3 314.345 0.174 20 30 DCEDHM C#CCN1C[C@@]2(F)CN(C(=O)c3ccc([O-])cc3)C[C@@]2(F)C1=O ZINC001269479372 940717645 /nfs/dbraw/zinc/71/76/45/940717645.db2.gz FNGYEOPDFJGPDC-HZPDHXFCSA-N -1 3 320.295 0.740 20 30 DCEDHM C#CCN1C[C@@]2(F)CN(C(=O)c3ccccc3[O-])C[C@@]2(F)C1=O ZINC001269682553 940756915 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JKZKTXPFZVGVDO-UHFFFAOYSA-N -1 3 304.354 0.760 20 30 DCEDHM COCCCNN=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001591416948 1167275076 /nfs/dbraw/zinc/27/50/76/1167275076.db2.gz UWUWVHRPGBNKTQ-UHFFFAOYSA-N -1 3 301.354 0.928 20 30 DCEDHM COCCCNN=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001591416948 1167275086 /nfs/dbraw/zinc/27/50/86/1167275086.db2.gz UWUWVHRPGBNKTQ-UHFFFAOYSA-N -1 3 301.354 0.928 20 30 DCEDHM COc1ncc(NC(=O)N(C)CCC#N)cc1-c1nnn[n-]1 ZINC001591664163 1167344285 /nfs/dbraw/zinc/34/42/85/1167344285.db2.gz CMXXMDVEHYRNBF-UHFFFAOYSA-N -1 3 302.298 0.648 20 30 DCEDHM Cc1ncc(S(=O)(=O)NC[C@@H](C)C#N)cc1-c1nnn[n-]1 ZINC001592414355 1167517421 /nfs/dbraw/zinc/51/74/21/1167517421.db2.gz WAFGGFKTTNOLGO-ZETCQYMHSA-N -1 3 307.339 0.008 20 30 DCEDHM Cc1ncc(S(=O)(=O)NC[C@@H](C)C#N)cc1-c1nn[n-]n1 ZINC001592414355 1167517430 /nfs/dbraw/zinc/51/74/30/1167517430.db2.gz WAFGGFKTTNOLGO-ZETCQYMHSA-N -1 3 307.339 0.008 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1cn[nH]c1 ZINC001592669104 1167591168 /nfs/dbraw/zinc/59/11/68/1167591168.db2.gz PYJOAUOSCIRGPL-NSHDSACASA-N -1 3 308.305 0.911 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cn[nH]c1 ZINC001592669104 1167591172 /nfs/dbraw/zinc/59/11/72/1167591172.db2.gz PYJOAUOSCIRGPL-NSHDSACASA-N -1 3 308.305 0.911 20 30 DCEDHM N#CC1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001592672039 1167593678 /nfs/dbraw/zinc/59/36/78/1167593678.db2.gz VROJRMZIUFUDPK-UHFFFAOYSA-N -1 3 308.298 0.150 20 30 DCEDHM N#CCNC[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001592678712 1167598199 /nfs/dbraw/zinc/59/81/99/1167598199.db2.gz LVQJQSRUWFLYKA-MWLCHTKSSA-N -1 3 314.353 0.206 20 30 DCEDHM N#CCNC[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001592678712 1167598207 /nfs/dbraw/zinc/59/82/07/1167598207.db2.gz LVQJQSRUWFLYKA-MWLCHTKSSA-N -1 3 314.353 0.206 20 30 DCEDHM N#CCN[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001592678740 1167598615 /nfs/dbraw/zinc/59/86/15/1167598615.db2.gz NGVWNMYYYRLFMA-UWVGGRQHSA-N -1 3 314.353 0.349 20 30 DCEDHM N#CCN[C@H]1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001592678740 1167598622 /nfs/dbraw/zinc/59/86/22/1167598622.db2.gz NGVWNMYYYRLFMA-UWVGGRQHSA-N -1 3 314.353 0.349 20 30 DCEDHM N#Cc1cc(NC(=O)C[C@H]2CCNC2=O)ccc1-c1nnn[n-]1 ZINC001592689305 1167601945 /nfs/dbraw/zinc/60/19/45/1167601945.db2.gz SLGAMAKGACVEIH-MRVPVSSYSA-N -1 3 311.305 0.203 20 30 DCEDHM N#Cc1cc(NC(=O)C[C@H]2CCNC2=O)ccc1-c1nn[n-]n1 ZINC001592689305 1167601947 /nfs/dbraw/zinc/60/19/47/1167601947.db2.gz SLGAMAKGACVEIH-MRVPVSSYSA-N -1 3 311.305 0.203 20 30 DCEDHM N#Cc1ncn(Cc2ccc(C#N)cc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC001592693484 1167602666 /nfs/dbraw/zinc/60/26/66/1167602666.db2.gz GMCASOJGEKOPBR-UHFFFAOYSA-N -1 3 321.260 0.763 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CN2CCN1CC2 ZINC001592699789 1167604398 /nfs/dbraw/zinc/60/43/98/1167604398.db2.gz MQJJDBIUGSSTKT-GFCCVEGCSA-N -1 3 310.365 0.150 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CN2CCN1CC2 ZINC001592699789 1167604403 /nfs/dbraw/zinc/60/44/03/1167604403.db2.gz MQJJDBIUGSSTKT-GFCCVEGCSA-N -1 3 310.365 0.150 20 30 DCEDHM N#Cc1ncn(CC(=O)OCC(F)(F)F)c1-c1nnn[n-]1 ZINC001592709370 1167609506 /nfs/dbraw/zinc/60/95/06/1167609506.db2.gz CTWQVYLGMIDFQH-UHFFFAOYSA-N -1 3 301.188 0.040 20 30 DCEDHM NC(=O)CON=C1CCCCc2cc(-c3nnn[n-]3)ccc21 ZINC001592727722 1167618619 /nfs/dbraw/zinc/61/86/19/1167618619.db2.gz RKWRKMVUFMVFCC-UHFFFAOYSA-N -1 3 300.322 0.799 20 30 DCEDHM NC(=O)CON=C1CCCCc2cc(-c3nn[n-]n3)ccc21 ZINC001592727722 1167618622 /nfs/dbraw/zinc/61/86/22/1167618622.db2.gz RKWRKMVUFMVFCC-UHFFFAOYSA-N -1 3 300.322 0.799 20 30 DCEDHM Cc1cc(C#N)ccc1S(=O)(=O)N1CCCNC[C@H]1C(=O)[O-] ZINC001600076255 1168112003 /nfs/dbraw/zinc/11/20/03/1168112003.db2.gz QEVFIGHWNGTFER-LBPRGKRZSA-N -1 3 323.374 0.304 20 30 DCEDHM N#Cc1ccsc1NC(=O)CCN1CCC(O)(C(=O)[O-])CC1 ZINC001601129495 1168591575 /nfs/dbraw/zinc/59/15/75/1168591575.db2.gz HGVVYGMCZWFOCK-UHFFFAOYSA-N -1 3 323.374 0.860 20 30 DCEDHM C#C[C@@H](CO)NC(=O)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001602688755 1169159669 /nfs/dbraw/zinc/15/96/69/1169159669.db2.gz LUQPOUATOFHKQL-NSHDSACASA-N -1 3 324.300 0.246 20 30 DCEDHM C#C[C@@H](CO)NC(=O)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001602688755 1169159672 /nfs/dbraw/zinc/15/96/72/1169159672.db2.gz LUQPOUATOFHKQL-NSHDSACASA-N -1 3 324.300 0.246 20 30 DCEDHM C#C[C@H](C)N(C)S(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001602690387 1169159792 /nfs/dbraw/zinc/15/97/92/1169159792.db2.gz UPARROMJGNRGSG-VIFPVBQESA-N -1 3 323.353 0.789 20 30 DCEDHM C#C[C@H](C)N(C)S(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001602690387 1169159794 /nfs/dbraw/zinc/15/97/94/1169159794.db2.gz UPARROMJGNRGSG-VIFPVBQESA-N -1 3 323.353 0.789 20 30 DCEDHM C#CC1(O)CN(c2ncc(Br)cc2-c2nnn[n-]2)C1 ZINC001602690852 1169159949 /nfs/dbraw/zinc/15/99/49/1169159949.db2.gz KELUFMWHDQAGTL-UHFFFAOYSA-N -1 3 321.138 0.209 20 30 DCEDHM C#CC1(O)CN(c2ncc(Br)cc2-c2nn[n-]n2)C1 ZINC001602690852 1169159958 /nfs/dbraw/zinc/15/99/58/1169159958.db2.gz KELUFMWHDQAGTL-UHFFFAOYSA-N -1 3 321.138 0.209 20 30 DCEDHM C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602689619 1169160209 /nfs/dbraw/zinc/16/02/09/1169160209.db2.gz JDGTZEZDDYFJBZ-SSDOTTSWSA-N -1 3 302.269 0.082 20 30 DCEDHM C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602689619 1169160215 /nfs/dbraw/zinc/16/02/15/1169160215.db2.gz JDGTZEZDDYFJBZ-SSDOTTSWSA-N -1 3 302.269 0.082 20 30 DCEDHM C#CC1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC001602690882 1169160987 /nfs/dbraw/zinc/16/09/87/1169160987.db2.gz KUWJPNZJEBNFRY-UHFFFAOYSA-N -1 3 303.347 0.529 20 30 DCEDHM C#CC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC001602690882 1169160989 /nfs/dbraw/zinc/16/09/89/1169160989.db2.gz KUWJPNZJEBNFRY-UHFFFAOYSA-N -1 3 303.347 0.529 20 30 DCEDHM C#C[C@@H](C)NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001602690467 1169161198 /nfs/dbraw/zinc/16/11/98/1169161198.db2.gz WBPHTMOCIVCKDY-MRVPVSSYSA-N -1 3 309.326 0.447 20 30 DCEDHM C#C[C@@H](C)NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001602690467 1169161203 /nfs/dbraw/zinc/16/12/03/1169161203.db2.gz WBPHTMOCIVCKDY-MRVPVSSYSA-N -1 3 309.326 0.447 20 30 DCEDHM C#CCOCCN(C)C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001602729154 1169175261 /nfs/dbraw/zinc/17/52/61/1169175261.db2.gz GRYZUMFXHCGSIN-UHFFFAOYSA-N -1 3 303.297 0.728 20 30 DCEDHM C#CCOCCN(C)C(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001602729154 1169175266 /nfs/dbraw/zinc/17/52/66/1169175266.db2.gz GRYZUMFXHCGSIN-UHFFFAOYSA-N -1 3 303.297 0.728 20 30 DCEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001602753117 1169179814 /nfs/dbraw/zinc/17/98/14/1169179814.db2.gz LTBFSQTWAHUEAD-JOYOIKCWSA-N -1 3 302.338 0.906 20 30 DCEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001602753117 1169179817 /nfs/dbraw/zinc/17/98/17/1169179817.db2.gz LTBFSQTWAHUEAD-JOYOIKCWSA-N -1 3 302.338 0.906 20 30 DCEDHM C=C(CC)CNC(=O)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001602768113 1169180768 /nfs/dbraw/zinc/18/07/68/1169180768.db2.gz RKXFYIDJMLOCQS-UHFFFAOYSA-N -1 3 314.349 0.565 20 30 DCEDHM C=C(CC)CNC(=O)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001602768113 1169180772 /nfs/dbraw/zinc/18/07/72/1169180772.db2.gz RKXFYIDJMLOCQS-UHFFFAOYSA-N -1 3 314.349 0.565 20 30 DCEDHM C=C[C@@H](COC)NC(=O)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001602803483 1169185868 /nfs/dbraw/zinc/18/58/68/1169185868.db2.gz MVPQZYQSMHWBGR-ZETCQYMHSA-N -1 3 322.350 0.184 20 30 DCEDHM C=C[C@@H](COC)NC(=O)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001602803483 1169185873 /nfs/dbraw/zinc/18/58/73/1169185873.db2.gz MVPQZYQSMHWBGR-ZETCQYMHSA-N -1 3 322.350 0.184 20 30 DCEDHM C=CCOC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC001602867034 1169195522 /nfs/dbraw/zinc/19/55/22/1169195522.db2.gz SGRHMBNGNMRYIN-UHFFFAOYSA-N -1 3 311.305 0.977 20 30 DCEDHM C=CCOC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC001602867034 1169195528 /nfs/dbraw/zinc/19/55/28/1169195528.db2.gz SGRHMBNGNMRYIN-UHFFFAOYSA-N -1 3 311.305 0.977 20 30 DCEDHM C=CCOCCOCCOC(=O)c1cc(-c2nn[n-]n2)[nH]c1C ZINC001602869923 1169196459 /nfs/dbraw/zinc/19/64/59/1169196459.db2.gz GNNJERMFEHYSHS-UHFFFAOYSA-N -1 3 321.337 0.879 20 30 DCEDHM C=CCOCCOCCOC(=O)c1cc(-c2nnn[n-]2)[nH]c1C ZINC001602869923 1169196452 /nfs/dbraw/zinc/19/64/52/1169196452.db2.gz GNNJERMFEHYSHS-UHFFFAOYSA-N -1 3 321.337 0.879 20 30 DCEDHM CC#CCCOC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602894171 1169199847 /nfs/dbraw/zinc/19/98/47/1169199847.db2.gz RGEMARBHGSQVKY-UHFFFAOYSA-N -1 3 313.317 0.553 20 30 DCEDHM CC#CCCOC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602894171 1169199849 /nfs/dbraw/zinc/19/98/49/1169199849.db2.gz RGEMARBHGSQVKY-UHFFFAOYSA-N -1 3 313.317 0.553 20 30 DCEDHM C[C@]1(C#N)CN(C(=O)Cc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001603738617 1169373279 /nfs/dbraw/zinc/37/32/79/1169373279.db2.gz QXBLRIOLPUPFSP-HNNXBMFYSA-N -1 3 312.333 0.550 20 30 DCEDHM C[C@]1(C#N)CN(C(=O)Cc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001603738617 1169373283 /nfs/dbraw/zinc/37/32/83/1169373283.db2.gz QXBLRIOLPUPFSP-HNNXBMFYSA-N -1 3 312.333 0.550 20 30 DCEDHM CCN(CC#N)[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC001604273273 1169540408 /nfs/dbraw/zinc/54/04/08/1169540408.db2.gz GEKCJNGJCQOSKK-JTQLQIEISA-N -1 3 317.378 0.879 20 30 DCEDHM CCN(CC#N)[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC001604273273 1169540412 /nfs/dbraw/zinc/54/04/12/1169540412.db2.gz GEKCJNGJCQOSKK-JTQLQIEISA-N -1 3 317.378 0.879 20 30 DCEDHM COc1cc(C(=O)N=C2C[C@H](C)ON2)ccc1-c1nnn[n-]1 ZINC001605196275 1169864537 /nfs/dbraw/zinc/86/45/37/1169864537.db2.gz NWUYEBPVFGACNH-ZETCQYMHSA-N -1 3 302.294 0.727 20 30 DCEDHM COc1cc(C(=O)N=C2C[C@H](C)ON2)ccc1-c1nn[n-]n1 ZINC001605196275 1169864549 /nfs/dbraw/zinc/86/45/49/1169864549.db2.gz NWUYEBPVFGACNH-ZETCQYMHSA-N -1 3 302.294 0.727 20 30 DCEDHM Cn1nccc1C1(O)CN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001606281055 1170148474 /nfs/dbraw/zinc/14/84/74/1170148474.db2.gz PZGFDASZSMHCNB-UHFFFAOYSA-N -1 3 322.332 0.180 20 30 DCEDHM Cn1nccc1C1(O)CN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001606281055 1170148480 /nfs/dbraw/zinc/14/84/80/1170148480.db2.gz PZGFDASZSMHCNB-UHFFFAOYSA-N -1 3 322.332 0.180 20 30 DCEDHM 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DCEDHM C[C@H](C#N)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574587330 1163733572 /nfs/dbraw/zinc/73/35/72/1163733572.db2.gz MWRRUOJTJFAUMP-ZJUUUORDSA-N -1 3 314.353 0.728 20 30 DCEDHM Cn1ccnc1NC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001581800146 1165877355 /nfs/dbraw/zinc/87/73/55/1165877355.db2.gz ITBJGZVHYJGILM-LBPRGKRZSA-N -1 3 322.332 0.921 20 30 DCEDHM N#Cc1ncn(CC(=O)Cc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC001581868964 1165893789 /nfs/dbraw/zinc/89/37/89/1165893789.db2.gz BQCHRIQFNHFFHT-UHFFFAOYSA-N -1 3 318.300 0.618 20 30 DCEDHM N#CCSCC(=O)N1CC[C@@H]1CNC(=O)c1ccccc1[O-] ZINC001584585177 1166332563 /nfs/dbraw/zinc/33/25/63/1166332563.db2.gz CAIULRKUNAFBMT-LLVKDONJSA-N -1 3 319.386 0.980 20 30 DCEDHM C#C[C@H](C)N(C)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588325834 1166521775 /nfs/dbraw/zinc/52/17/75/1166521775.db2.gz XCFGKMJJEJMQCM-NSHDSACASA-N -1 3 319.390 0.594 20 30 DCEDHM C#C[C@H](C)N(C)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588325834 1166521780 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C#CCNC(=O)N1CC[C@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588354082 1166546134 /nfs/dbraw/zinc/54/61/34/1166546134.db2.gz PRNRKUHONUJFAQ-NSHDSACASA-N -1 3 313.321 0.058 20 30 DCEDHM C=C(C)CCNC(=O)C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588425147 1166553220 /nfs/dbraw/zinc/55/32/20/1166553220.db2.gz XEVVEQYHSPNKKM-UHFFFAOYSA-N -1 3 315.337 0.591 20 30 DCEDHM C=C(C)CCNC(=O)C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588425147 1166553227 /nfs/dbraw/zinc/55/32/27/1166553227.db2.gz XEVVEQYHSPNKKM-UHFFFAOYSA-N -1 3 315.337 0.591 20 30 DCEDHM C=CC[C@H](CC)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001588541318 1166559851 /nfs/dbraw/zinc/55/98/51/1166559851.db2.gz MCAQEECWRIDVNH-JTQLQIEISA-N -1 3 308.367 0.895 20 30 DCEDHM C=CC[C@H](CC)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001588541318 1166559857 /nfs/dbraw/zinc/55/98/57/1166559857.db2.gz MCAQEECWRIDVNH-JTQLQIEISA-N -1 3 308.367 0.895 20 30 DCEDHM C=C[C@@H](C)NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588515960 1166559987 /nfs/dbraw/zinc/55/99/87/1166559987.db2.gz 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O=C(C#CC1CC1)OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001592878476 1167655737 /nfs/dbraw/zinc/65/57/37/1167655737.db2.gz GRASQIIJJLFEHH-UHFFFAOYSA-N -1 3 311.301 0.762 20 30 DCEDHM Cc1c(C(=O)O[C@H]2C[C@H](C(=O)[O-])N(C)C2)cnn1CCC#N ZINC001600004829 1168088794 /nfs/dbraw/zinc/08/87/94/1168088794.db2.gz CZSMFVXNGMZHDZ-CMPLNLGQSA-N -1 3 306.322 0.419 20 30 DCEDHM C#CC[C@@H](CO)NCc1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001602683154 1169158280 /nfs/dbraw/zinc/15/82/80/1169158280.db2.gz JOVBPTGPYIRZFK-NSHDSACASA-N -1 3 308.290 0.532 20 30 DCEDHM C#C[C@@H](CC)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001602690429 1169159982 /nfs/dbraw/zinc/15/99/82/1169159982.db2.gz VPMLHAQZAGQYHD-LBPRGKRZSA-N -1 3 314.349 0.957 20 30 DCEDHM C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001602722121 1169173259 /nfs/dbraw/zinc/17/32/59/1169173259.db2.gz BAGSVORHPQXUHV-MRVPVSSYSA-N -1 3 317.280 0.301 20 30 DCEDHM C#CCNC(=O)[C@@H](C)OC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001602722121 1169173267 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0.506 20 30 DCEDHM C#C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1)C(C)C ZINC001588328861 1166524149 /nfs/dbraw/zinc/52/41/49/1166524149.db2.gz RZGSEZRMELGFHC-GFCCVEGCSA-N -1 3 323.353 0.942 20 30 DCEDHM C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588326877 1166524829 /nfs/dbraw/zinc/52/48/29/1166524829.db2.gz XGJVBTABTKSFFO-QMMMGPOBSA-N -1 3 316.296 0.472 20 30 DCEDHM C#C[C@@H](CC)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588326877 1166524834 /nfs/dbraw/zinc/52/48/34/1166524834.db2.gz XGJVBTABTKSFFO-QMMMGPOBSA-N -1 3 316.296 0.472 20 30 DCEDHM C#CC[C@H](CO)NC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588330767 1166525437 /nfs/dbraw/zinc/52/54/37/1166525437.db2.gz DSTNHXJCUPXTEM-SNVBAGLBSA-N -1 3 304.285 0.512 20 30 DCEDHM C#CC[C@H](CO)NC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588330767 1166525447 /nfs/dbraw/zinc/52/54/47/1166525447.db2.gz DSTNHXJCUPXTEM-SNVBAGLBSA-N -1 3 304.285 0.512 20 30 DCEDHM C#C[C@H]1COCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001588331019 1166527933 /nfs/dbraw/zinc/52/79/33/1166527933.db2.gz NKBKLTSKUBZLNF-JTQLQIEISA-N -1 3 314.374 0.898 20 30 DCEDHM C#C[C@H]1COCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001588331019 1166527945 /nfs/dbraw/zinc/52/79/45/1166527945.db2.gz NKBKLTSKUBZLNF-JTQLQIEISA-N -1 3 314.374 0.898 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588332359 1166528249 /nfs/dbraw/zinc/52/82/49/1166528249.db2.gz ZHGQYGSZSJIRIB-LBPRGKRZSA-N -1 3 300.322 0.050 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588332359 1166528256 /nfs/dbraw/zinc/52/82/56/1166528256.db2.gz ZHGQYGSZSJIRIB-LBPRGKRZSA-N -1 3 300.322 0.050 20 30 DCEDHM C#CC[C@H](COC)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588333850 1166529205 /nfs/dbraw/zinc/52/92/05/1166529205.db2.gz GNYIJOSTNXLZJL-LLVKDONJSA-N -1 3 321.362 0.183 20 30 DCEDHM C#CC[C@H](COC)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588333850 1166529213 /nfs/dbraw/zinc/52/92/13/1166529213.db2.gz GNYIJOSTNXLZJL-LLVKDONJSA-N -1 3 321.362 0.183 20 30 DCEDHM C#C[C@@H]1CCCCN1CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588331457 1166530295 /nfs/dbraw/zinc/53/02/95/1166530295.db2.gz BAQLCVOTUHZKGY-OAHLLOKOSA-N -1 3 324.388 0.971 20 30 DCEDHM C#CC[C@@H](COC)NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588334390 1166530731 /nfs/dbraw/zinc/53/07/31/1166530731.db2.gz VSJTUFAAMJFSHV-NSHDSACASA-N -1 3 315.333 0.643 20 30 DCEDHM C#CC[C@@H](COC)NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588334390 1166530740 /nfs/dbraw/zinc/53/07/40/1166530740.db2.gz VSJTUFAAMJFSHV-NSHDSACASA-N -1 3 315.333 0.643 20 30 DCEDHM C#CCCS(=O)(=O)N1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588347219 1166539172 /nfs/dbraw/zinc/53/91/72/1166539172.db2.gz KFYWLNMRDGXZNJ-UHFFFAOYSA-N -1 3 303.347 0.535 20 30 DCEDHM C#CCCS(=O)(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588347219 1166539174 /nfs/dbraw/zinc/53/91/74/1166539174.db2.gz KFYWLNMRDGXZNJ-UHFFFAOYSA-N -1 3 303.347 0.535 20 30 DCEDHM C#CCN(C)c1nnc(-c2ccc(-c3nnn[n-]3)n2C)n1CC ZINC001588349614 1166539926 /nfs/dbraw/zinc/53/99/26/1166539926.db2.gz SYXXQVUYKLFTNU-UHFFFAOYSA-N -1 3 311.353 0.553 20 30 DCEDHM C#CCN(C)c1nnc(-c2ccc(-c3nn[n-]n3)n2C)n1CC ZINC001588349614 1166539931 /nfs/dbraw/zinc/53/99/31/1166539931.db2.gz SYXXQVUYKLFTNU-UHFFFAOYSA-N -1 3 311.353 0.553 20 30 DCEDHM C#CCN(CC)C(=O)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588350324 1166541492 /nfs/dbraw/zinc/54/14/92/1166541492.db2.gz OQNVJMYCTRLIPA-UHFFFAOYSA-N -1 3 304.335 0.348 20 30 DCEDHM C#CCN(CC)C(=O)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588350324 1166541497 /nfs/dbraw/zinc/54/14/97/1166541497.db2.gz OQNVJMYCTRLIPA-UHFFFAOYSA-N -1 3 304.335 0.348 20 30 DCEDHM C#CCNC(=O)[C@H](C)OC(=O)c1cccc(-c2nnn[n-]2)c1C ZINC001588353103 1166543190 /nfs/dbraw/zinc/54/31/90/1166543190.db2.gz GUDIUVDBFSBPAS-JTQLQIEISA-N -1 3 313.317 0.470 20 30 DCEDHM C#CCNC(=O)[C@H](C)OC(=O)c1cccc(-c2nn[n-]n2)c1C ZINC001588353103 1166543194 /nfs/dbraw/zinc/54/31/94/1166543194.db2.gz GUDIUVDBFSBPAS-JTQLQIEISA-N -1 3 313.317 0.470 20 30 DCEDHM C#CCN1CCC(Nc2cc(-c3nnn[n-]3)nc(CC)n2)CC1 ZINC001588352396 1166544541 /nfs/dbraw/zinc/54/45/41/1166544541.db2.gz IRTLXVNXQBHIRE-UHFFFAOYSA-N -1 3 312.381 0.729 20 30 DCEDHM C#CCNC(=O)N1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588354081 1166546530 /nfs/dbraw/zinc/54/65/30/1166546530.db2.gz PRNRKUHONUJFAQ-LLVKDONJSA-N -1 3 313.321 0.058 20 30 DCEDHM C#CCNC(=O)N1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588354081 1166546537 /nfs/dbraw/zinc/54/65/37/1166546537.db2.gz PRNRKUHONUJFAQ-LLVKDONJSA-N -1 3 313.321 0.058 20 30 DCEDHM C#CCOCCC(=O)Nc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC001588362344 1166546840 /nfs/dbraw/zinc/54/68/40/1166546840.db2.gz AULKVBQNSPVBFI-UHFFFAOYSA-N -1 3 300.322 0.857 20 30 DCEDHM C#CCOCCC(=O)Nc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC001588362344 1166546844 /nfs/dbraw/zinc/54/68/44/1166546844.db2.gz AULKVBQNSPVBFI-UHFFFAOYSA-N -1 3 300.322 0.857 20 30 DCEDHM C=C(C)C[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588404619 1166550991 /nfs/dbraw/zinc/55/09/91/1166550991.db2.gz JMLMGLUMOJHJTH-JTQLQIEISA-N -1 3 302.338 0.627 20 30 DCEDHM C=C(C)C[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588404619 1166550994 /nfs/dbraw/zinc/55/09/94/1166550994.db2.gz JMLMGLUMOJHJTH-JTQLQIEISA-N -1 3 302.338 0.627 20 30 DCEDHM C=C[C@@](C)(O)CC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588503745 1166557585 /nfs/dbraw/zinc/55/75/85/1166557585.db2.gz DYAABNXIDOQMCU-CQSZACIVSA-N -1 3 317.353 0.117 20 30 DCEDHM C=C[C@@](C)(O)CC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588503745 1166557589 /nfs/dbraw/zinc/55/75/89/1166557589.db2.gz DYAABNXIDOQMCU-CQSZACIVSA-N -1 3 317.353 0.117 20 30 DCEDHM C=CC[C@@H](CO)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588545191 1166559134 /nfs/dbraw/zinc/55/91/34/1166559134.db2.gz AJQHRQIZTKFSFZ-MNOVXSKESA-N -1 3 317.349 0.687 20 30 DCEDHM C=CC[C@@H](CO)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588545191 1166559141 /nfs/dbraw/zinc/55/91/41/1166559141.db2.gz AJQHRQIZTKFSFZ-MNOVXSKESA-N -1 3 317.349 0.687 20 30 DCEDHM C=C[C@H](COC)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001588525277 1166561261 /nfs/dbraw/zinc/56/12/61/1166561261.db2.gz FMQQSGCOCSYRTE-SECBINFHSA-N -1 3 309.351 0.346 20 30 DCEDHM C=C[C@H](COC)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001588525277 1166561267 /nfs/dbraw/zinc/56/12/67/1166561267.db2.gz FMQQSGCOCSYRTE-SECBINFHSA-N -1 3 309.351 0.346 20 30 DCEDHM C=CC[C@@H](CO)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588545753 1166563412 /nfs/dbraw/zinc/56/34/12/1166563412.db2.gz NBFVTRQOLJYCKX-NSHDSACASA-N -1 3 323.378 0.390 20 30 DCEDHM C=CC[C@@H](CO)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588545753 1166563420 /nfs/dbraw/zinc/56/34/20/1166563420.db2.gz NBFVTRQOLJYCKX-NSHDSACASA-N -1 3 323.378 0.390 20 30 DCEDHM C=CCCC(=O)NCCN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001588572661 1166566175 /nfs/dbraw/zinc/56/61/75/1166566175.db2.gz NOAGQRFLDJUYDE-UHFFFAOYSA-N -1 3 301.354 0.780 20 30 DCEDHM C=CCCC(=O)NCCN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001588572661 1166566179 /nfs/dbraw/zinc/56/61/79/1166566179.db2.gz NOAGQRFLDJUYDE-UHFFFAOYSA-N -1 3 301.354 0.780 20 30 DCEDHM C=CCN1CC(=O)N([C@@H]2Cc3ccc(-c4nnn[n-]4)cc3C2)C1=O ZINC001588654679 1166572548 /nfs/dbraw/zinc/57/25/48/1166572548.db2.gz NFCHYBFYJYDMSV-CYBMUJFWSA-N -1 3 324.344 0.784 20 30 DCEDHM C=CCN1CC(=O)N([C@@H]2Cc3ccc(-c4nn[n-]n4)cc3C2)C1=O ZINC001588654679 1166572563 /nfs/dbraw/zinc/57/25/63/1166572563.db2.gz NFCHYBFYJYDMSV-CYBMUJFWSA-N -1 3 324.344 0.784 20 30 DCEDHM C=CCN1CC[C@@H](N(C)c2cc(C)c(-c3nnn[n-]3)cn2)C1=O ZINC001588655174 1166574019 /nfs/dbraw/zinc/57/40/19/1166574019.db2.gz XPNKYWTWICUXFC-GFCCVEGCSA-N -1 3 313.365 0.793 20 30 DCEDHM C=CCN1CC[C@@H](N(C)c2cc(C)c(-c3nn[n-]n3)cn2)C1=O ZINC001588655174 1166574021 /nfs/dbraw/zinc/57/40/21/1166574021.db2.gz XPNKYWTWICUXFC-GFCCVEGCSA-N -1 3 313.365 0.793 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588659025 1166575734 /nfs/dbraw/zinc/57/57/34/1166575734.db2.gz GURUVWLDPCFOEL-QMMMGPOBSA-N -1 3 319.296 0.853 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588659025 1166575742 /nfs/dbraw/zinc/57/57/42/1166575742.db2.gz GURUVWLDPCFOEL-QMMMGPOBSA-N -1 3 319.296 0.853 20 30 DCEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588718446 1166581134 /nfs/dbraw/zinc/58/11/34/1166581134.db2.gz LTYIOOBIUNLNSL-SKDRFNHKSA-N -1 3 302.338 0.669 20 30 DCEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588718446 1166581141 /nfs/dbraw/zinc/58/11/41/1166581141.db2.gz LTYIOOBIUNLNSL-SKDRFNHKSA-N -1 3 302.338 0.669 20 30 DCEDHM CC#CCN1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588747483 1166583901 /nfs/dbraw/zinc/58/39/01/1166583901.db2.gz IOUOTQBTPDLVKE-LLVKDONJSA-N -1 3 313.365 0.364 20 30 DCEDHM CC#CCN1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588747483 1166583911 /nfs/dbraw/zinc/58/39/11/1166583911.db2.gz IOUOTQBTPDLVKE-LLVKDONJSA-N -1 3 313.365 0.364 20 30 DCEDHM CC#CC[C@H](CO)NC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001588738663 1166584804 /nfs/dbraw/zinc/58/48/04/1166584804.db2.gz PZYMBSLLVRQKKL-SECBINFHSA-N -1 3 320.378 0.502 20 30 DCEDHM CC(N=Nc1nccn(C)c1=O)c1ccccc1-c1nnn[n-]1 ZINC001588781389 1166589386 /nfs/dbraw/zinc/58/93/86/1166589386.db2.gz ZLCCGEVJSMWIDO-UHFFFAOYSA-N -1 3 310.321 0.797 20 30 DCEDHM CC(N=Nc1nccn(C)c1=O)c1ccccc1-c1nn[n-]n1 ZINC001588781389 1166589395 /nfs/dbraw/zinc/58/93/95/1166589395.db2.gz ZLCCGEVJSMWIDO-UHFFFAOYSA-N -1 3 310.321 0.797 20 30 DCEDHM C[C@H](C#N)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001588928502 1166615638 /nfs/dbraw/zinc/61/56/38/1166615638.db2.gz BICPIYZAOQYSHX-SNVBAGLBSA-N -1 3 312.337 0.070 20 30 DCEDHM C[C@H](C#N)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001588928502 1166615643 /nfs/dbraw/zinc/61/56/43/1166615643.db2.gz BICPIYZAOQYSHX-SNVBAGLBSA-N -1 3 312.337 0.070 20 30 DCEDHM C[C@@H](C#N)OCCOC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588934748 1166618799 /nfs/dbraw/zinc/61/87/99/1166618799.db2.gz SQCVUAURWJYCRJ-JTQLQIEISA-N -1 3 301.306 0.881 20 30 DCEDHM C[C@@H](C#N)OCCOC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588934748 1166618806 /nfs/dbraw/zinc/61/88/06/1166618806.db2.gz 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C#CCCCNC(=O)C(=O)N1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588345617 1166535048 /nfs/dbraw/zinc/53/50/48/1166535048.db2.gz GUGUSQBDWCDQNN-UHFFFAOYSA-N -1 3 324.344 0.239 20 30 DCEDHM C#CCC[C@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC001588337716 1166536239 /nfs/dbraw/zinc/53/62/39/1166536239.db2.gz VFMKBOZWORRUGB-VIFPVBQESA-N -1 3 303.282 0.356 20 30 DCEDHM C#CCC[C@H](O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC001588337716 1166536245 /nfs/dbraw/zinc/53/62/45/1166536245.db2.gz VFMKBOZWORRUGB-VIFPVBQESA-N -1 3 303.282 0.356 20 30 DCEDHM C#CCCS(=O)(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588347667 1166537415 /nfs/dbraw/zinc/53/74/15/1166537415.db2.gz SQACXGUDVPXOMA-UHFFFAOYSA-N -1 3 321.362 0.318 20 30 DCEDHM C#CCCS(=O)(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588347667 1166537422 /nfs/dbraw/zinc/53/74/22/1166537422.db2.gz SQACXGUDVPXOMA-UHFFFAOYSA-N -1 3 321.362 0.318 20 30 DCEDHM C#CCN(CC#N)C[C@@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001588350443 1166540576 /nfs/dbraw/zinc/54/05/76/1166540576.db2.gz 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1166547375 /nfs/dbraw/zinc/54/73/75/1166547375.db2.gz CSNYMQVAVCTNMO-CQSZACIVSA-N -1 3 311.345 0.490 20 30 DCEDHM C#CCOCCC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588361068 1166547380 /nfs/dbraw/zinc/54/73/80/1166547380.db2.gz CSNYMQVAVCTNMO-CQSZACIVSA-N -1 3 311.345 0.490 20 30 DCEDHM C=C(C)C[C@H](CO)NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588404843 1166551025 /nfs/dbraw/zinc/55/10/25/1166551025.db2.gz KYUGYMJBUGEUPF-CYBMUJFWSA-N -1 3 316.365 0.722 20 30 DCEDHM C=C(C)CNC(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001588429491 1166555482 /nfs/dbraw/zinc/55/54/82/1166555482.db2.gz BWUNWDDEDNQLMY-UHFFFAOYSA-N -1 3 300.322 0.806 20 30 DCEDHM C=C(C)CNC(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001588429491 1166555487 /nfs/dbraw/zinc/55/54/87/1166555487.db2.gz BWUNWDDEDNQLMY-UHFFFAOYSA-N -1 3 300.322 0.806 20 30 DCEDHM C=C[C@@](C)(O)CC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588503727 1166558535 /nfs/dbraw/zinc/55/85/35/1166558535.db2.gz DUILWBXEAWMDRP-OAHLLOKOSA-N -1 3 317.349 0.689 20 30 DCEDHM C=CCC[C@@H]1NC(=O)N(Cc2ccc(-c3nnn[n-]3)cn2)C1=O ZINC001588581866 1166564820 /nfs/dbraw/zinc/56/48/20/1166564820.db2.gz BYPFQOPMRAEJPD-NSHDSACASA-N -1 3 313.321 0.648 20 30 DCEDHM C=CCC[C@@H]1NC(=O)N(Cc2ccc(-c3nn[n-]n3)cn2)C1=O ZINC001588581866 1166564828 /nfs/dbraw/zinc/56/48/28/1166564828.db2.gz BYPFQOPMRAEJPD-NSHDSACASA-N -1 3 313.321 0.648 20 30 DCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CC(=O)N1 ZINC001588638791 1166573778 /nfs/dbraw/zinc/57/37/78/1166573778.db2.gz JJNBFNRLWACNOB-GFCCVEGCSA-N -1 3 312.333 0.270 20 30 DCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CC(=O)N1 ZINC001588638791 1166573788 /nfs/dbraw/zinc/57/37/88/1166573788.db2.gz JJNBFNRLWACNOB-GFCCVEGCSA-N -1 3 312.333 0.270 20 30 DCEDHM C=CCOCC(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588666370 1166580272 /nfs/dbraw/zinc/58/02/72/1166580272.db2.gz DPJKHNAJLGPOSD-UHFFFAOYSA-N -1 3 315.333 0.659 20 30 DCEDHM CC#CC(=O)N1CC[C@H](N(C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588738844 1166585665 /nfs/dbraw/zinc/58/56/65/1166585665.db2.gz SQVLMBDJCXOJGJ-AWEZNQCLSA-N -1 3 310.361 0.927 20 30 DCEDHM CC#CC(=O)N1CC[C@H](N(C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588738844 1166585670 /nfs/dbraw/zinc/58/56/70/1166585670.db2.gz SQVLMBDJCXOJGJ-AWEZNQCLSA-N -1 3 310.361 0.927 20 30 DCEDHM CC#CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC001588747652 1166587339 /nfs/dbraw/zinc/58/73/39/1166587339.db2.gz PSWGNLFQJZMPTF-UHFFFAOYSA-N -1 3 318.724 0.598 20 30 DCEDHM CC#CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC001588747652 1166587344 /nfs/dbraw/zinc/58/73/44/1166587344.db2.gz PSWGNLFQJZMPTF-UHFFFAOYSA-N -1 3 318.724 0.598 20 30 DCEDHM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588928498 1166616331 /nfs/dbraw/zinc/61/63/31/1166616331.db2.gz BDRKAOWHRDRMJB-ONGXEEELSA-N -1 3 312.337 0.116 20 30 DCEDHM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588928498 1166616336 /nfs/dbraw/zinc/61/63/36/1166616336.db2.gz BDRKAOWHRDRMJB-ONGXEEELSA-N -1 3 312.337 0.116 20 30 DCEDHM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001588931249 1166618665 /nfs/dbraw/zinc/61/86/65/1166618665.db2.gz VHICLQZSUQYRHR-VHSXEESVSA-N -1 3 312.337 0.116 20 30 DCEDHM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001588931249 1166618668 /nfs/dbraw/zinc/61/86/68/1166618668.db2.gz VHICLQZSUQYRHR-VHSXEESVSA-N -1 3 312.337 0.116 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@H](C)CNc1ncccc1-c1nnn[n-]1 ZINC001588931326 1166619707 /nfs/dbraw/zinc/61/97/07/1166619707.db2.gz XFNQGWKZPZSIEE-RKDXNWHRSA-N -1 3 300.326 0.338 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@H](C)CNc1ncccc1-c1nn[n-]n1 ZINC001588931326 1166619711 /nfs/dbraw/zinc/61/97/11/1166619711.db2.gz XFNQGWKZPZSIEE-RKDXNWHRSA-N -1 3 300.326 0.338 20 30 DCEDHM C[C@@H](C#N)CN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001588930706 1166620076 /nfs/dbraw/zinc/62/00/76/1166620076.db2.gz HLOMROKSXVVICT-ZETCQYMHSA-N -1 3 302.298 0.953 20 30 DCEDHM C[C@@H](C#N)CN(C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001588930706 1166620080 /nfs/dbraw/zinc/62/00/80/1166620080.db2.gz HLOMROKSXVVICT-ZETCQYMHSA-N -1 3 302.298 0.953 20 30 DCEDHM C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001589787240 1166687685 /nfs/dbraw/zinc/68/76/85/1166687685.db2.gz IGVQPIJXBGXJGQ-QMMMGPOBSA-N -1 3 307.339 0.184 20 30 DCEDHM C[C@@H](CC#N)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001589786733 1166688990 /nfs/dbraw/zinc/68/89/90/1166688990.db2.gz KIOYVFQNNBZZLG-VIFPVBQESA-N -1 3 300.326 0.340 20 30 DCEDHM C[C@@H](CC#N)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001589786733 1166688998 /nfs/dbraw/zinc/68/89/98/1166688998.db2.gz KIOYVFQNNBZZLG-VIFPVBQESA-N -1 3 300.326 0.340 20 30 DCEDHM C[C@H](CN1CCOCC1)Nc1c(C#N)cccc1-c1nnn[n-]1 ZINC001589848339 1166698404 /nfs/dbraw/zinc/69/84/04/1166698404.db2.gz QVQQTOKVDHJIRR-LLVKDONJSA-N -1 3 313.365 0.871 20 30 DCEDHM C[C@H](CN1CCOCC1)Nc1c(C#N)cccc1-c1nn[n-]n1 ZINC001589848339 1166698409 /nfs/dbraw/zinc/69/84/09/1166698409.db2.gz QVQQTOKVDHJIRR-LLVKDONJSA-N -1 3 313.365 0.871 20 30 DCEDHM C[C@H]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1CC#N ZINC001590235325 1166823579 /nfs/dbraw/zinc/82/35/79/1166823579.db2.gz NSCCHEQYICKQSC-ONGXEEELSA-N -1 3 314.353 0.301 20 30 DCEDHM C[C@H]1CC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1CC#N ZINC001590235325 1166823585 /nfs/dbraw/zinc/82/35/85/1166823585.db2.gz NSCCHEQYICKQSC-ONGXEEELSA-N -1 3 314.353 0.301 20 30 DCEDHM C[C@@H]1OCC[C@@]1(O)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590333105 1166871336 /nfs/dbraw/zinc/87/13/36/1166871336.db2.gz CDCQUVXOSQMHAH-LKFCYVNXSA-N -1 3 300.322 0.690 20 30 DCEDHM C[C@@H]1OCC[C@@]1(O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590333105 1166871348 /nfs/dbraw/zinc/87/13/48/1166871348.db2.gz CDCQUVXOSQMHAH-LKFCYVNXSA-N -1 3 300.322 0.690 20 30 DCEDHM CC[C@H](C#N)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001590367210 1166888884 /nfs/dbraw/zinc/88/88/84/1166888884.db2.gz HOZQHFZRGOTLSR-SECBINFHSA-N -1 3 300.326 0.340 20 30 DCEDHM CC[C@H](C#N)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001590367210 1166888892 /nfs/dbraw/zinc/88/88/92/1166888892.db2.gz HOZQHFZRGOTLSR-SECBINFHSA-N -1 3 300.326 0.340 20 30 DCEDHM CC[C@@H](CC#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001590419947 1166901921 /nfs/dbraw/zinc/90/19/21/1166901921.db2.gz RELRZQJJPDEBKO-VIFPVBQESA-N -1 3 307.339 0.232 20 30 DCEDHM CC[C@@H](CC#N)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001590419947 1166901927 /nfs/dbraw/zinc/90/19/27/1166901927.db2.gz RELRZQJJPDEBKO-VIFPVBQESA-N -1 3 307.339 0.232 20 30 DCEDHM CCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)[C@@H]1CCN(CC#N)C1 ZINC001590673093 1166966266 /nfs/dbraw/zinc/96/62/66/1166966266.db2.gz LESPOTIEGTYIAV-LLVKDONJSA-N -1 3 314.353 0.255 20 30 DCEDHM CCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)[C@@H]1CCN(CC#N)C1 ZINC001590673093 1166966269 /nfs/dbraw/zinc/96/62/69/1166966269.db2.gz LESPOTIEGTYIAV-LLVKDONJSA-N -1 3 314.353 0.255 20 30 DCEDHM CCN(CCO)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590714581 1166980200 /nfs/dbraw/zinc/98/02/00/1166980200.db2.gz MTVDIZUFMWTHHH-CYBMUJFWSA-N -1 3 314.349 0.390 20 30 DCEDHM COCC[C@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001591397420 1167267494 /nfs/dbraw/zinc/26/74/94/1167267494.db2.gz FZWODTXJAURTRJ-CYBMUJFWSA-N -1 3 303.326 0.254 20 30 DCEDHM COCC[C@](C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001591397420 1167267501 /nfs/dbraw/zinc/26/75/01/1167267501.db2.gz FZWODTXJAURTRJ-CYBMUJFWSA-N -1 3 303.326 0.254 20 30 DCEDHM COc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)on1 ZINC001591516434 1167320620 /nfs/dbraw/zinc/32/06/20/1167320620.db2.gz BCCDVVUPWOWNFQ-UHFFFAOYSA-N -1 3 311.261 0.987 20 30 DCEDHM COc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)on1 ZINC001591516434 1167320630 /nfs/dbraw/zinc/32/06/30/1167320630.db2.gz BCCDVVUPWOWNFQ-UHFFFAOYSA-N -1 3 311.261 0.987 20 30 DCEDHM Cc1ccc(-c2nnn[n-]2)c(NCCNC(=O)C#CC(C)C)n1 ZINC001592089207 1167451306 /nfs/dbraw/zinc/45/13/06/1167451306.db2.gz GAIYLQPKRDHEGG-UHFFFAOYSA-N -1 3 313.365 0.758 20 30 DCEDHM Cc1ccc(-c2nn[n-]n2)c(NCCNC(=O)C#CC(C)C)n1 ZINC001592089207 1167451310 /nfs/dbraw/zinc/45/13/10/1167451310.db2.gz GAIYLQPKRDHEGG-UHFFFAOYSA-N -1 3 313.365 0.758 20 30 DCEDHM Cc1ccc(S(=O)(=O)N(C)C[C@H](C)C#N)c(-c2nnn[n-]2)c1 ZINC001592189073 1167472638 /nfs/dbraw/zinc/47/26/38/1167472638.db2.gz UEILPTPASYVKKQ-SNVBAGLBSA-N -1 3 320.378 0.955 20 30 DCEDHM Cc1ccc(S(=O)(=O)N(C)C[C@H](C)C#N)c(-c2nn[n-]n2)c1 ZINC001592189073 1167472641 /nfs/dbraw/zinc/47/26/41/1167472641.db2.gz UEILPTPASYVKKQ-SNVBAGLBSA-N -1 3 320.378 0.955 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1nc(-c2ccco2)no1 ZINC001592339808 1167495758 /nfs/dbraw/zinc/49/57/58/1167495758.db2.gz ITWJVECAVUYIEV-UHFFFAOYSA-N -1 3 323.276 0.935 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1nc(-c2ccco2)no1 ZINC001592339808 1167495760 /nfs/dbraw/zinc/49/57/60/1167495760.db2.gz ITWJVECAVUYIEV-UHFFFAOYSA-N -1 3 323.276 0.935 20 30 DCEDHM Cn1c(CC#N)nnc1SCc1cc(-c2nnn[n-]2)ccn1 ZINC001592555078 1167557097 /nfs/dbraw/zinc/55/70/97/1167557097.db2.gz NGIQIVLEMRRJQO-UHFFFAOYSA-N -1 3 313.350 0.749 20 30 DCEDHM Cn1c(CC#N)nnc1SCc1cc(-c2nn[n-]n2)ccn1 ZINC001592555078 1167557106 /nfs/dbraw/zinc/55/71/06/1167557106.db2.gz NGIQIVLEMRRJQO-UHFFFAOYSA-N -1 3 313.350 0.749 20 30 DCEDHM N#CC1(COC(=O)C=Cc2ccccc2-c2nnn[n-]2)COC1 ZINC001592668992 1167592389 /nfs/dbraw/zinc/59/23/89/1167592389.db2.gz CPJWOEOPDZBSGS-WAYWQWQTSA-N -1 3 311.301 0.963 20 30 DCEDHM N#CC1(COC(=O)C=Cc2ccccc2-c2nn[n-]n2)COC1 ZINC001592668992 1167592395 /nfs/dbraw/zinc/59/23/95/1167592395.db2.gz CPJWOEOPDZBSGS-WAYWQWQTSA-N -1 3 311.301 0.963 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nnn[n-]2)cc1)C(=O)OCCCO ZINC001592667867 1167592674 /nfs/dbraw/zinc/59/26/74/1167592674.db2.gz CNJLJCSDXSAKPT-LBPRGKRZSA-N -1 3 301.306 0.475 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)OCCCO ZINC001592667867 1167592679 /nfs/dbraw/zinc/59/26/79/1167592679.db2.gz CNJLJCSDXSAKPT-LBPRGKRZSA-N -1 3 301.306 0.475 20 30 DCEDHM N#C[C@]1(F)CCN(C(=O)COc2ccccc2-c2nnn[n-]2)C1 ZINC001592670750 1167594392 /nfs/dbraw/zinc/59/43/92/1167594392.db2.gz NANRPCXYBWZAJK-CQSZACIVSA-N -1 3 316.296 0.710 20 30 DCEDHM N#C[C@]1(F)CCN(C(=O)COc2ccccc2-c2nn[n-]n2)C1 ZINC001592670750 1167594397 /nfs/dbraw/zinc/59/43/97/1167594397.db2.gz NANRPCXYBWZAJK-CQSZACIVSA-N -1 3 316.296 0.710 20 30 DCEDHM N#C[C@@]1(F)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001592670586 1167595117 /nfs/dbraw/zinc/59/51/17/1167595117.db2.gz HAYZUUREQYJGNR-LBPRGKRZSA-N -1 3 318.272 0.799 20 30 DCEDHM N#C[C@@]1(F)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001592670586 1167595121 /nfs/dbraw/zinc/59/51/21/1167595121.db2.gz HAYZUUREQYJGNR-LBPRGKRZSA-N -1 3 318.272 0.799 20 30 DCEDHM N#CC[C@]1(O)CCN(C(=O)c2sccc2-c2nnn[n-]2)C1 ZINC001592674595 1167597227 /nfs/dbraw/zinc/59/72/27/1167597227.db2.gz GHXIYXGQKUHKRD-LBPRGKRZSA-N -1 3 304.335 0.419 20 30 DCEDHM N#CC[C@]1(O)CCN(C(=O)c2sccc2-c2nn[n-]n2)C1 ZINC001592674595 1167597233 /nfs/dbraw/zinc/59/72/33/1167597233.db2.gz GHXIYXGQKUHKRD-LBPRGKRZSA-N -1 3 304.335 0.419 20 30 DCEDHM N#CCCCCNS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001592676450 1167597274 /nfs/dbraw/zinc/59/72/74/1167597274.db2.gz PQERFARMXPVWSQ-UHFFFAOYSA-N -1 3 307.339 0.234 20 30 DCEDHM N#CCCCCNS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001592676450 1167597276 /nfs/dbraw/zinc/59/72/76/1167597276.db2.gz PQERFARMXPVWSQ-UHFFFAOYSA-N -1 3 307.339 0.234 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCN(C(N)=O)C1 ZINC001592699694 1167603836 /nfs/dbraw/zinc/60/38/36/1167603836.db2.gz IPUOTPLWMKCPCL-VIFPVBQESA-N -1 3 312.337 0.551 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCN(C(N)=O)C1 ZINC001592699694 1167603841 /nfs/dbraw/zinc/60/38/41/1167603841.db2.gz IPUOTPLWMKCPCL-VIFPVBQESA-N -1 3 312.337 0.551 20 30 DCEDHM N#Cc1ccncc1C(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001592701983 1167604172 /nfs/dbraw/zinc/60/41/72/1167604172.db2.gz FQHNZRAZFSQEJD-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM N#Cc1ccncc1C(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001592701983 1167604174 /nfs/dbraw/zinc/60/41/74/1167604174.db2.gz FQHNZRAZFSQEJD-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM 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C#CC[C@@H](COC)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588334394 1166532138 /nfs/dbraw/zinc/53/21/38/1166532138.db2.gz WDUPKMOQHMHMRO-NSHDSACASA-N -1 3 321.362 0.183 20 30 DCEDHM C#CC[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)C(=O)OC ZINC001588334409 1166532862 /nfs/dbraw/zinc/53/28/62/1166532862.db2.gz WUTKQFNSIHGJQP-GFCCVEGCSA-N -1 3 313.317 0.470 20 30 DCEDHM C#CC[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)C(=O)OC ZINC001588334409 1166532868 /nfs/dbraw/zinc/53/28/68/1166532868.db2.gz WUTKQFNSIHGJQP-GFCCVEGCSA-N -1 3 313.317 0.470 20 30 DCEDHM C#CCCN(CCOC)C(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588346783 1166537765 /nfs/dbraw/zinc/53/77/65/1166537765.db2.gz YLFBCJKFBZOCDE-UHFFFAOYSA-N -1 3 302.338 0.317 20 30 DCEDHM C#CCCN(CCOC)C(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588346783 1166537773 /nfs/dbraw/zinc/53/77/73/1166537773.db2.gz YLFBCJKFBZOCDE-UHFFFAOYSA-N -1 3 302.338 0.317 20 30 DCEDHM C#CCN(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588349916 1166539603 /nfs/dbraw/zinc/53/96/03/1166539603.db2.gz RRORMIJYXYPSLF-UHFFFAOYSA-N -1 3 317.374 0.961 20 30 DCEDHM C#CCN(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588349916 1166539612 /nfs/dbraw/zinc/53/96/12/1166539612.db2.gz RRORMIJYXYPSLF-UHFFFAOYSA-N -1 3 317.374 0.961 20 30 DCEDHM c1cn(-c2ccc(N=NCc3ccc(-c4nnn[n-]4)o3)nn2)cn1 ZINC001588381596 1166548678 /nfs/dbraw/zinc/54/86/78/1166548678.db2.gz KHUYXWHFZOVWQO-UHFFFAOYSA-N -1 3 322.292 0.881 20 30 DCEDHM c1cn(-c2ccc(N=NCc3ccc(-c4nn[n-]n4)o3)nn2)cn1 ZINC001588381596 1166548688 /nfs/dbraw/zinc/54/86/88/1166548688.db2.gz KHUYXWHFZOVWQO-UHFFFAOYSA-N -1 3 322.292 0.881 20 30 DCEDHM C=C(C)C[C@H](CO)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001588405149 1166550627 /nfs/dbraw/zinc/55/06/27/1166550627.db2.gz LXMGVGXCRDDFCF-SNVBAGLBSA-N -1 3 323.378 0.472 20 30 DCEDHM C=C(C)C[C@H](CO)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001588405149 1166550634 /nfs/dbraw/zinc/55/06/34/1166550634.db2.gz LXMGVGXCRDDFCF-SNVBAGLBSA-N -1 3 323.378 0.472 20 30 DCEDHM C=C[C@@H](NCCOc1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC001588526088 1166559679 /nfs/dbraw/zinc/55/96/79/1166559679.db2.gz QEFHTRWLWIEFNR-GFCCVEGCSA-N -1 3 303.322 0.563 20 30 DCEDHM C=CC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588546058 1166563682 /nfs/dbraw/zinc/56/36/82/1166563682.db2.gz VXBIPXQSOXVQHO-SNVBAGLBSA-N -1 3 303.322 0.542 20 30 DCEDHM C=CC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588546058 1166563687 /nfs/dbraw/zinc/56/36/87/1166563687.db2.gz VXBIPXQSOXVQHO-SNVBAGLBSA-N -1 3 303.322 0.542 20 30 DCEDHM C=CCCOCC(=O)NCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588616159 1166571405 /nfs/dbraw/zinc/57/14/05/1166571405.db2.gz YDCCLXSLAMFSNL-UHFFFAOYSA-N -1 3 317.353 0.383 20 30 DCEDHM C=CCCOCC(=O)NCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588616159 1166571408 /nfs/dbraw/zinc/57/14/08/1166571408.db2.gz YDCCLXSLAMFSNL-UHFFFAOYSA-N -1 3 317.353 0.383 20 30 DCEDHM C=CCn1cc(C(=O)N2CCc3c2cccc3-c2nnn[n-]2)nn1 ZINC001588713586 1166581577 /nfs/dbraw/zinc/58/15/77/1166581577.db2.gz NNBVFMSICMPCHM-UHFFFAOYSA-N -1 3 322.332 0.847 20 30 DCEDHM C=CCn1cc(C(=O)N2CCc3c2cccc3-c2nn[n-]n2)nn1 ZINC001588713586 1166581582 /nfs/dbraw/zinc/58/15/82/1166581582.db2.gz NNBVFMSICMPCHM-UHFFFAOYSA-N -1 3 322.332 0.847 20 30 DCEDHM C=C[C@H](CO)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC001588727411 1166582379 /nfs/dbraw/zinc/58/23/79/1166582379.db2.gz AAJHLBFXLSQOTE-VHSXEESVSA-N -1 3 303.322 0.297 20 30 DCEDHM C=C[C@H](CO)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC001588727411 1166582383 /nfs/dbraw/zinc/58/23/83/1166582383.db2.gz AAJHLBFXLSQOTE-VHSXEESVSA-N -1 3 303.322 0.297 20 30 DCEDHM CC#CC[C@@H](CO)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001588738138 1166583451 /nfs/dbraw/zinc/58/34/51/1166583451.db2.gz LHXOOEHHFQQSDD-JTQLQIEISA-N -1 3 302.294 0.961 20 30 DCEDHM CC#CC[C@@H](CO)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001588738138 1166583458 /nfs/dbraw/zinc/58/34/58/1166583458.db2.gz LHXOOEHHFQQSDD-JTQLQIEISA-N -1 3 302.294 0.961 20 30 DCEDHM CC#CC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001588739083 1166584559 /nfs/dbraw/zinc/58/45/59/1166584559.db2.gz YJWFIAZRSTVPCZ-UHFFFAOYSA-N -1 3 311.349 0.370 20 30 DCEDHM CC#CC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001588739083 1166584565 /nfs/dbraw/zinc/58/45/65/1166584565.db2.gz YJWFIAZRSTVPCZ-UHFFFAOYSA-N -1 3 311.349 0.370 20 30 DCEDHM CC(=NNCCCn1ccnc1)c1cc(-c2nnn[n-]2)ccn1 ZINC001588777458 1166586357 /nfs/dbraw/zinc/58/63/57/1166586357.db2.gz YJSZXIMQQUIVNL-UHFFFAOYSA-N -1 3 311.353 0.862 20 30 DCEDHM CC(=NNCCCn1ccnc1)c1cc(-c2nn[n-]n2)ccn1 ZINC001588777458 1166586364 /nfs/dbraw/zinc/58/63/64/1166586364.db2.gz YJSZXIMQQUIVNL-UHFFFAOYSA-N -1 3 311.353 0.862 20 30 DCEDHM CC#CCN(C)[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC001588747649 1166586529 /nfs/dbraw/zinc/58/65/29/1166586529.db2.gz PMNIGVIHOZPXIY-NSHDSACASA-N -1 3 316.390 0.989 20 30 DCEDHM CC#CCN(C)[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC001588747649 1166586539 /nfs/dbraw/zinc/58/65/39/1166586539.db2.gz PMNIGVIHOZPXIY-NSHDSACASA-N -1 3 316.390 0.989 20 30 DCEDHM CC(=O)O[C@@H](C)Sc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001588887073 1166614416 /nfs/dbraw/zinc/61/44/16/1166614416.db2.gz PNTDLIKFQHZJRZ-ZCFIWIBFSA-N -1 3 305.323 0.717 20 30 DCEDHM CC(=O)O[C@@H](C)Sc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001588887073 1166614424 /nfs/dbraw/zinc/61/44/24/1166614424.db2.gz PNTDLIKFQHZJRZ-ZCFIWIBFSA-N -1 3 305.323 0.717 20 30 DCEDHM C[C@H](C#N)CN(C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588931054 1166618878 /nfs/dbraw/zinc/61/88/78/1166618878.db2.gz QLBJWSNWAZBVFM-MRVPVSSYSA-N -1 3 305.367 0.958 20 30 DCEDHM C[C@H](C#N)CN(C)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588931054 1166618882 /nfs/dbraw/zinc/61/88/82/1166618882.db2.gz QLBJWSNWAZBVFM-MRVPVSSYSA-N -1 3 305.367 0.958 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001588931245 1166619565 /nfs/dbraw/zinc/61/95/65/1166619565.db2.gz VHICLQZSUQYRHR-NXEZZACHSA-N -1 3 312.337 0.116 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001588931245 1166619571 /nfs/dbraw/zinc/61/95/71/1166619571.db2.gz VHICLQZSUQYRHR-NXEZZACHSA-N -1 3 312.337 0.116 20 30 DCEDHM C[C@@H](C#N)C(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588930910 1166619872 /nfs/dbraw/zinc/61/98/72/1166619872.db2.gz MFOSLNDEXBUEKB-IUCAKERBSA-N -1 3 300.326 0.338 20 30 DCEDHM C[C@@H](C#N)C(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588930910 1166619875 /nfs/dbraw/zinc/61/98/75/1166619875.db2.gz MFOSLNDEXBUEKB-IUCAKERBSA-N -1 3 300.326 0.338 20 30 DCEDHM CC1(C)CCC[C@H](Cn2c(N)nc(C#N)c2-c2nnn[n-]2)O1 ZINC001590093552 1166771803 /nfs/dbraw/zinc/77/18/03/1166771803.db2.gz JTFVUSBQWJEWSJ-MRVPVSSYSA-N -1 3 302.342 0.865 20 30 DCEDHM CC1(C)CCC[C@H](Cn2c(N)nc(C#N)c2-c2nn[n-]n2)O1 ZINC001590093552 1166771807 /nfs/dbraw/zinc/77/18/07/1166771807.db2.gz JTFVUSBQWJEWSJ-MRVPVSSYSA-N -1 3 302.342 0.865 20 30 DCEDHM CCn1nncc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001590972837 1167063885 /nfs/dbraw/zinc/06/38/85/1167063885.db2.gz CROJNQZYTBWWFS-UHFFFAOYSA-N -1 3 309.293 0.602 20 30 DCEDHM CCn1nncc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001590972837 1167063890 /nfs/dbraw/zinc/06/38/90/1167063890.db2.gz CROJNQZYTBWWFS-UHFFFAOYSA-N -1 3 309.293 0.602 20 30 DCEDHM COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001591279431 1167198980 /nfs/dbraw/zinc/19/89/80/1167198980.db2.gz LEGYXOHYORPDHP-WDEREUQCSA-N -1 3 312.289 0.486 20 30 DCEDHM COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001591279431 1167198986 /nfs/dbraw/zinc/19/89/86/1167198986.db2.gz LEGYXOHYORPDHP-WDEREUQCSA-N -1 3 312.289 0.486 20 30 DCEDHM COC(=O)c1csc(Cn2cnc(C#N)c2-c2nnn[n-]2)n1 ZINC001591307160 1167207342 /nfs/dbraw/zinc/20/73/42/1167207342.db2.gz DDMXFNWBSNZGRM-UHFFFAOYSA-N -1 3 316.306 0.226 20 30 DCEDHM COC[C@@H](OC)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC001591384286 1167255887 /nfs/dbraw/zinc/25/58/87/1167255887.db2.gz QPNSMSLCPFWSNK-LLVKDONJSA-N -1 3 302.294 0.338 20 30 DCEDHM COC[C@@H](OC)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC001591384286 1167255895 /nfs/dbraw/zinc/25/58/95/1167255895.db2.gz QPNSMSLCPFWSNK-LLVKDONJSA-N -1 3 302.294 0.338 20 30 DCEDHM COCCN(CC#N)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001591422053 1167277686 /nfs/dbraw/zinc/27/76/86/1167277686.db2.gz SIRFWCOZIFKDIA-UHFFFAOYSA-N -1 3 322.350 0.027 20 30 DCEDHM COCCN(CC#N)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001591422053 1167277695 /nfs/dbraw/zinc/27/76/95/1167277695.db2.gz SIRFWCOZIFKDIA-UHFFFAOYSA-N -1 3 322.350 0.027 20 30 DCEDHM COc1cc(C=NNC2=NC[C@H](C)N2)ccc1-c1nnn[n-]1 ZINC001591523521 1167322990 /nfs/dbraw/zinc/32/29/90/1167322990.db2.gz WLDNUDDKGVGEFG-QMMMGPOBSA-N -1 3 300.326 0.147 20 30 DCEDHM COc1cc(C=NNC2=NC[C@H](C)N2)ccc1-c1nn[n-]n1 ZINC001591523521 1167322997 /nfs/dbraw/zinc/32/29/97/1167322997.db2.gz WLDNUDDKGVGEFG-QMMMGPOBSA-N -1 3 300.326 0.147 20 30 DCEDHM CSC[C@@](C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001591692179 1167356822 /nfs/dbraw/zinc/35/68/22/1167356822.db2.gz ZUDWPBLAGMQIFG-GFCCVEGCSA-N -1 3 303.351 0.637 20 30 DCEDHM CSC[C@@](C)(C#N)NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001591692179 1167356829 /nfs/dbraw/zinc/35/68/29/1167356829.db2.gz ZUDWPBLAGMQIFG-GFCCVEGCSA-N -1 3 303.351 0.637 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1cn(C)nc1C(F)F ZINC001592340286 1167494814 /nfs/dbraw/zinc/49/48/14/1167494814.db2.gz QEPYVRAEQKZTHN-UHFFFAOYSA-N -1 3 319.279 0.963 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1cn(C)nc1C(F)F ZINC001592340286 1167494817 /nfs/dbraw/zinc/49/48/17/1167494817.db2.gz QEPYVRAEQKZTHN-UHFFFAOYSA-N -1 3 319.279 0.963 20 30 DCEDHM Cn1c(C#N)ccc1C(=O)NOc1cccc(-c2nnn[n-]2)c1 ZINC001592546842 1167554127 /nfs/dbraw/zinc/55/41/27/1167554127.db2.gz ZPIZBEZDXMOQPX-UHFFFAOYSA-N -1 3 309.289 0.801 20 30 DCEDHM Cn1c(C#N)ccc1C(=O)NOc1cccc(-c2nn[n-]n2)c1 ZINC001592546842 1167554130 /nfs/dbraw/zinc/55/41/30/1167554130.db2.gz ZPIZBEZDXMOQPX-UHFFFAOYSA-N -1 3 309.289 0.801 20 30 DCEDHM Cn1cc(C[C@H](CO)Nc2c(C#N)cccc2-c2nnn[n-]2)cn1 ZINC001592571515 1167566557 /nfs/dbraw/zinc/56/65/57/1167566557.db2.gz ZYIXODLQHXENCX-GFCCVEGCSA-N -1 3 324.348 0.487 20 30 DCEDHM Cn1cc(C[C@H](CO)Nc2c(C#N)cccc2-c2nn[n-]n2)cn1 ZINC001592571515 1167566562 /nfs/dbraw/zinc/56/65/62/1167566562.db2.gz ZYIXODLQHXENCX-GFCCVEGCSA-N -1 3 324.348 0.487 20 30 DCEDHM Cn1nncc1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001592611884 1167583694 /nfs/dbraw/zinc/58/36/94/1167583694.db2.gz VOOFCWKHKRUCSN-UHFFFAOYSA-N -1 3 314.338 0.136 20 30 DCEDHM Cn1nncc1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001592611884 1167583701 /nfs/dbraw/zinc/58/37/01/1167583701.db2.gz VOOFCWKHKRUCSN-UHFFFAOYSA-N -1 3 314.338 0.136 20 30 DCEDHM N#C[C@@]1(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CCCOC1 ZINC001592668611 1167591436 /nfs/dbraw/zinc/59/14/36/1167591436.db2.gz GUHAMQOJKMFDAR-HNNXBMFYSA-N -1 3 312.333 0.803 20 30 DCEDHM N#C[C@@]1(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CCCOC1 ZINC001592668611 1167591442 /nfs/dbraw/zinc/59/14/42/1167591442.db2.gz GUHAMQOJKMFDAR-HNNXBMFYSA-N -1 3 312.333 0.803 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1CC(=O)C1 ZINC001592667288 1167591950 /nfs/dbraw/zinc/59/19/50/1167591950.db2.gz WISVLQDDPIGOMG-NSHDSACASA-N -1 3 310.317 0.397 20 30 DCEDHM N#C[C@@]1(F)CCN(C[C@H](O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592670863 1167595221 /nfs/dbraw/zinc/59/52/21/1167595221.db2.gz SOYHCKDUADSMPP-JSGCOSHPSA-N -1 3 302.313 0.838 20 30 DCEDHM N#C[C@@]1(F)CCN(C[C@H](O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592670863 1167595226 /nfs/dbraw/zinc/59/52/26/1167595226.db2.gz SOYHCKDUADSMPP-JSGCOSHPSA-N -1 3 302.313 0.838 20 30 DCEDHM N#CCCN1CCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001592678234 1167599570 /nfs/dbraw/zinc/59/95/70/1167599570.db2.gz QHGKDAGVAOSRDO-UHFFFAOYSA-N -1 3 308.349 0.774 20 30 DCEDHM N#CCCN1CCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001592678234 1167599581 /nfs/dbraw/zinc/59/95/81/1167599581.db2.gz QHGKDAGVAOSRDO-UHFFFAOYSA-N -1 3 308.349 0.774 20 30 DCEDHM N#CCNC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001592678609 1167600043 /nfs/dbraw/zinc/60/00/43/1167600043.db2.gz DZDUAZLRYBHFBL-LLVKDONJSA-N -1 3 314.353 0.303 20 30 DCEDHM N#CCNC[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001592678609 1167600046 /nfs/dbraw/zinc/60/00/46/1167600046.db2.gz DZDUAZLRYBHFBL-LLVKDONJSA-N -1 3 314.353 0.303 20 30 DCEDHM N#Cc1cc(CNCCn2cnc(-c3nnn[n-]3)n2)cs1 ZINC001592688216 1167601428 /nfs/dbraw/zinc/60/14/28/1167601428.db2.gz IKXWIMWNASBVPR-UHFFFAOYSA-N -1 3 301.339 0.181 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H](O)[C@@H]1CCCO1 ZINC001592699118 1167604051 /nfs/dbraw/zinc/60/40/51/1167604051.db2.gz PKFKZOVBHVJSEB-NEPJUHHUSA-N -1 3 300.322 0.690 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H](O)[C@@H]1CCCO1 ZINC001592699118 1167604057 /nfs/dbraw/zinc/60/40/57/1167604057.db2.gz PKFKZOVBHVJSEB-NEPJUHHUSA-N -1 3 300.322 0.690 20 30 DCEDHM O=C(CON=CC1CC1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001592886656 1167658198 /nfs/dbraw/zinc/65/81/98/1167658198.db2.gz GKAZJKZYKUBVFP-UHFFFAOYSA-N -1 3 300.322 0.895 20 30 DCEDHM O=C(CON=CC1CC1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001592886656 1167658201 /nfs/dbraw/zinc/65/82/01/1167658201.db2.gz GKAZJKZYKUBVFP-UHFFFAOYSA-N -1 3 300.322 0.895 20 30 DCEDHM C#C[C@@H](C)N(C)S(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 ZINC001602690363 1169159783 /nfs/dbraw/zinc/15/97/83/1169159783.db2.gz TXLOBKDVWTVRBQ-MRVPVSSYSA-N -1 3 311.392 0.712 20 30 DCEDHM C#CCC1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC001602700539 1169164568 /nfs/dbraw/zinc/16/45/68/1169164568.db2.gz YKOXCSGVYJRLPE-UHFFFAOYSA-N -1 3 312.333 0.252 20 30 DCEDHM C#CCC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC001602700539 1169164574 /nfs/dbraw/zinc/16/45/74/1169164574.db2.gz YKOXCSGVYJRLPE-UHFFFAOYSA-N -1 3 312.333 0.252 20 30 DCEDHM C#CCC(CC#C)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001602698127 1169164945 /nfs/dbraw/zinc/16/49/45/1169164945.db2.gz ZFTPRUVKINVACV-UHFFFAOYSA-N -1 3 323.360 0.453 20 30 DCEDHM C#CCC(CC#C)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001602698127 1169164950 /nfs/dbraw/zinc/16/49/50/1169164950.db2.gz ZFTPRUVKINVACV-UHFFFAOYSA-N -1 3 323.360 0.453 20 30 DCEDHM C#CCN(C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001602716936 1169170596 /nfs/dbraw/zinc/17/05/96/1169170596.db2.gz VYZHOABOOREZOB-CQSZACIVSA-N -1 3 310.361 0.927 20 30 DCEDHM C#CCN1CCCN(C(=O)c2sccc2-c2nnn[n-]2)CC1 ZINC001602721432 1169172267 /nfs/dbraw/zinc/17/22/67/1169172267.db2.gz IZGFYEUDNZFETB-UHFFFAOYSA-N -1 3 316.390 0.709 20 30 DCEDHM C#CCN1CCCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC001602721432 1169172268 /nfs/dbraw/zinc/17/22/68/1169172268.db2.gz IZGFYEUDNZFETB-UHFFFAOYSA-N -1 3 316.390 0.709 20 30 DCEDHM C#CCN1CCCN(C(=O)c2cc(-c3nn[n-]n3)[nH]c2C)CC1 ZINC001602721407 1169172639 /nfs/dbraw/zinc/17/26/39/1169172639.db2.gz IHYLNVGCWSRGKY-UHFFFAOYSA-N -1 3 313.365 0.284 20 30 DCEDHM C=C[C@@H](O)C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001602804521 1169186065 /nfs/dbraw/zinc/18/60/65/1169186065.db2.gz UNBIMDQTNCNLAA-SNVBAGLBSA-N -1 3 320.378 0.124 20 30 DCEDHM C=CCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC001602862351 1169193900 /nfs/dbraw/zinc/19/39/00/1169193900.db2.gz BUTYESPNCYKYTD-UHFFFAOYSA-N -1 3 317.353 0.664 20 30 DCEDHM C=CCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC001602862351 1169193901 /nfs/dbraw/zinc/19/39/01/1169193901.db2.gz BUTYESPNCYKYTD-UHFFFAOYSA-N -1 3 317.353 0.664 20 30 DCEDHM CN(C(=O)c1ccc(-c2nnn[n-]2)n1C)c1cc(C#N)ccn1 ZINC001604656764 1169643031 /nfs/dbraw/zinc/64/30/31/1169643031.db2.gz CGNNTJKKHDHRTB-UHFFFAOYSA-N -1 3 308.305 0.748 20 30 DCEDHM CN(C(=O)c1ccc(-c2nn[n-]n2)n1C)c1cc(C#N)ccn1 ZINC001604656764 1169643035 /nfs/dbraw/zinc/64/30/35/1169643035.db2.gz CGNNTJKKHDHRTB-UHFFFAOYSA-N -1 3 308.305 0.748 20 30 DCEDHM COCCN(C)N=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001605094783 1169820516 /nfs/dbraw/zinc/82/05/16/1169820516.db2.gz DCYGWRJTUPLCFE-UHFFFAOYSA-N -1 3 301.354 0.880 20 30 DCEDHM COCCN(C)N=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001605094783 1169820526 /nfs/dbraw/zinc/82/05/26/1169820526.db2.gz DCYGWRJTUPLCFE-UHFFFAOYSA-N -1 3 301.354 0.880 20 30 DCEDHM COc1cc(C=NN2CCC[C@H]2CO)ccc1-c1nnn[n-]1 ZINC001605204895 1169868059 /nfs/dbraw/zinc/86/80/59/1169868059.db2.gz DJAWJQRVLUQDHX-NSHDSACASA-N -1 3 302.338 0.666 20 30 DCEDHM COc1cc(C=NN2CCC[C@H]2CO)ccc1-c1nn[n-]n1 ZINC001605204895 1169868067 /nfs/dbraw/zinc/86/80/67/1169868067.db2.gz DJAWJQRVLUQDHX-NSHDSACASA-N -1 3 302.338 0.666 20 30 DCEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N1CC(C)(C#N)C1 ZINC001605801549 1170005094 /nfs/dbraw/zinc/00/50/94/1170005094.db2.gz DMDRTHSFOIQAQP-UHFFFAOYSA-N -1 3 318.362 0.709 20 30 DCEDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N1CC(C)(C#N)C1 ZINC001605801549 1170005091 /nfs/dbraw/zinc/00/50/91/1170005091.db2.gz DMDRTHSFOIQAQP-UHFFFAOYSA-N -1 3 318.362 0.709 20 30 DCEDHM Cc1nccn1CCCN(C)c1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001606098103 1170076723 /nfs/dbraw/zinc/07/67/23/1170076723.db2.gz ZTMCZMGTDWCIRR-UHFFFAOYSA-N -1 3 324.352 0.560 20 30 DCEDHM Cc1nccn1CCCN(C)c1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001606098103 1170076728 /nfs/dbraw/zinc/07/67/28/1170076728.db2.gz ZTMCZMGTDWCIRR-UHFFFAOYSA-N -1 3 324.352 0.560 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCc1ccon1 ZINC001606337458 1170162488 /nfs/dbraw/zinc/16/24/88/1170162488.db2.gz IQSNMNBIPYZMBP-LBPRGKRZSA-N -1 3 323.316 0.853 20 30 DCEDHM N#C[C@@H]1CN(C(=O)c2cnccc2-c2nnn[n-]2)CCN1C1CC1 ZINC001606345815 1170165564 /nfs/dbraw/zinc/16/55/64/1170165564.db2.gz PZOIDVZODADEHK-LLVKDONJSA-N -1 3 324.348 0.074 20 30 DCEDHM N#C[C@@H]1CN(C(=O)c2cnccc2-c2nn[n-]n2)CCN1C1CC1 ZINC001606345815 1170165568 /nfs/dbraw/zinc/16/55/68/1170165568.db2.gz PZOIDVZODADEHK-LLVKDONJSA-N -1 3 324.348 0.074 20 30 DCEDHM N#Cc1cnn(C(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)c1N ZINC001606388583 1170177541 /nfs/dbraw/zinc/17/75/41/1170177541.db2.gz AOXMEFJTDZQEGG-UHFFFAOYSA-N -1 3 319.288 0.687 20 30 DCEDHM N#Cc1cnn(C(=O)c2[nH]c3ccccc3c2-c2nn[n-]n2)c1N ZINC001606388583 1170177545 /nfs/dbraw/zinc/17/75/45/1170177545.db2.gz AOXMEFJTDZQEGG-UHFFFAOYSA-N -1 3 319.288 0.687 20 30 DCEDHM O=C1C=COC2(CCN(c3ncncc3-c3nnn[n-]3)CC2)C1 ZINC001607038039 1170361886 /nfs/dbraw/zinc/36/18/86/1170361886.db2.gz ODXDDHFZOLUGDR-UHFFFAOYSA-N -1 3 313.321 0.499 20 30 DCEDHM C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001609019082 1170785378 /nfs/dbraw/zinc/78/53/78/1170785378.db2.gz MTGQUNYPQMQTQI-QMMMGPOBSA-N -1 3 316.296 0.424 20 30 DCEDHM C#C[C@H](C)N(C)C(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001609019082 1170785382 /nfs/dbraw/zinc/78/53/82/1170785382.db2.gz MTGQUNYPQMQTQI-QMMMGPOBSA-N -1 3 316.296 0.424 20 30 DCEDHM C#CCN(CC1CC1)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001609020910 1170786933 /nfs/dbraw/zinc/78/69/33/1170786933.db2.gz RPDDDTXOQFFPPD-UHFFFAOYSA-N -1 3 324.344 0.677 20 30 DCEDHM C#CCN(CC1CC1)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001609020910 1170786934 /nfs/dbraw/zinc/78/69/34/1170786934.db2.gz RPDDDTXOQFFPPD-UHFFFAOYSA-N -1 3 324.344 0.677 20 30 DCEDHM C=C(Cl)CNS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001609052331 1170793657 /nfs/dbraw/zinc/79/36/57/1170793657.db2.gz YAMOECAJSGSJOI-UHFFFAOYSA-N -1 3 300.731 0.293 20 30 DCEDHM C=C(Cl)CNS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001609052331 1170793658 /nfs/dbraw/zinc/79/36/58/1170793658.db2.gz YAMOECAJSGSJOI-UHFFFAOYSA-N -1 3 300.731 0.293 20 30 DCEDHM C=CCN(CCOC)C(=O)COc1ccccc1-c1nnn[n-]1 ZINC001609055435 1170794607 /nfs/dbraw/zinc/79/46/07/1170794607.db2.gz AWEXXFQOXWOYOC-UHFFFAOYSA-N -1 3 317.349 0.907 20 30 DCEDHM C=CCN(CCOC)C(=O)COc1ccccc1-c1nn[n-]n1 ZINC001609055435 1170794609 /nfs/dbraw/zinc/79/46/09/1170794609.db2.gz AWEXXFQOXWOYOC-UHFFFAOYSA-N -1 3 317.349 0.907 20 30 DCEDHM C[C@H](C(=O)OCc1cccc(-c2nnn[n-]2)c1)n1cnc(C#N)n1 ZINC001609072256 1170799425 /nfs/dbraw/zinc/79/94/25/1170799425.db2.gz JAZGOLUGIGIBPR-SECBINFHSA-N -1 3 324.304 0.634 20 30 DCEDHM C[C@H](C(=O)OCc1cccc(-c2nn[n-]n2)c1)n1cnc(C#N)n1 ZINC001609072256 1170799428 /nfs/dbraw/zinc/79/94/28/1170799428.db2.gz JAZGOLUGIGIBPR-SECBINFHSA-N -1 3 324.304 0.634 20 30 DCEDHM CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001609187522 1170854838 /nfs/dbraw/zinc/85/48/38/1170854838.db2.gz HKCPNXJNOUWXFB-SNVBAGLBSA-N -1 3 313.321 0.614 20 30 DCEDHM CC[C@H](CC#N)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001609187522 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Cn1ccc(NCCNc2c(C#N)cccc2-c2nn[n-]n2)n1 ZINC001609480160 1170993924 /nfs/dbraw/zinc/99/39/24/1170993924.db2.gz PKBCMKYGYSMKGN-UHFFFAOYSA-N -1 3 309.337 0.996 20 30 DCEDHM N#CC1(NC(=O)CN2CCc3c2cccc3-c2nnn[n-]2)CCC1 ZINC001609494899 1170996603 /nfs/dbraw/zinc/99/66/03/1170996603.db2.gz PGONNGMJLJGMQD-UHFFFAOYSA-N -1 3 323.360 0.792 20 30 DCEDHM N#CC1(NC(=O)CN2CCc3c2cccc3-c2nn[n-]n2)CCC1 ZINC001609494899 1170996607 /nfs/dbraw/zinc/99/66/07/1170996607.db2.gz PGONNGMJLJGMQD-UHFFFAOYSA-N -1 3 323.360 0.792 20 30 DCEDHM C[C@@H](C(=O)N(C)CCC#N)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC001609631455 1171056204 /nfs/dbraw/zinc/05/62/04/1171056204.db2.gz DJXDIFDNALKKGO-LBPRGKRZSA-N -1 3 310.398 0.228 20 30 DCEDHM Cc1cccc([O-])c1C(=O)NCCNC(=O)C1N=CC=CC1=O ZINC001616347621 1171377185 /nfs/dbraw/zinc/37/71/85/1171377185.db2.gz RFTFBYAEERLMEP-PEZBUJJGSA-N -1 3 315.329 0.957 20 30 DCEDHM COCc1csc(NC(=O)N[C@H]2CCCN([O-])C2=O)n1 ZINC001623148097 1171432906 /nfs/dbraw/zinc/43/29/06/1171432906.db2.gz 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C=CCN(CCOC)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000191971194 416293940 /nfs/dbraw/zinc/29/39/40/416293940.db2.gz PPFJKIOBKHJBOD-UHFFFAOYSA-N -1 3 318.420 0.687 20 30 DCEDHM N#CC1(C(=O)N2CCC[C@]3(C2)NC(=O)[N-]C3=O)CCCCC1 ZINC000195015384 416325160 /nfs/dbraw/zinc/32/51/60/416325160.db2.gz LKTJDLPEGOMJAB-OAHLLOKOSA-N -1 3 304.350 0.661 20 30 DCEDHM COc1ccccc1N1CC[C@@H]([N-]S(=O)(=O)[C@H](C)C#N)C1=O ZINC000416424302 416369594 /nfs/dbraw/zinc/36/95/94/416369594.db2.gz BWPRPACFHTXUOQ-GHMZBOCLSA-N -1 3 323.374 0.632 20 30 DCEDHM C#C[C@H](C)N(C)C(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000491465046 416602352 /nfs/dbraw/zinc/60/23/52/416602352.db2.gz ULLJVVTXADSREA-JTQLQIEISA-N -1 3 315.420 0.690 20 30 DCEDHM C#C[C@@H](CC)NC(=O)NCC[N-]S(=O)(=O)c1cccs1 ZINC000491515113 416603664 /nfs/dbraw/zinc/60/36/64/416603664.db2.gz LVVAKEWDLHNQKZ-JTQLQIEISA-N -1 3 315.420 0.737 20 30 DCEDHM Cc1cnc2nc(C(=O)[N-]c3nn(C(C)(C)C)cc3C#N)nn2c1 ZINC000598817159 416606186 /nfs/dbraw/zinc/60/61/86/416606186.db2.gz KJYRHJCCFQJBQH-UHFFFAOYSA-N -1 3 324.348 1.508 20 30 DCEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000490740965 416574668 /nfs/dbraw/zinc/57/46/68/416574668.db2.gz RWDSPZMYHHITMV-SNVBAGLBSA-N -1 3 316.404 0.565 20 30 DCEDHM N#CC1(NC(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000539423462 416580552 /nfs/dbraw/zinc/58/05/52/416580552.db2.gz AYGPRTNGTQTXCJ-UHFFFAOYSA-N -1 3 324.318 0.045 20 30 DCEDHM N#CCCn1ccc(NC(=O)CNC(=O)c2cccc([O-])c2)n1 ZINC000427464862 416820921 /nfs/dbraw/zinc/82/09/21/416820921.db2.gz KRHUORBONUNVTQ-UHFFFAOYSA-N -1 3 313.317 0.871 20 30 DCEDHM N#CC1(CS(=O)(=O)[N-]C[C@@H]2COCCO2)CCCCC1 ZINC000408306399 417153232 /nfs/dbraw/zinc/15/32/32/417153232.db2.gz CXMMPKYLSPYWFY-GFCCVEGCSA-N -1 3 302.396 0.795 20 30 DCEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC(=O)NC1CCCC1 ZINC000617468655 417224111 /nfs/dbraw/zinc/22/41/11/417224111.db2.gz KSQMVBGGJJWEQO-UHFFFAOYSA-N -1 3 308.363 0.290 20 30 DCEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CCN(CC2CC2)C1 ZINC000617469851 417225162 /nfs/dbraw/zinc/22/51/62/417225162.db2.gz OTBNYOVXRMQYFV-GFCCVEGCSA-N -1 3 306.391 0.716 20 30 DCEDHM CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000569640098 417280739 /nfs/dbraw/zinc/28/07/39/417280739.db2.gz QAHDNIOTCLRFTR-SECBINFHSA-N -1 3 313.354 0.842 20 30 DCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2COCCO2)c(F)c1 ZINC000576987925 417653712 /nfs/dbraw/zinc/65/37/12/417653712.db2.gz SQOHQXDTRZJGGT-SNVBAGLBSA-N -1 3 300.311 0.391 20 30 DCEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659490571 418104376 /nfs/dbraw/zinc/10/43/76/418104376.db2.gz ZRBCWCUYZOTVFG-QMTHXVAHSA-N -1 3 321.381 0.421 20 30 DCEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1nc(CN)cc(=O)[n-]1 ZINC000659490569 418104888 /nfs/dbraw/zinc/10/48/88/418104888.db2.gz ZRBCWCUYZOTVFG-HZMBPMFUSA-N -1 3 321.381 0.421 20 30 DCEDHM Cn1[n-]c(=NC(=O)CNc2ccc(C#N)cn2)cc1OC(F)F ZINC000428127493 262578169 /nfs/dbraw/zinc/57/81/69/262578169.db2.gz XCLDWXUTQMQRGF-UHFFFAOYSA-N -1 3 322.275 0.183 20 30 DCEDHM CCn1nncc1C[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000528439062 267266604 /nfs/dbraw/zinc/26/66/04/267266604.db2.gz FSKMHHQMJCGGBL-UHFFFAOYSA-N -1 3 305.363 0.957 20 30 DCEDHM N#Cc1ccc(C(=O)N[C@@H]2CCCN(CCCO)C2)cc1[O-] ZINC000452383604 268202309 /nfs/dbraw/zinc/20/23/09/268202309.db2.gz PCWKCFKMVPTWSZ-CQSZACIVSA-N -1 3 303.362 0.840 20 30 DCEDHM COC[C@H](CCO)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000494722642 272228986 /nfs/dbraw/zinc/22/89/86/272228986.db2.gz QMTVSNNPTIWVHZ-LBPRGKRZSA-N -1 3 321.377 0.722 20 30 DCEDHM N#Cc1ccc([N+](=O)[O-])c(N2CCC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000279079986 303200831 /nfs/dbraw/zinc/20/08/31/303200831.db2.gz MNPNYWJKSZAKRP-CQSZACIVSA-N -1 3 315.289 0.645 20 30 DCEDHM C#CCCS(=O)(=O)N[C@H]1CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001656930223 1173895062 /nfs/dbraw/zinc/89/50/62/1173895062.db2.gz FMMFIEBBGUPLIE-NSHDSACASA-N -1 3 310.379 0.012 20 30 DCEDHM C[C@]1(c2ccc(C(=O)NCC3(C#N)CC3)cc2)NC(=O)[N-]C1=O ZINC000559610070 332273849 /nfs/dbraw/zinc/27/38/49/332273849.db2.gz NXQUVIKCULLCHY-OAHLLOKOSA-N -1 3 312.329 0.775 20 30 DCEDHM CC(C)[C@H](C#N)NC(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000582064559 333195214 /nfs/dbraw/zinc/19/52/14/333195214.db2.gz JFNZHJVLIFGAJM-NSHDSACASA-N -1 3 313.354 0.768 20 30 DCEDHM C=C(C)CS(=O)(=O)[N-][C@H](C(=O)OCC)C1CCOCC1 ZINC000435423128 338239716 /nfs/dbraw/zinc/23/97/16/338239716.db2.gz RUPOTVPOXYJWQQ-LBPRGKRZSA-N -1 3 305.396 0.840 20 30 DCEDHM C#CCN(CC#C)C(=O)C[N-]S(=O)(=O)c1ccccc1F ZINC000491566117 339867188 /nfs/dbraw/zinc/86/71/88/339867188.db2.gz DRUTZFCGHKSXJF-UHFFFAOYSA-N -1 3 308.334 0.199 20 30 DCEDHM CCC[C@H](CCCS(C)(=O)=O)C(=O)N[C@@H]1CCN([O-])C1=O ZINC001569564116 1161150366 /nfs/dbraw/zinc/15/03/66/1161150366.db2.gz OMBFHGIQTMDDGB-GHMZBOCLSA-N -1 3 320.411 0.334 20 30 DCEDHM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000337862694 534244225 /nfs/dbraw/zinc/24/42/25/534244225.db2.gz MZVOQJZNUYSCEL-WDEREUQCSA-N -1 3 305.400 0.642 20 30 DCEDHM COC[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000160913496 522802982 /nfs/dbraw/zinc/80/29/82/522802982.db2.gz QDCRNGDFMVYJSQ-SNVBAGLBSA-N -1 3 304.755 0.497 20 30 DCEDHM COC(=O)[C@@H](C)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000163388456 523533851 /nfs/dbraw/zinc/53/38/51/523533851.db2.gz HZTWTKXEXWNENK-SNVBAGLBSA-N -1 3 305.334 0.474 20 30 DCEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CC1(CO)COC1 ZINC000129069859 526553930 /nfs/dbraw/zinc/55/39/30/526553930.db2.gz HETUMXUQFIAAJD-UHFFFAOYSA-N -1 3 316.766 0.499 20 30 DCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)C(=O)OC ZINC000360595327 526794157 /nfs/dbraw/zinc/79/41/57/526794157.db2.gz DIKAJIQAFWQOCK-SNVBAGLBSA-N -1 3 318.351 0.314 20 30 DCEDHM C#CCN(CC#N)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000281143884 526872733 /nfs/dbraw/zinc/87/27/33/526872733.db2.gz AYZXREBDCUCYHG-SNVBAGLBSA-N -1 3 311.388 0.400 20 30 DCEDHM C#C[C@@H](C)[N-]S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC000289121914 527225932 /nfs/dbraw/zinc/22/59/32/527225932.db2.gz KQCCMDWOGUOSPN-HTQZYQBOSA-N -1 3 301.286 0.812 20 30 DCEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)CCOCCC(C)C ZINC000283997807 527284302 /nfs/dbraw/zinc/28/43/02/527284302.db2.gz MHVMUHIDAAGFCZ-UHFFFAOYSA-N -1 3 303.384 0.594 20 30 DCEDHM C=CCCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000342043957 527315140 /nfs/dbraw/zinc/31/51/40/527315140.db2.gz VINRDFLBKVOYQO-JTQLQIEISA-N -1 3 315.395 0.993 20 30 DCEDHM CC1(C#N)CN(C(=O)c2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)C1 ZINC000280580816 528846164 /nfs/dbraw/zinc/84/61/64/528846164.db2.gz WWGVVFKQBLMYFM-INIZCTEOSA-N -1 3 312.329 0.727 20 30 DCEDHM C#CCCNC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000735374932 598823557 /nfs/dbraw/zinc/82/35/57/598823557.db2.gz GOFUPDFSSMVNQC-UHFFFAOYSA-N -1 3 301.306 0.394 20 30 DCEDHM C#CCCNC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000735374932 598823559 /nfs/dbraw/zinc/82/35/59/598823559.db2.gz GOFUPDFSSMVNQC-UHFFFAOYSA-N -1 3 301.306 0.394 20 30 DCEDHM N#CCCCOC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737688875 598410424 /nfs/dbraw/zinc/41/04/24/598410424.db2.gz ZTLBGQZUOXOTGR-UHFFFAOYSA-N -1 3 314.305 0.443 20 30 DCEDHM N#CCCCOC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737688875 598410426 /nfs/dbraw/zinc/41/04/26/598410426.db2.gz ZTLBGQZUOXOTGR-UHFFFAOYSA-N -1 3 314.305 0.443 20 30 DCEDHM CCCCc1nc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)no1 ZINC000736466789 598717550 /nfs/dbraw/zinc/71/75/50/598717550.db2.gz NOWYAADEELHKEX-UHFFFAOYSA-N -1 3 314.313 0.291 20 30 DCEDHM CCCCc1nc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)no1 ZINC000736466789 598717551 /nfs/dbraw/zinc/71/75/51/598717551.db2.gz NOWYAADEELHKEX-UHFFFAOYSA-N -1 3 314.313 0.291 20 30 DCEDHM N#CCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737686321 598768091 /nfs/dbraw/zinc/76/80/91/598768091.db2.gz AREFHAWUOPCQAT-UHFFFAOYSA-N -1 3 306.351 0.839 20 30 DCEDHM N#CCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737686321 598768093 /nfs/dbraw/zinc/76/80/93/598768093.db2.gz AREFHAWUOPCQAT-UHFFFAOYSA-N -1 3 306.351 0.839 20 30 DCEDHM C=CCN1CCC(NC(=O)C[C@H]2CN(C(=O)[O-])CCO2)CC1 ZINC000823506262 604841893 /nfs/dbraw/zinc/84/18/93/604841893.db2.gz FFEAZKCJSCIUFL-ZDUSSCGKSA-N -1 3 311.382 0.522 20 30 DCEDHM C#CCN1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC000819701371 606538393 /nfs/dbraw/zinc/53/83/93/606538393.db2.gz DYQUFPVKADJYJN-UHFFFAOYSA-N -1 3 302.363 0.319 20 30 DCEDHM C#CCN1CCN(C(=O)c2cc(-c3nn[n-]n3)cs2)CC1 ZINC000819701371 606538394 /nfs/dbraw/zinc/53/83/94/606538394.db2.gz DYQUFPVKADJYJN-UHFFFAOYSA-N -1 3 302.363 0.319 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819751633 606568411 /nfs/dbraw/zinc/56/84/11/606568411.db2.gz YCKWHOZFSKSQDB-ZETCQYMHSA-N -1 3 307.335 0.776 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819751633 606568412 /nfs/dbraw/zinc/56/84/12/606568412.db2.gz YCKWHOZFSKSQDB-ZETCQYMHSA-N -1 3 307.335 0.776 20 30 DCEDHM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCCC#N ZINC000820788319 606779772 /nfs/dbraw/zinc/77/97/72/606779772.db2.gz DIGCDBZOZAODMV-LLVKDONJSA-N -1 3 313.369 0.471 20 30 DCEDHM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCCC#N ZINC000820788319 606779773 /nfs/dbraw/zinc/77/97/73/606779773.db2.gz DIGCDBZOZAODMV-LLVKDONJSA-N -1 3 313.369 0.471 20 30 DCEDHM N#C[C@@H]1COCCN1C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000822806969 606796768 /nfs/dbraw/zinc/79/67/68/606796768.db2.gz XLDHNWSTTLJQGT-FOQNGQEVSA-N -1 3 310.317 0.631 20 30 DCEDHM N#C[C@@H]1COCCN1C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000822806969 606796770 /nfs/dbraw/zinc/79/67/70/606796770.db2.gz XLDHNWSTTLJQGT-FOQNGQEVSA-N -1 3 310.317 0.631 20 30 DCEDHM N#Cc1cccc(CNC(=O)Cn2ccc(-c3nnn[n-]3)c2)c1 ZINC000826386848 607892047 /nfs/dbraw/zinc/89/20/47/607892047.db2.gz VFFUNMKAOFOSJL-UHFFFAOYSA-N -1 3 307.317 0.856 20 30 DCEDHM N#Cc1cccc(CNC(=O)Cn2ccc(-c3nn[n-]n3)c2)c1 ZINC000826386848 607892048 /nfs/dbraw/zinc/89/20/48/607892048.db2.gz VFFUNMKAOFOSJL-UHFFFAOYSA-N -1 3 307.317 0.856 20 30 DCEDHM N#CC1(NC(=O)c2ccc(-c3nnn[n-]3)cn2)CCSCC1 ZINC000826379886 607909162 /nfs/dbraw/zinc/90/91/62/607909162.db2.gz GCKNCAJAEAVHHP-UHFFFAOYSA-N -1 3 315.362 0.781 20 30 DCEDHM N#CC1(NC(=O)c2ccc(-c3nn[n-]n3)cn2)CCSCC1 ZINC000826379886 607909163 /nfs/dbraw/zinc/90/91/63/607909163.db2.gz GCKNCAJAEAVHHP-UHFFFAOYSA-N -1 3 315.362 0.781 20 30 DCEDHM COCC#CCN1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826147265 608104522 /nfs/dbraw/zinc/10/45/22/608104522.db2.gz RJBYQQUOWOMNEA-HNNXBMFYSA-N -1 3 313.361 0.890 20 30 DCEDHM COCC#CCN1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826147265 608104523 /nfs/dbraw/zinc/10/45/23/608104523.db2.gz RJBYQQUOWOMNEA-HNNXBMFYSA-N -1 3 313.361 0.890 20 30 DCEDHM COc1ccc(C#N)cc1Cn1nc(C)c(-c2nnn[n-]2)c1N ZINC000826186866 608154277 /nfs/dbraw/zinc/15/42/77/608154277.db2.gz NEOZCEWGPKIXNR-UHFFFAOYSA-N -1 3 310.321 0.882 20 30 DCEDHM COc1ccc(C#N)cc1Cn1nc(C)c(-c2nn[n-]n2)c1N ZINC000826186866 608154278 /nfs/dbraw/zinc/15/42/78/608154278.db2.gz NEOZCEWGPKIXNR-UHFFFAOYSA-N -1 3 310.321 0.882 20 30 DCEDHM C=CCN(CC(=O)N(C)OC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823903629 608384278 /nfs/dbraw/zinc/38/42/78/608384278.db2.gz FKDILDZTJLGVMK-UHFFFAOYSA-N -1 3 316.365 0.875 20 30 DCEDHM C=CCN(CC(=O)N(C)OC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823903629 608384280 /nfs/dbraw/zinc/38/42/80/608384280.db2.gz FKDILDZTJLGVMK-UHFFFAOYSA-N -1 3 316.365 0.875 20 30 DCEDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cnccc1C#N ZINC000825938012 608768793 /nfs/dbraw/zinc/76/87/93/608768793.db2.gz MIJRHPYHEZBQBV-UHFFFAOYSA-N -1 3 324.352 0.508 20 30 DCEDHM N#Cc1nc(N)n(Cc2nc3ccccc3[nH]2)c1-c1nnn[n-]1 ZINC000826387603 609175071 /nfs/dbraw/zinc/17/50/71/609175071.db2.gz FPSBBCJUYWYBDH-UHFFFAOYSA-N -1 3 306.293 0.442 20 30 DCEDHM N#Cc1nc(N)n(Cc2nc3ccccc3[nH]2)c1-c1nn[n-]n1 ZINC000826387603 609175073 /nfs/dbraw/zinc/17/50/73/609175073.db2.gz FPSBBCJUYWYBDH-UHFFFAOYSA-N -1 3 306.293 0.442 20 30 DCEDHM CCN(C[C@H](C)C#N)C(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825398967 609200413 /nfs/dbraw/zinc/20/04/13/609200413.db2.gz CMGOAPBHDHYZFP-ZWNOBZJWSA-N -1 3 314.349 0.908 20 30 DCEDHM CCN(C[C@H](C)C#N)C(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825398967 609200414 /nfs/dbraw/zinc/20/04/14/609200414.db2.gz 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/nfs/dbraw/zinc/83/94/27/670839427.db2.gz JWVLUGPQCWXVJJ-QMMMGPOBSA-N -1 3 304.262 0.796 20 30 DCEDHM CCCNC(=O)c1cccc(C(=O)N[C@H]2CCN([O-])C2=O)c1 ZINC000816690057 670840035 /nfs/dbraw/zinc/84/00/35/670840035.db2.gz HBAFPPHHLBXPCE-LBPRGKRZSA-N -1 3 305.334 0.546 20 30 DCEDHM CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN([O-])C2=O)c1 ZINC000816691375 670840861 /nfs/dbraw/zinc/84/08/61/670840861.db2.gz PWRLIWPRMLIDAN-LLVKDONJSA-N -1 3 312.347 0.200 20 30 DCEDHM COc1ccc(C(=O)CCC(=O)N[C@@H]2CCN([O-])C2=O)cc1F ZINC000816693576 670843261 /nfs/dbraw/zinc/84/32/61/670843261.db2.gz NXKPYAJBBNLPMD-LLVKDONJSA-N -1 3 324.308 0.904 20 30 DCEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000816694771 670843921 /nfs/dbraw/zinc/84/39/21/670843921.db2.gz NFMKYMOEVDHIFY-VIFPVBQESA-N -1 3 312.709 0.831 20 30 DCEDHM COc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)c(OC)c1OC ZINC000816694513 670844399 /nfs/dbraw/zinc/84/43/99/670844399.db2.gz HNHFKADWKLKWTC-VIFPVBQESA-N -1 3 310.306 0.432 20 30 DCEDHM C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H]1CCN([O-])C1=O ZINC000816695721 670845276 /nfs/dbraw/zinc/84/52/76/670845276.db2.gz JPTGPCZIIAGZKS-ZJUUUORDSA-N -1 3 315.370 0.596 20 30 DCEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCN([O-])C1=O ZINC000816695373 670845636 /nfs/dbraw/zinc/84/56/36/670845636.db2.gz AMQFOILBBZJCTJ-NSHDSACASA-N -1 3 314.301 0.970 20 30 DCEDHM COc1cc(CCC(=O)N[C@H]2CCN([O-])C2=O)cc(OC)c1 ZINC000816696954 670847407 /nfs/dbraw/zinc/84/74/07/670847407.db2.gz NFAKAXDJTVFKGV-ZDUSSCGKSA-N -1 3 308.334 0.743 20 30 DCEDHM COc1cc(CCC(=O)N[C@@H]2CCN([O-])C2=O)cc(OC)c1 ZINC000816696953 670847429 /nfs/dbraw/zinc/84/74/29/670847429.db2.gz NFAKAXDJTVFKGV-CYBMUJFWSA-N -1 3 308.334 0.743 20 30 DCEDHM CC(C)(C)C(=O)Cn1cc(C(=O)N[C@H]2CCCN([O-])C2=O)nn1 ZINC000816753173 670857459 /nfs/dbraw/zinc/85/74/59/670857459.db2.gz ATFZTTBKDBZVRN-VIFPVBQESA-N -1 3 323.353 0.003 20 30 DCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc2c(c1)NC(=O)CO2 ZINC000816755628 670860785 /nfs/dbraw/zinc/86/07/85/670860785.db2.gz FGZCPOYTPOGGLJ-SECBINFHSA-N -1 3 305.290 0.128 20 30 DCEDHM CC(C)c1n[nH]c(C(=O)N[C@@H]2CCCN([O-])C2=O)c1[N+](=O)[O-] ZINC000816755200 670861065 /nfs/dbraw/zinc/86/10/65/670861065.db2.gz VCDAWPCZSKTLDE-SSDOTTSWSA-N -1 3 311.298 0.551 20 30 DCEDHM Cn1nc(Br)cc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816756804 670861397 /nfs/dbraw/zinc/86/13/97/670861397.db2.gz FOBVPIZWRHSLMW-ZCFIWIBFSA-N -1 3 317.143 0.293 20 30 DCEDHM O=C(CNC(=O)CC1CCCCC1)N[C@@H]1CCCN([O-])C1=O ZINC000816758208 670861674 /nfs/dbraw/zinc/86/16/74/670861674.db2.gz KKEHAQDITXJZPB-GFCCVEGCSA-N -1 3 311.382 0.569 20 30 DCEDHM Cc1oc(-c2cnn(C)c2)nc1C(=O)N[C@@H]1CCCN([O-])C1=O ZINC000816757086 670861951 /nfs/dbraw/zinc/86/19/51/670861951.db2.gz LNXCNXDXAJTNRG-SNVBAGLBSA-N -1 3 319.321 0.494 20 30 DCEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ncn(-c2ccccc2)n1 ZINC000816758403 670863352 /nfs/dbraw/zinc/86/33/52/670863352.db2.gz OQUPEZSFPVUOLZ-NSHDSACASA-N -1 3 301.306 0.377 20 30 DCEDHM CON(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000859403099 671108918 /nfs/dbraw/zinc/10/89/18/671108918.db2.gz UUCVJICOXVKVLV-QMMMGPOBSA-N -1 3 315.326 0.384 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)C1(c2ccc3c(c2)OCCO3)CC1 ZINC000820120878 671166732 /nfs/dbraw/zinc/16/67/32/671166732.db2.gz TWCHUDZUAAFWTR-LLVKDONJSA-N -1 3 318.329 0.596 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)[C@@H]1CC[C@H](Cc2ccccc2)O1 ZINC000820126902 671168558 /nfs/dbraw/zinc/16/85/58/671168558.db2.gz HXADIUNRRFXFEW-MCIONIFRSA-N -1 3 304.346 0.883 20 30 DCEDHM C[C@@H](C(=O)N[C@H]1CCN([O-])C1=O)n1ccc(C(F)(F)F)n1 ZINC000820128660 671168838 /nfs/dbraw/zinc/16/88/38/671168838.db2.gz ZPLHAVOCFBYVEO-BQBZGAKWSA-N -1 3 306.244 0.569 20 30 DCEDHM O=C(N[C@H]1CCN([O-])C1=O)[C@@H]1CSC(c2ccccc2)=N1 ZINC000820130677 671169662 /nfs/dbraw/zinc/16/96/62/671169662.db2.gz AJSXKDLAWNYPRA-QWRGUYRKSA-N -1 3 305.359 0.655 20 30 DCEDHM O=C(Cc1cc(C(F)(F)F)ccn1)N[C@@H]1CCN([O-])C1=O ZINC000820137720 671170842 /nfs/dbraw/zinc/17/08/42/671170842.db2.gz QMOPKSDQPZXHPY-SECBINFHSA-N -1 3 303.240 0.749 20 30 DCEDHM COCCCOc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)cc1 ZINC000820147972 671171742 /nfs/dbraw/zinc/17/17/42/671171742.db2.gz BPUXTLGQLBOCTD-ZDUSSCGKSA-N -1 3 308.334 0.822 20 30 DCEDHM N#Cc1ccc(N2CCC[C@@H]2C(=O)N[C@@H]2CCN([O-])C2=O)cc1 ZINC000820157449 671173793 /nfs/dbraw/zinc/17/37/93/671173793.db2.gz XGRKXZITFXULFN-ZIAGYGMSSA-N -1 3 314.345 0.633 20 30 DCEDHM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820173934 671174608 /nfs/dbraw/zinc/17/46/08/671174608.db2.gz FBAPBGYZNXEKHD-DTWKUNHWSA-N -1 3 315.395 0.040 20 30 DCEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000820174149 671174749 /nfs/dbraw/zinc/17/47/49/671174749.db2.gz GQPNRMRWEVLDTI-LURJTMIESA-N -1 3 323.290 0.319 20 30 DCEDHM Cc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCN([O-])C1=O ZINC000820180090 671176326 /nfs/dbraw/zinc/17/63/26/671176326.db2.gz VFKJBARINZCFOH-LBPRGKRZSA-N -1 3 300.318 0.901 20 30 DCEDHM COCCCOCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826156813 671481978 /nfs/dbraw/zinc/48/19/78/671481978.db2.gz UQGHBHBFTMBMFO-UHFFFAOYSA-N -1 3 316.321 0.730 20 30 DCEDHM COCCCOCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000826156813 671481979 /nfs/dbraw/zinc/48/19/79/671481979.db2.gz UQGHBHBFTMBMFO-UHFFFAOYSA-N -1 3 316.321 0.730 20 30 DCEDHM Cc1nn(CCOc2ccccc2C#N)c(N)c1-c1nnn[n-]1 ZINC000826334748 671484053 /nfs/dbraw/zinc/48/40/53/671484053.db2.gz IBGRFFWXDFBXNA-UHFFFAOYSA-N -1 3 310.321 0.905 20 30 DCEDHM Cc1nn(CCOc2ccccc2C#N)c(N)c1-c1nn[n-]n1 ZINC000826334748 671484054 /nfs/dbraw/zinc/48/40/54/671484054.db2.gz IBGRFFWXDFBXNA-UHFFFAOYSA-N -1 3 310.321 0.905 20 30 DCEDHM C[C@H]1CC[C@H](NC(=O)c2cn[n-]n2)CN1c1ccnc(C#N)n1 ZINC001039821691 694437005 /nfs/dbraw/zinc/43/70/05/694437005.db2.gz HMQCXLUUJCLHMH-UWVGGRQHSA-N -1 3 312.337 0.254 20 30 DCEDHM C[C@@H]1CC[C@H](NC(=O)c2cn[n-]n2)CN1c1cnc(C#N)cn1 ZINC001039824512 694437658 /nfs/dbraw/zinc/43/76/58/694437658.db2.gz VXBMPVLESKCABM-ZJUUUORDSA-N -1 3 312.337 0.254 20 30 DCEDHM C#Cc1cncc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)[C@@H]2C)c1 ZINC001012053677 691688645 /nfs/dbraw/zinc/68/86/45/691688645.db2.gz ZFWJSDNQBIVHTB-GWCFXTLKSA-N -1 3 324.344 0.214 20 30 DCEDHM C#CCCN1CCCO[C@H](CNC(=O)c2ncccc2[O-])C1 ZINC001073583669 694746667 /nfs/dbraw/zinc/74/66/67/694746667.db2.gz BOCILBKVHZQRJI-CYBMUJFWSA-N -1 3 303.362 0.631 20 30 DCEDHM C=C(C)[C@@H](CC(=O)NCC[C@H](C)NC(=O)c1cn[n-]n1)OCC ZINC001076820954 695065678 /nfs/dbraw/zinc/06/56/78/695065678.db2.gz RILQTRKKOXGANW-WCQYABFASA-N -1 3 323.397 0.801 20 30 DCEDHM CCCC[C@@H](CNCc1nc(=O)n(C)[n-]1)NC(=O)C#CC(C)C ZINC001570810643 1162623259 /nfs/dbraw/zinc/62/32/59/1162623259.db2.gz UDTXRBZJQUABSY-ZDUSSCGKSA-N -1 3 321.425 0.532 20 30 DCEDHM C=C(C)CN(CCNC(=O)CCc1n[nH]c(=O)[n-]c1=O)C1CC1 ZINC001691215027 1157614150 /nfs/dbraw/zinc/61/41/50/1157614150.db2.gz CHRRYKHBMUALNO-UHFFFAOYSA-N -1 3 321.381 0.372 20 30 DCEDHM C#CCNCc1cc(=O)[n-]c(CNC(=O)[C@H](C)CSC)n1 ZINC001691414849 1157666033 /nfs/dbraw/zinc/66/60/33/1157666033.db2.gz ILBMKYXCOIJAEM-SNVBAGLBSA-N -1 3 308.407 0.520 20 30 DCEDHM C#CCNCc1cc(=O)[n-]c(CNC(=O)[C@H](CC(C)C)OC)n1 ZINC001691421523 1157670200 /nfs/dbraw/zinc/67/02/00/1157670200.db2.gz GEGHWQSXMJUDND-ZDUSSCGKSA-N -1 3 320.393 0.582 20 30 DCEDHM C=CCOCC(=O)NC[C@H](C)N(C)C(=O)c1c(C)nc[n-]c1=O ZINC001571814421 1162940889 /nfs/dbraw/zinc/94/08/89/1162940889.db2.gz KINUAWYJXWUGFY-JTQLQIEISA-N -1 3 322.365 0.270 20 30 DCEDHM C=CCOCC(=O)N[C@@H]1CC[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001278551926 1159139137 /nfs/dbraw/zinc/13/91/37/1159139137.db2.gz KHOWVAGFVUTIFQ-GHMZBOCLSA-N -1 3 309.370 0.087 20 30 DCEDHM CO[C@@H]1CCC[C@H]1C(=O)NCc1nc(CNCC#N)cc(=O)[n-]1 ZINC001565990081 1159936169 /nfs/dbraw/zinc/93/61/69/1159936169.db2.gz FHSXGLKXLWTMTP-VXGBXAGGSA-N -1 3 319.365 0.227 20 30 DCEDHM C=CCC[C@H](C)N1CC(NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001567809691 1160486776 /nfs/dbraw/zinc/48/67/76/1160486776.db2.gz DRZQWGBFDYMELF-LBPRGKRZSA-N -1 3 320.393 0.082 20 30 DCEDHM CC#CCN1CC[C@H](N(C)C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001567913488 1160530330 /nfs/dbraw/zinc/53/03/30/1160530330.db2.gz CEIWQOLSBFMGEF-LBPRGKRZSA-N -1 3 321.381 0.026 20 30 DCEDHM C[C@H](C#N)C(=O)N1CCCC[C@H]1CCNCc1n[nH]c(=O)[n-]1 ZINC001568379393 1160638029 /nfs/dbraw/zinc/63/80/29/1160638029.db2.gz QFUSBKMNQVAKKC-MNOVXSKESA-N -1 3 306.370 0.531 20 30 DCEDHM Cn1cc(C(=O)N[C@@H]2CCN([O-])C2=O)c(-c2cccnc2)n1 ZINC001569560508 1161149778 /nfs/dbraw/zinc/14/97/78/1161149778.db2.gz JJEGFNNUYZTPKB-LLVKDONJSA-N -1 3 301.306 0.202 20 30 DCEDHM CC[C@@H](NC(C)=O)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001576993501 1164576240 /nfs/dbraw/zinc/57/62/40/1164576240.db2.gz MWIYUXHAOAHFFW-GFCCVEGCSA-N -1 3 313.321 0.592 20 30 DCEDHM CC[C@@H](NC(C)=O)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001576993501 1164576242 /nfs/dbraw/zinc/57/62/42/1164576242.db2.gz MWIYUXHAOAHFFW-GFCCVEGCSA-N -1 3 313.321 0.592 20 30 DCEDHM CN(C[C@@H](O)c1cccc(C#N)c1)c1cc(-c2nnn[n-]2)cnn1 ZINC001579063465 1165196936 /nfs/dbraw/zinc/19/69/36/1165196936.db2.gz CJSTUIFJZBPYJH-CYBMUJFWSA-N -1 3 322.332 0.698 20 30 DCEDHM CN(C[C@@H](O)c1cccc(C#N)c1)c1cc(-c2nn[n-]n2)cnn1 ZINC001579063465 1165196941 /nfs/dbraw/zinc/19/69/41/1165196941.db2.gz CJSTUIFJZBPYJH-CYBMUJFWSA-N -1 3 322.332 0.698 20 30 DCEDHM COc1nccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)n1 ZINC001580143070 1165517207 /nfs/dbraw/zinc/51/72/07/1165517207.db2.gz VOALOBSYPILYOY-UHFFFAOYSA-N -1 3 322.288 0.789 20 30 DCEDHM COc1nccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)n1 ZINC001580143070 1165517214 /nfs/dbraw/zinc/51/72/14/1165517214.db2.gz VOALOBSYPILYOY-UHFFFAOYSA-N -1 3 322.288 0.789 20 30 DCEDHM COc1nccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)n1 ZINC001580142422 1165517855 /nfs/dbraw/zinc/51/78/55/1165517855.db2.gz NCLKYYXTGWNIPY-UHFFFAOYSA-N -1 3 322.288 0.789 20 30 DCEDHM COc1nccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)n1 ZINC001580142422 1165517862 /nfs/dbraw/zinc/51/78/62/1165517862.db2.gz NCLKYYXTGWNIPY-UHFFFAOYSA-N -1 3 322.288 0.789 20 30 DCEDHM Cc1ccc(-c2nnn[n-]2)c(N(C)CCNC(=O)[C@H](C)C#N)n1 ZINC001581061834 1165783072 /nfs/dbraw/zinc/78/30/72/1165783072.db2.gz WGNXEBHSJWKDHF-SECBINFHSA-N -1 3 314.353 0.282 20 30 DCEDHM Cc1ccc(-c2nn[n-]n2)c(N(C)CCNC(=O)[C@H](C)C#N)n1 ZINC001581061834 1165783079 /nfs/dbraw/zinc/78/30/79/1165783079.db2.gz WGNXEBHSJWKDHF-SECBINFHSA-N -1 3 314.353 0.282 20 30 DCEDHM Cc1nc(N[C@@H](C)CNC(=O)[C@@H](C)C#N)ccc1-c1nn[n-]n1 ZINC001581491720 1165834215 /nfs/dbraw/zinc/83/42/15/1165834215.db2.gz BTSQEKRVGWGNLY-IUCAKERBSA-N -1 3 314.353 0.646 20 30 DCEDHM Cc1nsc(N[C@H](C)CNC(=O)[C@@H](C)C#N)c1-c1nnn[n-]1 ZINC001581691662 1165859807 /nfs/dbraw/zinc/85/98/07/1165859807.db2.gz JMFRCXUEIFXHIO-NKWVEPMBSA-N -1 3 320.382 0.708 20 30 DCEDHM N#CCC1(O)CN(C(=O)Nc2cc(F)cc(-c3nnn[n-]3)c2)C1 ZINC001581858083 1165890456 /nfs/dbraw/zinc/89/04/56/1165890456.db2.gz PLKZJNZEUUVIFS-UHFFFAOYSA-N -1 3 317.284 0.498 20 30 DCEDHM N#CCC1(O)CN(C(=O)Nc2cc(F)cc(-c3nn[n-]n3)c2)C1 ZINC001581858083 1165890460 /nfs/dbraw/zinc/89/04/60/1165890460.db2.gz PLKZJNZEUUVIFS-UHFFFAOYSA-N -1 3 317.284 0.498 20 30 DCEDHM N#CCC1(O)CN(C(=O)c2[nH]c3ccccc3c2-c2nnn[n-]2)C1 ZINC001581858264 1165891852 /nfs/dbraw/zinc/89/18/52/1165891852.db2.gz XQCJJIOTPASRFD-UHFFFAOYSA-N -1 3 323.316 0.449 20 30 DCEDHM N#Cc1cc(=O)n(CCOc2ccccc2-c2nnn[n-]2)cn1 ZINC001581863555 1165893867 /nfs/dbraw/zinc/89/38/67/1165893867.db2.gz UVOQQGKFFXOZSO-UHFFFAOYSA-N -1 3 309.289 0.374 20 30 DCEDHM N#Cc1cc(=O)n(CCOc2ccccc2-c2nn[n-]n2)cn1 ZINC001581863555 1165893872 /nfs/dbraw/zinc/89/38/72/1165893872.db2.gz UVOQQGKFFXOZSO-UHFFFAOYSA-N -1 3 309.289 0.374 20 30 DCEDHM N#Cc1cccc(NC2CN(c3nnccc3-c3nnn[n-]3)C2)c1 ZINC001581875861 1165896008 /nfs/dbraw/zinc/89/60/08/1165896008.db2.gz UGXGTGUIIFTQMN-UHFFFAOYSA-N -1 3 319.332 0.829 20 30 DCEDHM N#Cc1cccc(NC2CN(c3nnccc3-c3nn[n-]n3)C2)c1 ZINC001581875861 1165896015 /nfs/dbraw/zinc/89/60/15/1165896015.db2.gz UGXGTGUIIFTQMN-UHFFFAOYSA-N -1 3 319.332 0.829 20 30 DCEDHM C#C[C@@H](CC)NS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588325989 1166520379 /nfs/dbraw/zinc/52/03/79/1166520379.db2.gz AZFXDVJOFKSFGK-LBPRGKRZSA-N -1 3 305.363 0.698 20 30 DCEDHM C#C[C@@H](CC)NS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588325989 1166520388 /nfs/dbraw/zinc/52/03/88/1166520388.db2.gz AZFXDVJOFKSFGK-LBPRGKRZSA-N -1 3 305.363 0.698 20 30 DCEDHM C#C[C@H](C)NCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588326054 1166522034 /nfs/dbraw/zinc/52/20/34/1166522034.db2.gz CRTMMPCZQZNTBB-JTQLQIEISA-N -1 3 305.363 0.252 20 30 DCEDHM C#CC1CCN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001588330439 1166527270 /nfs/dbraw/zinc/52/72/70/1166527270.db2.gz CJBLBIHALHNGKA-AWEZNQCLSA-N -1 3 311.345 0.772 20 30 DCEDHM C#CC1CCN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001588330439 1166527277 /nfs/dbraw/zinc/52/72/77/1166527277.db2.gz CJBLBIHALHNGKA-AWEZNQCLSA-N -1 3 311.345 0.772 20 30 DCEDHM C#CC[C@H](CO)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588332325 1166529742 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C=CCCO[C@H](C)C(=O)N[C@@H](C)CNC(=O)c1cnc[n-]c1=O ZINC001584048447 1166302410 /nfs/dbraw/zinc/30/24/10/1166302410.db2.gz MATFULQDRHOYCE-WDEREUQCSA-N -1 3 322.365 0.398 20 30 DCEDHM C=CCOCC(=O)NC[C@@H]1CCN1C(=O)c1c(C)nc[n-]c1=O ZINC001584611034 1166338434 /nfs/dbraw/zinc/33/84/34/1166338434.db2.gz MJKXHKIOHIHKSV-NSHDSACASA-N -1 3 320.349 0.024 20 30 DCEDHM C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588324948 1166520849 /nfs/dbraw/zinc/52/08/49/1166520849.db2.gz BECRIHASBHFQON-MRVPVSSYSA-N -1 3 309.326 0.648 20 30 DCEDHM C#C[C@H](C)N(C)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588325562 1166521081 /nfs/dbraw/zinc/52/10/81/1166521081.db2.gz ORKMNHXXQQMGGG-VIFPVBQESA-N -1 3 323.353 0.789 20 30 DCEDHM C#C[C@H](C)N(C)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588325562 1166521084 /nfs/dbraw/zinc/52/10/84/1166521084.db2.gz ORKMNHXXQQMGGG-VIFPVBQESA-N -1 3 323.353 0.789 20 30 DCEDHM C#C[C@H](C)NC(=O)N(C)C[C@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001588326144 1166522628 /nfs/dbraw/zinc/52/26/28/1166522628.db2.gz FOLOTDFMMTXKJH-GWCFXTLKSA-N -1 3 314.349 0.563 20 30 DCEDHM C#C[C@H](C)NC(=O)N(C)C[C@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001588326144 1166522634 /nfs/dbraw/zinc/52/26/34/1166522634.db2.gz FOLOTDFMMTXKJH-GWCFXTLKSA-N -1 3 314.349 0.563 20 30 DCEDHM C#C[C@H](CO)NC(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC001588327546 1166522877 /nfs/dbraw/zinc/52/28/77/1166522877.db2.gz LIWIVVJLGDTFNM-LLVKDONJSA-N -1 3 315.333 0.134 20 30 DCEDHM C#C[C@H](CO)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001588327546 1166522881 /nfs/dbraw/zinc/52/28/81/1166522881.db2.gz LIWIVVJLGDTFNM-LLVKDONJSA-N -1 3 315.333 0.134 20 30 DCEDHM C#C[C@H](CO)NC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1F ZINC001588327577 1166523267 /nfs/dbraw/zinc/52/32/67/1166523267.db2.gz MBYMLKKSVZVBIO-ZCFIWIBFSA-N -1 3 308.248 0.261 20 30 DCEDHM C#C[C@H](CO)NC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1F ZINC001588327577 1166523270 /nfs/dbraw/zinc/52/32/70/1166523270.db2.gz MBYMLKKSVZVBIO-ZCFIWIBFSA-N -1 3 308.248 0.261 20 30 DCEDHM C#C[C@H]1COCCN1C(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588330624 1166527057 /nfs/dbraw/zinc/52/70/57/1166527057.db2.gz HNSMFRBNJBKBJE-JTQLQIEISA-N -1 3 313.321 0.436 20 30 DCEDHM C#C[C@H]1COCCN1C(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588330624 1166527065 /nfs/dbraw/zinc/52/70/65/1166527065.db2.gz HNSMFRBNJBKBJE-JTQLQIEISA-N -1 3 313.321 0.436 20 30 DCEDHM C#CC1(F)CN(c2nnc(CC)c(CC)c2-c2nnn[n-]2)C1 ZINC001588333343 1166528940 /nfs/dbraw/zinc/52/89/40/1166528940.db2.gz MSPBCZYHIQAVMG-UHFFFAOYSA-N -1 3 301.329 0.943 20 30 DCEDHM C#CC1(F)CN(c2nnc(CC)c(CC)c2-c2nn[n-]n2)C1 ZINC001588333343 1166528945 /nfs/dbraw/zinc/52/89/45/1166528945.db2.gz MSPBCZYHIQAVMG-UHFFFAOYSA-N -1 3 301.329 0.943 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)cc(N(C)C)c1 ZINC001588332226 1166530032 /nfs/dbraw/zinc/53/00/32/1166530032.db2.gz XPBXDXFAIDWKEP-LBPRGKRZSA-N -1 3 314.349 0.047 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)cc(N(C)C)c1 ZINC001588332226 1166530041 /nfs/dbraw/zinc/53/00/41/1166530041.db2.gz XPBXDXFAIDWKEP-LBPRGKRZSA-N -1 3 314.349 0.047 20 30 DCEDHM C#C[C@@H]1CCCN(c2nnc(-c3ccc(-c4nnn[n-]4)[nH]3)n2C)C1 ZINC001588332814 1166530111 /nfs/dbraw/zinc/53/01/11/1166530111.db2.gz SOSLCOQKUHLPPL-SNVBAGLBSA-N -1 3 323.364 0.840 20 30 DCEDHM C#C[C@@H]1CCCN(c2nnc(-c3ccc(-c4nn[n-]n4)[nH]3)n2C)C1 ZINC001588332814 1166530118 /nfs/dbraw/zinc/53/01/18/1166530118.db2.gz SOSLCOQKUHLPPL-SNVBAGLBSA-N -1 3 323.364 0.840 20 30 DCEDHM C#CCC1(NC(=O)CNc2ccc(-c3nnn[n-]3)cn2)CCC1 ZINC001588334665 1166531159 /nfs/dbraw/zinc/53/11/59/1166531159.db2.gz FPLJRCPFQVIVNL-UHFFFAOYSA-N -1 3 311.349 0.736 20 30 DCEDHM C#CCC1(NC(=O)CNc2ccc(-c3nn[n-]n3)cn2)CCC1 ZINC001588334665 1166531168 /nfs/dbraw/zinc/53/11/68/1166531168.db2.gz FPLJRCPFQVIVNL-UHFFFAOYSA-N -1 3 311.349 0.736 20 30 DCEDHM C#CC[C@H](COC)Nc1ccc([N+](=O)[O-])c(N)c1-c1nnn[n-]1 ZINC001588334011 1166533347 /nfs/dbraw/zinc/53/33/47/1166533347.db2.gz LLUGKLQRJOIFSZ-MRVPVSSYSA-N -1 3 317.309 0.807 20 30 DCEDHM C#CC[C@H](COC)Nc1ccc([N+](=O)[O-])c(N)c1-c1nn[n-]n1 ZINC001588334011 1166533355 /nfs/dbraw/zinc/53/33/55/1166533355.db2.gz LLUGKLQRJOIFSZ-MRVPVSSYSA-N -1 3 317.309 0.807 20 30 DCEDHM C#CCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001588346599 1166535024 /nfs/dbraw/zinc/53/50/24/1166535024.db2.gz CPUGNGCHQIYBDC-UHFFFAOYSA-N -1 3 311.754 0.822 20 30 DCEDHM C#CCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001588346599 1166535030 /nfs/dbraw/zinc/53/50/30/1166535030.db2.gz CPUGNGCHQIYBDC-UHFFFAOYSA-N -1 3 311.754 0.822 20 30 DCEDHM C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588349917 1166541472 /nfs/dbraw/zinc/54/14/72/1166541472.db2.gz RSVQGWHKZXBAHE-UHFFFAOYSA-N -1 3 322.328 0.290 20 30 DCEDHM C#CCN(CC#CC)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588349917 1166541479 /nfs/dbraw/zinc/54/14/79/1166541479.db2.gz RSVQGWHKZXBAHE-UHFFFAOYSA-N -1 3 322.328 0.290 20 30 DCEDHM C#CCN1CCN(c2nc(C)c(-c3nnn[n-]3)cc2Cl)CC1 ZINC001588353047 1166544197 /nfs/dbraw/zinc/54/41/97/1166544197.db2.gz FAYLOENSNCKCII-UHFFFAOYSA-N -1 3 317.784 0.979 20 30 DCEDHM C#CCN1CCN(c2nc(C)c(-c3nn[n-]n3)cc2Cl)CC1 ZINC001588353047 1166544200 /nfs/dbraw/zinc/54/42/00/1166544200.db2.gz FAYLOENSNCKCII-UHFFFAOYSA-N -1 3 317.784 0.979 20 30 DCEDHM C#CCOCCNC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588363495 1166548228 /nfs/dbraw/zinc/54/82/28/1166548228.db2.gz JEXRZXJPWHYWHK-UHFFFAOYSA-N -1 3 301.306 0.255 20 30 DCEDHM C#CCOCCNC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588363495 1166548233 /nfs/dbraw/zinc/54/82/33/1166548233.db2.gz JEXRZXJPWHYWHK-UHFFFAOYSA-N -1 3 301.306 0.255 20 30 DCEDHM C=C(C)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC001588430080 1166556221 /nfs/dbraw/zinc/55/62/21/1166556221.db2.gz LRWZVIRYTYFCEH-UHFFFAOYSA-N -1 3 304.285 0.637 20 30 DCEDHM C=C(C)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC001588430080 1166556229 /nfs/dbraw/zinc/55/62/29/1166556229.db2.gz LRWZVIRYTYFCEH-UHFFFAOYSA-N -1 3 304.285 0.637 20 30 DCEDHM C=C[C@H](COC)NS(=O)(=O)c1c(C)cccc1-c1nnn[n-]1 ZINC001588525206 1166560196 /nfs/dbraw/zinc/56/01/96/1166560196.db2.gz DANXUTAHQHLOHZ-SNVBAGLBSA-N -1 3 323.378 0.654 20 30 DCEDHM C=C[C@H](COC)NS(=O)(=O)c1c(C)cccc1-c1nn[n-]n1 ZINC001588525206 1166560202 /nfs/dbraw/zinc/56/02/02/1166560202.db2.gz DANXUTAHQHLOHZ-SNVBAGLBSA-N -1 3 323.378 0.654 20 30 DCEDHM C=C[C@H](O)C(=O)N1CCO[C@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588526379 1166560553 /nfs/dbraw/zinc/56/05/53/1166560553.db2.gz VGOHCVXVXZPBLZ-STQMWFEESA-N -1 3 315.333 0.314 20 30 DCEDHM C=C[C@H](O)C(=O)N1CCO[C@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588526379 1166560559 /nfs/dbraw/zinc/56/05/59/1166560559.db2.gz VGOHCVXVXZPBLZ-STQMWFEESA-N -1 3 315.333 0.314 20 30 DCEDHM C=C[C@H](O)C(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588525036 1166561170 /nfs/dbraw/zinc/56/11/70/1166561170.db2.gz APKSEZBGXDFGAZ-QWHCGFSZSA-N -1 3 315.333 0.314 20 30 DCEDHM C=C[C@H](O)C(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588525036 1166561173 /nfs/dbraw/zinc/56/11/73/1166561173.db2.gz APKSEZBGXDFGAZ-QWHCGFSZSA-N -1 3 315.333 0.314 20 30 DCEDHM C=CCC[N@@H+](C)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001588602907 1166569445 /nfs/dbraw/zinc/56/94/45/1166569445.db2.gz BZFOPRLWSKHHKE-UHFFFAOYSA-N -1 3 300.326 0.623 20 30 DCEDHM C=CCC[N@H+](C)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001588602907 1166569452 /nfs/dbraw/zinc/56/94/52/1166569452.db2.gz BZFOPRLWSKHHKE-UHFFFAOYSA-N -1 3 300.326 0.623 20 30 DCEDHM C=CCN(C)C(=O)C(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001588625056 1166571188 /nfs/dbraw/zinc/57/11/88/1166571188.db2.gz CCMJERHCUPOFQU-UHFFFAOYSA-N -1 3 312.333 0.400 20 30 DCEDHM C=CCN(C)C(=O)C(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001588625056 1166571193 /nfs/dbraw/zinc/57/11/93/1166571193.db2.gz CCMJERHCUPOFQU-UHFFFAOYSA-N -1 3 312.333 0.400 20 30 DCEDHM C=CCNC(=O)COC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588659093 1166576031 /nfs/dbraw/zinc/57/60/31/1166576031.db2.gz ZQIFWESWAZZRBJ-UHFFFAOYSA-N -1 3 305.269 0.465 20 30 DCEDHM C=CCNC(=O)COC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588659093 1166576036 /nfs/dbraw/zinc/57/60/36/1166576036.db2.gz ZQIFWESWAZZRBJ-UHFFFAOYSA-N -1 3 305.269 0.465 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1sccc1-c1nnn[n-]1 ZINC001588659674 1166576633 /nfs/dbraw/zinc/57/66/33/1166576633.db2.gz PXYJRRDGVJBJMT-ZETCQYMHSA-N -1 3 307.335 0.776 20 30 DCEDHM C=CCOCC(=O)NCCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001588676381 1166578698 /nfs/dbraw/zinc/57/86/98/1166578698.db2.gz SFDGEYGEKYRIOR-UHFFFAOYSA-N -1 3 317.353 0.383 20 30 DCEDHM C=CCOCC(=O)NCCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001588676381 1166578703 /nfs/dbraw/zinc/57/87/03/1166578703.db2.gz SFDGEYGEKYRIOR-UHFFFAOYSA-N -1 3 317.353 0.383 20 30 DCEDHM CC#CC[C@H](CO)Nc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001588738140 1166585253 /nfs/dbraw/zinc/58/52/53/1166585253.db2.gz LHXOOEHHFQQSDD-SNVBAGLBSA-N -1 3 302.294 0.961 20 30 DCEDHM CC#CC[C@H](CO)Nc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001588738140 1166585260 /nfs/dbraw/zinc/58/52/60/1166585260.db2.gz LHXOOEHHFQQSDD-SNVBAGLBSA-N -1 3 302.294 0.961 20 30 DCEDHM CC#CC[C@H](CO)NC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588738646 1166585712 /nfs/dbraw/zinc/58/57/12/1166585712.db2.gz PTOSTJMXKYMQKN-CYBMUJFWSA-N -1 3 313.361 0.988 20 30 DCEDHM CC#CC[C@H](CO)NC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588738646 1166585716 /nfs/dbraw/zinc/58/57/16/1166585716.db2.gz PTOSTJMXKYMQKN-CYBMUJFWSA-N -1 3 313.361 0.988 20 30 DCEDHM CC(=O)c1ccc(-c2nnn[n-]2)c(NCCn2cnc(C#N)n2)c1 ZINC001588908390 1166616791 /nfs/dbraw/zinc/61/67/91/1166616791.db2.gz RGDBQNANYLCBDY-UHFFFAOYSA-N -1 3 323.320 0.645 20 30 DCEDHM CC(=O)c1ccc(-c2nn[n-]n2)c(NCCn2cnc(C#N)n2)c1 ZINC001588908390 1166616799 /nfs/dbraw/zinc/61/67/99/1166616799.db2.gz RGDBQNANYLCBDY-UHFFFAOYSA-N -1 3 323.320 0.645 20 30 DCEDHM CC(C)(CC#N)CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001589267371 1166641098 /nfs/dbraw/zinc/64/10/98/1166641098.db2.gz SREBVYPNSBCLKM-GFCCVEGCSA-N -1 3 314.349 0.956 20 30 DCEDHM CC(C)(CC#N)CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001589267371 1166641108 /nfs/dbraw/zinc/64/11/08/1166641108.db2.gz SREBVYPNSBCLKM-GFCCVEGCSA-N -1 3 314.349 0.956 20 30 DCEDHM CC(C)C[C@H](C#N)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589536922 1166664311 /nfs/dbraw/zinc/66/43/11/1166664311.db2.gz JKEUUDBTIAHJJM-SNVBAGLBSA-N -1 3 321.366 0.478 20 30 DCEDHM CC(C)C[C@H](C#N)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589536922 1166664317 /nfs/dbraw/zinc/66/43/17/1166664317.db2.gz JKEUUDBTIAHJJM-SNVBAGLBSA-N -1 3 321.366 0.478 20 30 DCEDHM CC(C)N(CCN(C)CC#N)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001589688328 1166673477 /nfs/dbraw/zinc/67/34/77/1166673477.db2.gz IVOISNHRCMULTA-UHFFFAOYSA-N -1 3 316.369 0.501 20 30 DCEDHM CC(C)N(CCN(C)CC#N)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001589688328 1166673481 /nfs/dbraw/zinc/67/34/81/1166673481.db2.gz IVOISNHRCMULTA-UHFFFAOYSA-N -1 3 316.369 0.501 20 30 DCEDHM C[C@H](CCCCNCC#N)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001589807108 1166689752 /nfs/dbraw/zinc/68/97/52/1166689752.db2.gz DJOVTCSEBNPGED-SNVBAGLBSA-N -1 3 316.369 0.597 20 30 DCEDHM C[C@H](CCCCNCC#N)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001589807108 1166689756 /nfs/dbraw/zinc/68/97/56/1166689756.db2.gz DJOVTCSEBNPGED-SNVBAGLBSA-N -1 3 316.369 0.597 20 30 DCEDHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCC#N ZINC001589797750 1166690468 /nfs/dbraw/zinc/69/04/68/1166690468.db2.gz GLMDSLIRLFXKJL-IUCAKERBSA-N -1 3 302.342 0.205 20 30 DCEDHM C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCC#N ZINC001589797750 1166690474 /nfs/dbraw/zinc/69/04/74/1166690474.db2.gz GLMDSLIRLFXKJL-IUCAKERBSA-N -1 3 302.342 0.205 20 30 DCEDHM C[C@@H](CCCNCC#N)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001589809658 1166690802 /nfs/dbraw/zinc/69/08/02/1166690802.db2.gz GAESGSIWCXKJIX-VIFPVBQESA-N -1 3 302.342 0.206 20 30 DCEDHM C[C@@H](CCCNCC#N)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001589809658 1166690807 /nfs/dbraw/zinc/69/08/07/1166690807.db2.gz GAESGSIWCXKJIX-VIFPVBQESA-N -1 3 302.342 0.206 20 30 DCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1NCC#N ZINC001590294276 1166845844 /nfs/dbraw/zinc/84/58/44/1166845844.db2.gz ZVJBJKBKLDLHAZ-ONGXEEELSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1NCC#N ZINC001590294276 1166845852 /nfs/dbraw/zinc/84/58/52/1166845852.db2.gz ZVJBJKBKLDLHAZ-ONGXEEELSA-N -1 3 314.353 0.159 20 30 DCEDHM CC[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)C(=O)OC ZINC001590482440 1166922130 /nfs/dbraw/zinc/92/21/30/1166922130.db2.gz KPSXULSEYCNUNU-QMMMGPOBSA-N -1 3 319.350 0.759 20 30 DCEDHM CC[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)C(=O)OC ZINC001590482440 1166922140 /nfs/dbraw/zinc/92/21/40/1166922140.db2.gz KPSXULSEYCNUNU-QMMMGPOBSA-N -1 3 319.350 0.759 20 30 DCEDHM CCN(CC#N)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001590679663 1166968778 /nfs/dbraw/zinc/96/87/78/1166968778.db2.gz FUJGQLVVHOMQOV-CYBMUJFWSA-N -1 3 311.349 0.817 20 30 DCEDHM CCN(CC#N)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001590679663 1166968790 /nfs/dbraw/zinc/96/87/90/1166968790.db2.gz FUJGQLVVHOMQOV-CYBMUJFWSA-N -1 3 311.349 0.817 20 30 DCEDHM CN(CC(C)(C)C#N)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591038894 1167090007 /nfs/dbraw/zinc/09/00/07/1167090007.db2.gz BNUVDKOIPPXWAS-LBPRGKRZSA-N -1 3 314.349 0.908 20 30 DCEDHM CN(CC(C)(C)C#N)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591038894 1167090012 /nfs/dbraw/zinc/09/00/12/1167090012.db2.gz BNUVDKOIPPXWAS-LBPRGKRZSA-N -1 3 314.349 0.908 20 30 DCEDHM COC(=O)[C@@](C)(O)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001591229446 1167167950 /nfs/dbraw/zinc/16/79/50/1167167950.db2.gz RUJFWCHMCCIROU-ZDUSSCGKSA-N -1 3 302.294 0.074 20 30 DCEDHM COC(=O)[C@@](C)(O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001591229446 1167167954 /nfs/dbraw/zinc/16/79/54/1167167954.db2.gz RUJFWCHMCCIROU-ZDUSSCGKSA-N -1 3 302.294 0.074 20 30 DCEDHM COC1CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591360035 1167235032 /nfs/dbraw/zinc/23/50/32/1167235032.db2.gz GXWVBZJPMSCBOU-GFCCVEGCSA-N -1 3 312.333 0.406 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)OCC1(C#N)COC1 ZINC001591485073 1167309901 /nfs/dbraw/zinc/30/99/01/1167309901.db2.gz VCOKFZVESPPIKD-UHFFFAOYSA-N -1 3 315.289 0.572 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)OCC1(C#N)COC1 ZINC001591485073 1167309906 /nfs/dbraw/zinc/30/99/06/1167309906.db2.gz VCOKFZVESPPIKD-UHFFFAOYSA-N -1 3 315.289 0.572 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)ccc1OC[C@@H](O)CN(C)CCC#N ZINC001591870131 1167402498 /nfs/dbraw/zinc/40/24/98/1167402498.db2.gz TWRBCUWRWQHXRS-ZDUSSCGKSA-N -1 3 316.365 0.760 20 30 DCEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001592097751 1167452772 /nfs/dbraw/zinc/45/27/72/1167452772.db2.gz VKFFDKHNYBSHPM-HNNXBMFYSA-N -1 3 312.333 0.930 20 30 DCEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001592097751 1167452776 /nfs/dbraw/zinc/45/27/76/1167452776.db2.gz VKFFDKHNYBSHPM-HNNXBMFYSA-N -1 3 312.333 0.930 20 30 DCEDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC001592108689 1167455423 /nfs/dbraw/zinc/45/54/23/1167455423.db2.gz CBEMVVXHMVRLSP-VIFPVBQESA-N -1 3 306.351 0.708 20 30 DCEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC001592108689 1167455425 /nfs/dbraw/zinc/45/54/25/1167455425.db2.gz CBEMVVXHMVRLSP-VIFPVBQESA-N -1 3 306.351 0.708 20 30 DCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@@H]1CO ZINC001592664961 1167591539 /nfs/dbraw/zinc/59/15/39/1167591539.db2.gz KUTMMCKJYIRQIX-CHWSQXEVSA-N -1 3 312.333 0.142 20 30 DCEDHM N#C[C@H]1COCCN1C(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001592672149 1167593699 /nfs/dbraw/zinc/59/36/99/1167593699.db2.gz YNEDXKFNPMEDOJ-VIFPVBQESA-N -1 3 302.269 0.370 20 30 DCEDHM N#C[C@H]1COCCN1C(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001592672149 1167593702 /nfs/dbraw/zinc/59/37/02/1167593702.db2.gz YNEDXKFNPMEDOJ-VIFPVBQESA-N -1 3 302.269 0.370 20 30 DCEDHM N#CCC1(O)CN(Cc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC001592674042 1167597038 /nfs/dbraw/zinc/59/70/38/1167597038.db2.gz YIWBSMXOZDRCFF-UHFFFAOYSA-N -1 3 315.293 0.235 20 30 DCEDHM N#CCC1(O)CN(Cc2ccc(-c3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC001592674042 1167597042 /nfs/dbraw/zinc/59/70/42/1167597042.db2.gz YIWBSMXOZDRCFF-UHFFFAOYSA-N -1 3 315.293 0.235 20 30 DCEDHM N#CC[C@@]1(O)CCN(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C1 ZINC001592674263 1167597256 /nfs/dbraw/zinc/59/72/56/1167597256.db2.gz CAPKBPAIPZAYFJ-OGZRUICASA-N -1 3 324.344 0.757 20 30 DCEDHM N#CC[C@@]1(O)CCN(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C1 ZINC001592674263 1167597262 /nfs/dbraw/zinc/59/72/62/1167597262.db2.gz CAPKBPAIPZAYFJ-OGZRUICASA-N -1 3 324.344 0.757 20 30 DCEDHM N#Cc1ccn(CCOc2ccccc2-c2nnn[n-]2)c(=O)c1 ZINC001592702028 1167604318 /nfs/dbraw/zinc/60/43/18/1167604318.db2.gz GGMHTQRLRWMLOG-UHFFFAOYSA-N -1 3 308.301 0.979 20 30 DCEDHM N#Cc1ccn(CCOc2ccccc2-c2nn[n-]n2)c(=O)c1 ZINC001592702028 1167604322 /nfs/dbraw/zinc/60/43/22/1167604322.db2.gz GGMHTQRLRWMLOG-UHFFFAOYSA-N -1 3 308.301 0.979 20 30 DCEDHM O=C(C#CC1CC1)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001592766043 1167640978 /nfs/dbraw/zinc/64/09/78/1167640978.db2.gz AAKBMHQRZCZBLY-CYBMUJFWSA-N -1 3 323.360 0.688 20 30 DCEDHM O=C(C#CC1CC1)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001592766043 1167640981 /nfs/dbraw/zinc/64/09/81/1167640981.db2.gz AAKBMHQRZCZBLY-CYBMUJFWSA-N -1 3 323.360 0.688 20 30 DCEDHM O=C1Nc2cc(-c3nnn[n-]3)ccc2C1=NN[C@@H]1CCSC1 ZINC001593412409 1167822978 /nfs/dbraw/zinc/82/29/78/1167822978.db2.gz XEQKLTNHCKFQTL-MRVPVSSYSA-N -1 3 315.362 0.618 20 30 DCEDHM O=C1Nc2cc(-c3nn[n-]n3)ccc2C1=NN[C@@H]1CCSC1 ZINC001593412409 1167822993 /nfs/dbraw/zinc/82/29/93/1167822993.db2.gz XEQKLTNHCKFQTL-MRVPVSSYSA-N -1 3 315.362 0.618 20 30 DCEDHM Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H](N)CCC(=O)[O-] ZINC001600307237 1168163131 /nfs/dbraw/zinc/16/31/31/1168163131.db2.gz ZQMOXNWHTWONRQ-SNVBAGLBSA-N -1 3 301.306 0.874 20 30 DCEDHM N#CCCCC[C@H](N)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC001601064892 1168579655 /nfs/dbraw/zinc/57/96/55/1168579655.db2.gz NXRRKNYPGAOYDW-ZDUSSCGKSA-N -1 3 311.382 0.880 20 30 DCEDHM N#C[C@@H]1CNCC12CC(C(=O)N1C[C@@H]3CCC[C@@H]3[C@H]1C(=O)[O-])C2 ZINC001601062881 1168579710 /nfs/dbraw/zinc/57/97/10/1168579710.db2.gz KYMOFFCCWQDYEN-VHJHRCBFSA-N -1 3 317.389 0.837 20 30 DCEDHM N#Cc1ccc(S(=O)(=O)CCN[C@H]2C[C@@H](C(=O)[O-])C2)nc1 ZINC001601110487 1168586756 /nfs/dbraw/zinc/58/67/56/1168586756.db2.gz ABOZBEIEIXYJLS-PHIMTYICSA-N -1 3 309.347 0.180 20 30 DCEDHM N#Cc1cccc(S(=O)(=O)CCNC2(CC(=O)[O-])CC2)c1 ZINC001601121080 1168588143 /nfs/dbraw/zinc/58/81/43/1168588143.db2.gz BWDZRJURJZKLOE-UHFFFAOYSA-N -1 3 308.359 0.929 20 30 DCEDHM O=C([O-])[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001601777845 1168881493 /nfs/dbraw/zinc/88/14/93/1168881493.db2.gz AXSXGJJNBWJJBW-QXSJWSMHSA-N -1 3 312.369 0.996 20 30 DCEDHM C#CC1(F)CN(C(=O)Nc2cc(C)c(-c3nnn[n-]3)cn2)C1 ZINC001602690657 1169160053 /nfs/dbraw/zinc/16/00/53/1169160053.db2.gz GFNOIVCFXIOHNO-UHFFFAOYSA-N -1 3 301.285 0.759 20 30 DCEDHM C#CC1(F)CN(C(=O)Nc2cc(C)c(-c3nn[n-]n3)cn2)C1 ZINC001602690657 1169160055 /nfs/dbraw/zinc/16/00/55/1169160055.db2.gz GFNOIVCFXIOHNO-UHFFFAOYSA-N -1 3 301.285 0.759 20 30 DCEDHM C#CC1(F)CN(C(=O)COc2cccc(-c3nnn[n-]3)c2)C1 ZINC001602690674 1169160444 /nfs/dbraw/zinc/16/04/44/1169160444.db2.gz GRLYLMUYYCLHLU-UHFFFAOYSA-N -1 3 301.281 0.429 20 30 DCEDHM C#CC1(F)CN(C(=O)COc2cccc(-c3nn[n-]n3)c2)C1 ZINC001602690674 1169160451 /nfs/dbraw/zinc/16/04/51/1169160451.db2.gz GRLYLMUYYCLHLU-UHFFFAOYSA-N -1 3 301.281 0.429 20 30 DCEDHM C#C[C@H](NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1)C(C)C ZINC001602691157 1169162440 /nfs/dbraw/zinc/16/24/40/1169162440.db2.gz UKRZTORPSBQJEW-LBPRGKRZSA-N -1 3 323.353 0.942 20 30 DCEDHM C#C[C@H](NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1)C(C)C ZINC001602691157 1169162443 /nfs/dbraw/zinc/16/24/43/1169162443.db2.gz UKRZTORPSBQJEW-LBPRGKRZSA-N -1 3 323.353 0.942 20 30 DCEDHM C#CCC[C@H](O)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001602702290 1169166548 /nfs/dbraw/zinc/16/65/48/1169166548.db2.gz FAPQWCUPZYXGDA-JTQLQIEISA-N -1 3 318.312 0.902 20 30 DCEDHM C#CCC[C@H](O)CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001602702290 1169166556 /nfs/dbraw/zinc/16/65/56/1169166556.db2.gz FAPQWCUPZYXGDA-JTQLQIEISA-N -1 3 318.312 0.902 20 30 DCEDHM C#CCCCC(=O)N[C@@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001602704090 1169166681 /nfs/dbraw/zinc/16/66/81/1169166681.db2.gz ORKNUOJATWRQRA-NSHDSACASA-N -1 3 313.365 0.982 20 30 DCEDHM C#CCCCC(=O)N[C@@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001602704090 1169166689 /nfs/dbraw/zinc/16/66/89/1169166689.db2.gz ORKNUOJATWRQRA-NSHDSACASA-N -1 3 313.365 0.982 20 30 DCEDHM C#CCN(C(=O)[C@H]1CC[C@@H](CCC(=O)[O-])O1)C1CCN(C)CC1 ZINC001602713797 1169167755 /nfs/dbraw/zinc/16/77/55/1169167755.db2.gz UJQNMDXFUWNAEC-LSDHHAIUSA-N -1 3 322.405 0.955 20 30 DCEDHM C#CCN1CCC(C(=O)N[C@@H](CC(F)(F)F)C(=O)[O-])CC1 ZINC001602721068 1169170625 /nfs/dbraw/zinc/17/06/25/1169170625.db2.gz SVXPGRWJRFIXRN-JTQLQIEISA-N -1 3 306.284 0.853 20 30 DCEDHM C#CCN1CCCN(C(=O)c2ccc(C)c(-c3nn[n-]n3)c2)CC1 ZINC001602721484 1169171994 /nfs/dbraw/zinc/17/19/94/1169171994.db2.gz LIBHMUJVDQVFDI-UHFFFAOYSA-N -1 3 324.388 0.956 20 30 DCEDHM C#CCN1CCCN(C(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001602721693 1169172099 /nfs/dbraw/zinc/17/20/99/1169172099.db2.gz SJCPJNPDXJZRBY-UHFFFAOYSA-N -1 3 310.361 0.648 20 30 DCEDHM C#CCN1CCCN(C(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001602721693 1169172106 /nfs/dbraw/zinc/17/21/06/1169172106.db2.gz SJCPJNPDXJZRBY-UHFFFAOYSA-N -1 3 310.361 0.648 20 30 DCEDHM C#CCSCC(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1 ZINC001602732885 1169174208 /nfs/dbraw/zinc/17/42/08/1169174208.db2.gz KDTCOXAGBOTKPY-UHFFFAOYSA-N -1 3 304.335 0.575 20 30 DCEDHM C=C[C@@](C)(O)CC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001602794018 1169184928 /nfs/dbraw/zinc/18/49/28/1169184928.db2.gz PNXBATPJNIGGJB-OAHLLOKOSA-N -1 3 317.349 0.819 20 30 DCEDHM C=C[C@@](C)(O)CC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001602794018 1169184933 /nfs/dbraw/zinc/18/49/33/1169184933.db2.gz PNXBATPJNIGGJB-OAHLLOKOSA-N -1 3 317.349 0.819 20 30 DCEDHM C=C[C@@H](O)c1nnc(N2Cc3ccc(-c4nnn[n-]4)cc3C2)n1C ZINC001602804943 1169186152 /nfs/dbraw/zinc/18/61/52/1169186152.db2.gz 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599212079 /nfs/dbraw/zinc/21/20/79/599212079.db2.gz NQIBXSACLWKVBM-JTQLQIEISA-N -1 3 316.369 0.937 20 30 DCEDHM N#C[C@H]1CN(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000737679302 598373324 /nfs/dbraw/zinc/37/33/24/598373324.db2.gz PIVHRTUMQKLWFM-LBPRGKRZSA-N -1 3 313.321 0.301 20 30 DCEDHM N#C[C@H]1CN(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000737679302 598373327 /nfs/dbraw/zinc/37/33/27/598373327.db2.gz PIVHRTUMQKLWFM-LBPRGKRZSA-N -1 3 313.321 0.301 20 30 DCEDHM C[C@H](C#N)CN(C)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735503154 598689822 /nfs/dbraw/zinc/68/98/22/598689822.db2.gz JEZPQJUSCLXIKS-MRVPVSSYSA-N -1 3 324.341 0.786 20 30 DCEDHM C=C(Cl)CNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735402035 599453274 /nfs/dbraw/zinc/45/32/74/599453274.db2.gz FSTZEDQUBHXLMA-UHFFFAOYSA-N -1 3 322.760 0.725 20 30 DCEDHM C=C(Cl)CNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735402035 599453275 /nfs/dbraw/zinc/45/32/75/599453275.db2.gz FSTZEDQUBHXLMA-UHFFFAOYSA-N -1 3 322.760 0.725 20 30 DCEDHM C=C(Cl)CNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735402082 599508454 /nfs/dbraw/zinc/50/84/54/599508454.db2.gz HKXZWTLNFMNRCE-UHFFFAOYSA-N -1 3 306.713 0.674 20 30 DCEDHM C=C(Cl)CNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735402082 599508456 /nfs/dbraw/zinc/50/84/56/599508456.db2.gz HKXZWTLNFMNRCE-UHFFFAOYSA-N -1 3 306.713 0.674 20 30 DCEDHM COc1ccc(Cn2c(N)nc(C#N)c2C#N)cc1-c1nnn[n-]1 ZINC000826208595 607544225 /nfs/dbraw/zinc/54/42/25/607544225.db2.gz RDKBAFLABZHGGH-UHFFFAOYSA-N -1 3 321.304 0.446 20 30 DCEDHM COc1ccc(Cn2c(N)nc(C#N)c2C#N)cc1-c1nn[n-]n1 ZINC000826208595 607544227 /nfs/dbraw/zinc/54/42/27/607544227.db2.gz RDKBAFLABZHGGH-UHFFFAOYSA-N -1 3 321.304 0.446 20 30 DCEDHM Cn1nnc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c1C(F)F ZINC001675325129 1175347266 /nfs/dbraw/zinc/34/72/66/1175347266.db2.gz UAKPNCSODRDARK-RXMQYKEDSA-N -1 3 304.257 0.254 20 30 DCEDHM N#Cc1cccnc1NCCNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822842348 606262939 /nfs/dbraw/zinc/26/29/39/606262939.db2.gz DJGWWDQQNPMJJR-UHFFFAOYSA-N -1 3 323.320 0.303 20 30 DCEDHM N#Cc1cccnc1NCCNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822842348 606262940 /nfs/dbraw/zinc/26/29/40/606262940.db2.gz DJGWWDQQNPMJJR-UHFFFAOYSA-N -1 3 323.320 0.303 20 30 DCEDHM C=C[C@@H](C)NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC000819730362 606814682 /nfs/dbraw/zinc/81/46/82/606814682.db2.gz XPKUNJYMDNBSCI-SECBINFHSA-N -1 3 303.322 0.945 20 30 DCEDHM C=C[C@@H](C)NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC000819730362 606814683 /nfs/dbraw/zinc/81/46/83/606814683.db2.gz XPKUNJYMDNBSCI-SECBINFHSA-N -1 3 303.322 0.945 20 30 DCEDHM N#C[C@@H]1COCCN1C[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822806895 606929095 /nfs/dbraw/zinc/92/90/95/606929095.db2.gz VDHGAGUTFOSERT-OLZOCXBDSA-N -1 3 300.322 0.124 20 30 DCEDHM N#C[C@@H]1COCCN1C[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822806895 606929096 /nfs/dbraw/zinc/92/90/96/606929096.db2.gz VDHGAGUTFOSERT-OLZOCXBDSA-N -1 3 300.322 0.124 20 30 DCEDHM N#Cc1nc(N)n(Cc2cnc(Cl)s2)c1-c1nnn[n-]1 ZINC000822846260 607162144 /nfs/dbraw/zinc/16/21/44/607162144.db2.gz SJRMXNLJCHQTNH-UHFFFAOYSA-N -1 3 307.730 0.675 20 30 DCEDHM N#Cc1nc(N)n(Cc2cnc(Cl)s2)c1-c1nn[n-]n1 ZINC000822846260 607162146 /nfs/dbraw/zinc/16/21/46/607162146.db2.gz SJRMXNLJCHQTNH-UHFFFAOYSA-N -1 3 307.730 0.675 20 30 DCEDHM COc1ccc(Cn2nc(C)c(-c3nnn[n-]3)c2N)cc1C#N ZINC000826208651 607973503 /nfs/dbraw/zinc/97/35/03/607973503.db2.gz UHVZGSOZXMDTPP-UHFFFAOYSA-N -1 3 310.321 0.882 20 30 DCEDHM COc1ccc(Cn2nc(C)c(-c3nn[n-]n3)c2N)cc1C#N ZINC000826208651 607973504 /nfs/dbraw/zinc/97/35/04/607973504.db2.gz UHVZGSOZXMDTPP-UHFFFAOYSA-N -1 3 310.321 0.882 20 30 DCEDHM COC[C@H](C#N)OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826147887 608147050 /nfs/dbraw/zinc/14/70/50/608147050.db2.gz OWKPQQAPFUGKLP-ZETCQYMHSA-N -1 3 309.232 0.840 20 30 DCEDHM COC[C@H](C#N)OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826147887 608147049 /nfs/dbraw/zinc/14/70/49/608147049.db2.gz OWKPQQAPFUGKLP-ZETCQYMHSA-N -1 3 309.232 0.840 20 30 DCEDHM N#C[C@H]1CN(c2nc3c(cc2-c2nnn[n-]2)CCCC3)CCO1 ZINC000826380917 608285530 /nfs/dbraw/zinc/28/55/30/608285530.db2.gz QLAPOWCVPKNCDU-NSHDSACASA-N -1 3 311.349 0.869 20 30 DCEDHM N#C[C@H]1CN(c2nc3c(cc2-c2nn[n-]n2)CCCC3)CCO1 ZINC000826380917 608285532 /nfs/dbraw/zinc/28/55/32/608285532.db2.gz QLAPOWCVPKNCDU-NSHDSACASA-N -1 3 311.349 0.869 20 30 DCEDHM C=CCNC(=O)CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823919776 609348187 /nfs/dbraw/zinc/34/81/87/609348187.db2.gz QFXYOLQAKPUIFH-SECBINFHSA-N -1 3 304.329 0.959 20 30 DCEDHM Cn1ccc(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)n1 ZINC000826362847 609467441 /nfs/dbraw/zinc/46/74/41/609467441.db2.gz LKZYTWMMIQSPCU-UHFFFAOYSA-N -1 3 308.305 0.653 20 30 DCEDHM Cn1ccc(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)n1 ZINC000826362847 609467442 /nfs/dbraw/zinc/46/74/42/609467442.db2.gz LKZYTWMMIQSPCU-UHFFFAOYSA-N -1 3 308.305 0.653 20 30 DCEDHM C#CCOCCN[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC000823855915 609507246 /nfs/dbraw/zinc/50/72/46/609507246.db2.gz DROZXRHZXGCWQE-CYBMUJFWSA-N -1 3 315.333 0.320 20 30 DCEDHM C#CCOCCN[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC000823855915 609507247 /nfs/dbraw/zinc/50/72/47/609507247.db2.gz DROZXRHZXGCWQE-CYBMUJFWSA-N -1 3 315.333 0.320 20 30 DCEDHM COC(=O)[C@H](NCCCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111782 609507775 /nfs/dbraw/zinc/50/77/75/609507775.db2.gz MCNLPRBOVNQMOZ-GFCCVEGCSA-N -1 3 300.322 0.974 20 30 DCEDHM COC(=O)[C@H](NCCCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111782 609507777 /nfs/dbraw/zinc/50/77/77/609507777.db2.gz MCNLPRBOVNQMOZ-GFCCVEGCSA-N -1 3 300.322 0.974 20 30 DCEDHM C#CCN1CCN(c2ncc(Cl)c(C)c2-c2nnn[n-]2)CC1 ZINC000823850002 609527912 /nfs/dbraw/zinc/52/79/12/609527912.db2.gz GQDIHQXIDOJZFR-UHFFFAOYSA-N -1 3 317.784 0.979 20 30 DCEDHM C#CCN1CCN(c2ncc(Cl)c(C)c2-c2nn[n-]n2)CC1 ZINC000823850002 609527913 /nfs/dbraw/zinc/52/79/13/609527913.db2.gz GQDIHQXIDOJZFR-UHFFFAOYSA-N -1 3 317.784 0.979 20 30 DCEDHM C[C@H](NC(=O)c1nnc2ccccc2c1[O-])C1CN(CC#N)C1 ZINC000970507407 657585537 /nfs/dbraw/zinc/58/55/37/657585537.db2.gz AGVQMOXUVQVNKV-JTQLQIEISA-N -1 3 311.345 0.909 20 30 DCEDHM CC#CCN1CC[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C[C@H]1C ZINC000947601191 658401966 /nfs/dbraw/zinc/40/19/66/658401966.db2.gz BVQBCTFYJHQVEQ-NEPJUHHUSA-N -1 3 318.377 0.092 20 30 DCEDHM C[C@@H](C#N)C(=O)N1CC[C@@H]2CN(C(=O)c3cnc[n-]c3=O)[C@@H]2C1 ZINC000972792711 658421756 /nfs/dbraw/zinc/42/17/56/658421756.db2.gz IFCBQRKZWJYPRW-HOSYDEDBSA-N -1 3 315.333 0.015 20 30 DCEDHM C=C1CCC(C(=O)NC2CN(C(=O)c3cnc[n-]c3=O)C2)CC1 ZINC000999108406 665581204 /nfs/dbraw/zinc/58/12/04/665581204.db2.gz QXPJMUIOKYLRME-UHFFFAOYSA-N -1 3 316.361 0.869 20 30 DCEDHM C=C(C)CN1CCCC[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001024532599 658693398 /nfs/dbraw/zinc/69/33/98/658693398.db2.gz KJZQINXZQBDRGL-JTQLQIEISA-N -1 3 307.354 0.443 20 30 DCEDHM C=CCN1CCCC[C@@H]1CNC(=O)c1c[n-]n2c1nccc2=O ZINC001024695224 658774010 /nfs/dbraw/zinc/77/40/10/658774010.db2.gz RUKKEFWLYINXJJ-GFCCVEGCSA-N -1 3 315.377 0.793 20 30 DCEDHM C[C@@H](C#N)C(=O)N1CCC[C@H](CNC(=O)c2cnc[n-]c2=O)C1 ZINC000975350392 659002975 /nfs/dbraw/zinc/00/29/75/659002975.db2.gz RMCOXMSODQLBLN-WDEREUQCSA-N -1 3 317.349 0.310 20 30 DCEDHM C=CCN1C[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C(C)(C)C1 ZINC000974927237 659733636 /nfs/dbraw/zinc/73/36/36/659733636.db2.gz YHEXSKMJUFKCDQ-NSHDSACASA-N -1 3 306.366 0.112 20 30 DCEDHM C[C@H](C#N)C(=O)N1CCCC[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC000937467930 662069693 /nfs/dbraw/zinc/06/96/93/662069693.db2.gz CVGFTZOFMILUJH-MNOVXSKESA-N -1 3 317.349 0.453 20 30 DCEDHM O=C1[C@H](NCc2cn(-c3ccc(F)cc3)nn2)CCCN1[O-] ZINC000895158369 662125590 /nfs/dbraw/zinc/12/55/90/662125590.db2.gz YZVJOYQLJKKKKB-CYBMUJFWSA-N -1 3 305.313 0.876 20 30 DCEDHM Cc1nc[n-]c(=O)c1CCC(=O)N1C[C@H](NCC#N)C[C@@H]1C ZINC000989100862 662880393 /nfs/dbraw/zinc/88/03/93/662880393.db2.gz UPOCMHIGLXCSCD-CMPLNLGQSA-N -1 3 303.366 0.526 20 30 DCEDHM C#Cc1ccc(C(=O)N2CCN(c3nc(C)cc(=O)[n-]3)CC2)cn1 ZINC000899500888 663150159 /nfs/dbraw/zinc/15/01/59/663150159.db2.gz NYUBRUXMSVRRBA-UHFFFAOYSA-N -1 3 323.356 0.829 20 30 DCEDHM C=C(C)C[C@H]1NC(=O)N([C@@H]2CCN(c3cc(=O)[n-]cn3)C2)C1=O ZINC000900171559 663221727 /nfs/dbraw/zinc/22/17/27/663221727.db2.gz HGLATQLRXFLMIU-GHMZBOCLSA-N -1 3 317.349 0.648 20 30 DCEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cnn(C)c1Br ZINC000903102604 663447181 /nfs/dbraw/zinc/44/71/81/663447181.db2.gz RGBPHXBFOWNCJJ-LURJTMIESA-N -1 3 307.173 0.763 20 30 DCEDHM CN1C(=O)CC[C@@H]([N-]C(=O)C(F)(F)c2ccccc2C#N)C1=O ZINC000911305774 664023994 /nfs/dbraw/zinc/02/39/94/664023994.db2.gz OEOKALAHKJFFNT-LLVKDONJSA-N -1 3 321.283 0.914 20 30 DCEDHM C=C(C)C(C)(C)C(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@@H](O)C1 ZINC000991603599 664470104 /nfs/dbraw/zinc/47/01/04/664470104.db2.gz QNWFHMGTCWAMIL-PWSUYJOCSA-N -1 3 321.381 0.099 20 30 DCEDHM C=CCN1CC[C@]2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CCC[C@H]12 ZINC000991628418 664491074 /nfs/dbraw/zinc/49/10/74/664491074.db2.gz VGGOOFWRGGGCAR-LKFCYVNXSA-N -1 3 305.338 0.196 20 30 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COC(=O)c1cc(Cn2c(C)nc(C#N)c2-c2nnn[n-]2)on1 ZINC001579478749 1165325931 /nfs/dbraw/zinc/32/59/31/1165325931.db2.gz SEZNQMNWUNTYJG-UHFFFAOYSA-N -1 3 314.265 0.066 20 30 DCEDHM COC(=O)c1cc(Cn2c(C)nc(C#N)c2-c2nn[n-]n2)on1 ZINC001579478749 1165325932 /nfs/dbraw/zinc/32/59/32/1165325932.db2.gz SEZNQMNWUNTYJG-UHFFFAOYSA-N -1 3 314.265 0.066 20 30 DCEDHM Cn1cc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nn1 ZINC001581769796 1165872615 /nfs/dbraw/zinc/87/26/15/1165872615.db2.gz QUNZSXGHIJVBKH-UHFFFAOYSA-N -1 3 323.320 0.438 20 30 DCEDHM Cn1cc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nn1 ZINC001581769796 1165872621 /nfs/dbraw/zinc/87/26/21/1165872621.db2.gz QUNZSXGHIJVBKH-UHFFFAOYSA-N -1 3 323.320 0.438 20 30 DCEDHM Cn1cnc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)c1 ZINC001581808433 1165879792 /nfs/dbraw/zinc/87/97/92/1165879792.db2.gz BWMKQKXNUPIOSL-UHFFFAOYSA-N -1 3 313.350 0.741 20 30 DCEDHM Cn1cnc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)c1 ZINC001581808433 1165879800 /nfs/dbraw/zinc/87/98/00/1165879800.db2.gz 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C#CC[C@H](COC)NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588334389 1166531006 /nfs/dbraw/zinc/53/10/06/1166531006.db2.gz VSJTUFAAMJFSHV-LLVKDONJSA-N -1 3 315.333 0.643 20 30 DCEDHM C#CC[C@H](COC)NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588334389 1166531017 /nfs/dbraw/zinc/53/10/17/1166531017.db2.gz VSJTUFAAMJFSHV-LLVKDONJSA-N -1 3 315.333 0.643 20 30 DCEDHM C#CCCCNS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001588345556 1166534865 /nfs/dbraw/zinc/53/48/65/1166534865.db2.gz KXUZXEGPWMIHOU-UHFFFAOYSA-N -1 3 305.363 0.700 20 30 DCEDHM C#CCCCNS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001588345556 1166534874 /nfs/dbraw/zinc/53/48/74/1166534874.db2.gz KXUZXEGPWMIHOU-UHFFFAOYSA-N -1 3 305.363 0.700 20 30 DCEDHM C#CCCNS(=O)(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001588346594 1166534881 /nfs/dbraw/zinc/53/48/81/1166534881.db2.gz CJWMQEAUDVNQJP-UHFFFAOYSA-N -1 3 319.390 0.926 20 30 DCEDHM C#CCCNS(=O)(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001588346594 1166534886 /nfs/dbraw/zinc/53/48/86/1166534886.db2.gz CJWMQEAUDVNQJP-UHFFFAOYSA-N -1 3 319.390 0.926 20 30 DCEDHM C#CC[C@H]1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588337909 1166535833 /nfs/dbraw/zinc/53/58/33/1166535833.db2.gz YASIRLZKRXKYIW-NSHDSACASA-N -1 3 311.349 0.545 20 30 DCEDHM C#CC[C@H]1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588337909 1166535839 /nfs/dbraw/zinc/53/58/39/1166535839.db2.gz YASIRLZKRXKYIW-NSHDSACASA-N -1 3 311.349 0.545 20 30 DCEDHM C#CC[C@@H]1CCN(C(=O)CNc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588337897 1166535873 /nfs/dbraw/zinc/53/58/73/1166535873.db2.gz YASIRLZKRXKYIW-LLVKDONJSA-N -1 3 311.349 0.545 20 30 DCEDHM C#CC[C@@H]1CCN(C(=O)CNc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588337897 1166535888 /nfs/dbraw/zinc/53/58/88/1166535888.db2.gz YASIRLZKRXKYIW-LLVKDONJSA-N -1 3 311.349 0.545 20 30 DCEDHM C#CCN(CC#C)[C@@H](C(=O)OC)c1ccc(-c2nnn[n-]2)cc1 ZINC001588349469 1166540602 /nfs/dbraw/zinc/54/06/02/1166540602.db2.gz FPSFUBZVKSKOJX-CQSZACIVSA-N -1 3 309.329 0.649 20 30 DCEDHM C#CCN(CC#C)[C@@H](C(=O)OC)c1ccc(-c2nn[n-]n2)cc1 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DCEDHM C#CCNC(=S)N(C)CCc1cccc(-c2nn[n-]n2)c1 ZINC001588353939 1166544387 /nfs/dbraw/zinc/54/43/87/1166544387.db2.gz MAVNFFHLPQVAGD-UHFFFAOYSA-N -1 3 300.391 0.849 20 30 DCEDHM C#CCOCCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588362387 1166545773 /nfs/dbraw/zinc/54/57/73/1166545773.db2.gz CVLAOACQGAONGS-UHFFFAOYSA-N -1 3 321.362 0.137 20 30 DCEDHM C#CCOCCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588362387 1166545783 /nfs/dbraw/zinc/54/57/83/1166545783.db2.gz CVLAOACQGAONGS-UHFFFAOYSA-N -1 3 321.362 0.137 20 30 DCEDHM C#CCOCCN(C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC001588362550 1166546052 /nfs/dbraw/zinc/54/60/52/1166546052.db2.gz KIMLWBYQXPLCOT-UHFFFAOYSA-N -1 3 320.378 0.448 20 30 DCEDHM C#CCOCCN(C)CC(=O)Nc1sccc1-c1nn[n-]n1 ZINC001588362550 1166546057 /nfs/dbraw/zinc/54/60/57/1166546057.db2.gz KIMLWBYQXPLCOT-UHFFFAOYSA-N -1 3 320.378 0.448 20 30 DCEDHM C#CCOCCCOC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588362373 1166546268 /nfs/dbraw/zinc/54/62/68/1166546268.db2.gz CDVMVQIKACJOBN-UHFFFAOYSA-N -1 3 301.306 0.767 20 30 DCEDHM C#CCOCCCOC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588362373 1166546272 /nfs/dbraw/zinc/54/62/72/1166546272.db2.gz CDVMVQIKACJOBN-UHFFFAOYSA-N -1 3 301.306 0.767 20 30 DCEDHM C#CCOCCNC(=O)c1ccc2c(-c3nnn[n-]3)c[nH]c2c1 ZINC001588363629 1166548293 /nfs/dbraw/zinc/54/82/93/1166548293.db2.gz RETYHJVZQVRVSU-UHFFFAOYSA-N -1 3 310.317 0.728 20 30 DCEDHM C#CCOCCNC(=O)c1ccc2c(-c3nn[n-]n3)c[nH]c2c1 ZINC001588363629 1166548297 /nfs/dbraw/zinc/54/82/97/1166548297.db2.gz RETYHJVZQVRVSU-UHFFFAOYSA-N -1 3 310.317 0.728 20 30 DCEDHM C=C[C@H](NCc1ccc(-c2nnn[n-]2)c(OC)c1)C(=O)OC ZINC001588525613 1166559155 /nfs/dbraw/zinc/55/91/55/1166559155.db2.gz JNOSWNAPKARTSO-NSHDSACASA-N -1 3 303.322 0.693 20 30 DCEDHM C=C[C@H](NCc1ccc(-c2nn[n-]n2)c(OC)c1)C(=O)OC ZINC001588525613 1166559159 /nfs/dbraw/zinc/55/91/59/1166559159.db2.gz JNOSWNAPKARTSO-NSHDSACASA-N -1 3 303.322 0.693 20 30 DCEDHM C=CCCC(=O)NCCN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588572329 1166564055 /nfs/dbraw/zinc/56/40/55/1166564055.db2.gz DVIROIQTACNPNO-UHFFFAOYSA-N -1 3 317.353 0.349 20 30 DCEDHM C=CCCC(=O)NCCN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588572329 1166564062 /nfs/dbraw/zinc/56/40/62/1166564062.db2.gz DVIROIQTACNPNO-UHFFFAOYSA-N -1 3 317.353 0.349 20 30 DCEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588659022 1166575382 /nfs/dbraw/zinc/57/53/82/1166575382.db2.gz GURUVWLDPCFOEL-MRVPVSSYSA-N -1 3 319.296 0.853 20 30 DCEDHM C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588659022 1166575385 /nfs/dbraw/zinc/57/53/85/1166575385.db2.gz GURUVWLDPCFOEL-MRVPVSSYSA-N -1 3 319.296 0.853 20 30 DCEDHM C=C[C@H](CO)NS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC001588727782 1166582970 /nfs/dbraw/zinc/58/29/70/1166582970.db2.gz IXEHINKYUZJSSX-SNVBAGLBSA-N -1 3 309.351 0.000 20 30 DCEDHM C=C[C@H](CO)NS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC001588727782 1166582973 /nfs/dbraw/zinc/58/29/73/1166582973.db2.gz IXEHINKYUZJSSX-SNVBAGLBSA-N -1 3 309.351 0.000 20 30 DCEDHM CC#CCN(C)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1F ZINC001588747467 1166583831 /nfs/dbraw/zinc/58/38/31/1166583831.db2.gz HUCABVUIAVHTSU-UHFFFAOYSA-N -1 3 323.353 0.791 20 30 DCEDHM CC#CCN(C)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1F ZINC001588747467 1166583838 /nfs/dbraw/zinc/58/38/38/1166583838.db2.gz HUCABVUIAVHTSU-UHFFFAOYSA-N -1 3 323.353 0.791 20 30 DCEDHM CC(C)(C)[C@@H](CNCC#N)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001589089767 1166632983 /nfs/dbraw/zinc/63/29/83/1166632983.db2.gz IAGCGXLXBNMHPF-LLVKDONJSA-N -1 3 316.369 0.452 20 30 DCEDHM CC(C)(C)[C@@H](CNCC#N)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001589089767 1166632986 /nfs/dbraw/zinc/63/29/86/1166632986.db2.gz IAGCGXLXBNMHPF-LLVKDONJSA-N -1 3 316.369 0.452 20 30 DCEDHM CC(C)(CO)CNN=C1CCCc2cc(-c3nnn[n-]3)cnc21 ZINC001589294886 1166643926 /nfs/dbraw/zinc/64/39/26/1166643926.db2.gz XJSRJMPVSPEVMC-UHFFFAOYSA-N -1 3 315.381 0.910 20 30 DCEDHM CC(C)(CO)CNN=C1CCCc2cc(-c3nn[n-]n3)cnc21 ZINC001589294886 1166643933 /nfs/dbraw/zinc/64/39/33/1166643933.db2.gz XJSRJMPVSPEVMC-UHFFFAOYSA-N -1 3 315.381 0.910 20 30 DCEDHM CC(C)(CNc1c(C#N)cccc1-c1nnn[n-]1)S(C)(=O)=O ZINC001589287775 1166645448 /nfs/dbraw/zinc/64/54/48/1166645448.db2.gz FYPCRHVECZIJHG-UHFFFAOYSA-N -1 3 320.378 0.973 20 30 DCEDHM CC(C)(CNc1c(C#N)cccc1-c1nn[n-]n1)S(C)(=O)=O ZINC001589287775 1166645451 /nfs/dbraw/zinc/64/54/51/1166645451.db2.gz FYPCRHVECZIJHG-UHFFFAOYSA-N -1 3 320.378 0.973 20 30 DCEDHM CC(C)c1nnc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)s1 ZINC001589778264 1166685753 /nfs/dbraw/zinc/68/57/53/1166685753.db2.gz BMCNLEWSOFTNNI-UHFFFAOYSA-N -1 3 316.354 0.540 20 30 DCEDHM CC(C)c1nnc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)s1 ZINC001589778264 1166685758 /nfs/dbraw/zinc/68/57/58/1166685758.db2.gz BMCNLEWSOFTNNI-UHFFFAOYSA-N -1 3 316.354 0.540 20 30 DCEDHM C[C@@H](CCCCNCC#N)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001589808351 1166689705 /nfs/dbraw/zinc/68/97/05/1166689705.db2.gz OXKMPMHLRIGHEA-JTQLQIEISA-N -1 3 316.369 0.597 20 30 DCEDHM C[C@@H](CCCCNCC#N)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001589808351 1166689707 /nfs/dbraw/zinc/68/97/07/1166689707.db2.gz OXKMPMHLRIGHEA-JTQLQIEISA-N -1 3 316.369 0.597 20 30 DCEDHM CC[C@@H](C#N)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001590368178 1166889319 /nfs/dbraw/zinc/88/93/19/1166889319.db2.gz ZJJYNZQHYNAZHU-QMMMGPOBSA-N -1 3 324.341 0.928 20 30 DCEDHM CCn1cc(C#N)c(=O)n(Cc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC001590949432 1167056282 /nfs/dbraw/zinc/05/62/82/1167056282.db2.gz HHHBFPXLQIRNIN-UHFFFAOYSA-N -1 3 323.316 0.130 20 30 DCEDHM CCn1cc(C#N)c(=O)n(Cc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC001590949432 1167056289 /nfs/dbraw/zinc/05/62/89/1167056289.db2.gz HHHBFPXLQIRNIN-UHFFFAOYSA-N -1 3 323.316 0.130 20 30 DCEDHM COC(=O)C[C@H](O)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001591260873 1167184814 /nfs/dbraw/zinc/18/48/14/1167184814.db2.gz PUUMRMVCKAEJFI-VIFPVBQESA-N -1 3 302.294 0.074 20 30 DCEDHM COC(=O)C[C@H](O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001591260873 1167184821 /nfs/dbraw/zinc/18/48/21/1167184821.db2.gz PUUMRMVCKAEJFI-VIFPVBQESA-N -1 3 302.294 0.074 20 30 DCEDHM COC(=O)c1cccc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)c1 ZINC001591302478 1167207221 /nfs/dbraw/zinc/20/72/21/1167207221.db2.gz LEBATAIWPNMYOB-UHFFFAOYSA-N -1 3 324.304 0.352 20 30 DCEDHM COC(=O)c1cccc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)c1 ZINC001591302478 1167207226 /nfs/dbraw/zinc/20/72/26/1167207226.db2.gz LEBATAIWPNMYOB-UHFFFAOYSA-N -1 3 324.304 0.352 20 30 DCEDHM CO[C@H](Cn1c(N)nc(C#N)c1-c1nnn[n-]1)c1ccccc1 ZINC001591333403 1167220113 /nfs/dbraw/zinc/22/01/13/1167220113.db2.gz KYMAEJHKZLLQFD-LLVKDONJSA-N -1 3 310.321 0.905 20 30 DCEDHM CO[C@H](Cn1c(N)nc(C#N)c1-c1nn[n-]n1)c1ccccc1 ZINC001591333403 1167220118 /nfs/dbraw/zinc/22/01/18/1167220118.db2.gz KYMAEJHKZLLQFD-LLVKDONJSA-N -1 3 310.321 0.905 20 30 DCEDHM COC1(CO)CCN(c2c(C#N)cccc2-c2nnn[n-]2)CC1 ZINC001591344455 1167224958 /nfs/dbraw/zinc/22/49/58/1167224958.db2.gz WEGJUBMCDKLNLP-UHFFFAOYSA-N -1 3 314.349 0.716 20 30 DCEDHM COC1(CO)CCN(c2c(C#N)cccc2-c2nn[n-]n2)CC1 ZINC001591344455 1167224967 /nfs/dbraw/zinc/22/49/67/1167224967.db2.gz WEGJUBMCDKLNLP-UHFFFAOYSA-N -1 3 314.349 0.716 20 30 DCEDHM COCC[C@@](C)(C#N)NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001591397439 1167267686 /nfs/dbraw/zinc/26/76/86/1167267686.db2.gz KHOBDGUPYAKUFM-LBPRGKRZSA-N -1 3 306.351 0.977 20 30 DCEDHM COCCN(CC#N)C(=O)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001591422010 1167278885 /nfs/dbraw/zinc/27/88/85/1167278885.db2.gz PTABGCIOOMKVPL-UHFFFAOYSA-N -1 3 301.310 0.182 20 30 DCEDHM COCCN(CC#N)C(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001591422010 1167278892 /nfs/dbraw/zinc/27/88/92/1167278892.db2.gz PTABGCIOOMKVPL-UHFFFAOYSA-N -1 3 301.310 0.182 20 30 DCEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N1CC(C)(C#N)C1 ZINC001591870242 1167402774 /nfs/dbraw/zinc/40/27/74/1167402774.db2.gz IXDKEHIVTREFJT-UHFFFAOYSA-N -1 3 318.362 0.709 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N1CC(C)(C#N)C1 ZINC001591870242 1167402779 /nfs/dbraw/zinc/40/27/79/1167402779.db2.gz IXDKEHIVTREFJT-UHFFFAOYSA-N -1 3 318.362 0.709 20 30 DCEDHM Cc1ccc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)nc1Cl ZINC001592172172 1167468474 /nfs/dbraw/zinc/46/84/74/1167468474.db2.gz ZOVGBLIFRDOTOY-UHFFFAOYSA-N -1 3 315.728 0.922 20 30 DCEDHM Cc1ccc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)nc1Cl ZINC001592172172 1167468476 /nfs/dbraw/zinc/46/84/76/1167468476.db2.gz ZOVGBLIFRDOTOY-UHFFFAOYSA-N -1 3 315.728 0.922 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)N[C@@H](C)C(C)C ZINC001592340510 1167495513 /nfs/dbraw/zinc/49/55/13/1167495513.db2.gz GWRNNBIZLUAWRP-QMMMGPOBSA-N -1 3 302.342 0.404 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)N[C@@H](C)C(C)C ZINC001592340510 1167495516 /nfs/dbraw/zinc/49/55/16/1167495516.db2.gz GWRNNBIZLUAWRP-QMMMGPOBSA-N -1 3 302.342 0.404 20 30 DCEDHM Cc1nc(N2CCN(CC#N)CC2)c(Cl)cc1-c1nnn[n-]1 ZINC001592372503 1167506626 /nfs/dbraw/zinc/50/66/26/1167506626.db2.gz IOWUEDCVJJDCLN-UHFFFAOYSA-N -1 3 318.772 0.869 20 30 DCEDHM Cc1nc(N2CCN(CC#N)CC2)c(Cl)cc1-c1nn[n-]n1 ZINC001592372503 1167506630 /nfs/dbraw/zinc/50/66/30/1167506630.db2.gz IOWUEDCVJJDCLN-UHFFFAOYSA-N -1 3 318.772 0.869 20 30 DCEDHM N#C[C@]1(F)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001592670585 1167594614 /nfs/dbraw/zinc/59/46/14/1167594614.db2.gz HAYZUUREQYJGNR-GFCCVEGCSA-N -1 3 318.272 0.799 20 30 DCEDHM N#C[C@]1(F)CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001592670585 1167594618 /nfs/dbraw/zinc/59/46/18/1167594618.db2.gz HAYZUUREQYJGNR-GFCCVEGCSA-N -1 3 318.272 0.799 20 30 DCEDHM N#Cc1cc(NC(=O)[C@]2(F)CCOC2)ccc1-c1nnn[n-]1 ZINC001592689979 1167602530 /nfs/dbraw/zinc/60/25/30/1167602530.db2.gz ZVSSNQIPHAANPZ-ZDUSSCGKSA-N -1 3 302.269 0.805 20 30 DCEDHM N#Cc1cc(NC(=O)[C@]2(F)CCOC2)ccc1-c1nn[n-]n1 ZINC001592689979 1167602535 /nfs/dbraw/zinc/60/25/35/1167602535.db2.gz ZVSSNQIPHAANPZ-ZDUSSCGKSA-N -1 3 302.269 0.805 20 30 DCEDHM N#Cc1ccc(COC(=O)c2cnccc2-c2nnn[n-]2)nc1 ZINC001592694085 1167602849 /nfs/dbraw/zinc/60/28/49/1167602849.db2.gz JBOLWMYNYPMJBE-UHFFFAOYSA-N -1 3 307.273 0.885 20 30 DCEDHM N#Cc1ccc(COC(=O)c2cnccc2-c2nn[n-]n2)nc1 ZINC001592694085 1167602851 /nfs/dbraw/zinc/60/28/51/1167602851.db2.gz JBOLWMYNYPMJBE-UHFFFAOYSA-N -1 3 307.273 0.885 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H](O)[C@@H]1CCCO1 ZINC001592699122 1167605441 /nfs/dbraw/zinc/60/54/41/1167605441.db2.gz PKFKZOVBHVJSEB-RYUDHWBXSA-N -1 3 300.322 0.690 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H](O)[C@@H]1CCCO1 ZINC001592699122 1167605447 /nfs/dbraw/zinc/60/54/47/1167605447.db2.gz PKFKZOVBHVJSEB-RYUDHWBXSA-N -1 3 300.322 0.690 20 30 DCEDHM N#Cc1ncn(Cc2ccc(-n3ccnc3)nc2)c1-c1nnn[n-]1 ZINC001592709989 1167608452 /nfs/dbraw/zinc/60/84/52/1167608452.db2.gz PKVRKTLHMZPIJD-UHFFFAOYSA-N -1 3 318.304 0.564 20 30 DCEDHM N#Cc1ncn(Cc2ccc(-n3ccnc3)nc2)c1-c1nn[n-]n1 ZINC001592709989 1167608456 /nfs/dbraw/zinc/60/84/56/1167608456.db2.gz PKVRKTLHMZPIJD-UHFFFAOYSA-N -1 3 318.304 0.564 20 30 DCEDHM N#Cc1ncn(CC2CCC3(CC2)OCCO3)c1-c1nnn[n-]1 ZINC001592709390 1167608514 /nfs/dbraw/zinc/60/85/14/1167608514.db2.gz DNBQBBVYSRATHP-UHFFFAOYSA-N -1 3 315.337 0.868 20 30 DCEDHM N#Cc1ncn(CC[S@](=O)C(F)(F)F)c1-c1nnn[n-]1 ZINC001592709520 1167609428 /nfs/dbraw/zinc/60/94/28/1167609428.db2.gz IDDJDQSUHZXJRQ-FQEVSTJZSA-N -1 3 305.245 0.203 20 30 DCEDHM N#Cc1ncccc1COC(=O)c1cnccc1-c1nnn[n-]1 ZINC001592709721 1167609831 /nfs/dbraw/zinc/60/98/31/1167609831.db2.gz MHTCFCOJSDKCNA-UHFFFAOYSA-N -1 3 307.273 0.885 20 30 DCEDHM N#Cc1ncccc1COC(=O)c1cnccc1-c1nn[n-]n1 ZINC001592709721 1167609835 /nfs/dbraw/zinc/60/98/35/1167609835.db2.gz MHTCFCOJSDKCNA-UHFFFAOYSA-N -1 3 307.273 0.885 20 30 DCEDHM NC(=O)[C@@H](OC(=O)C#CC1CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC001592716684 1167611139 /nfs/dbraw/zinc/61/11/39/1167611139.db2.gz KVRSUVOUKQESPQ-ZDUSSCGKSA-N -1 3 311.301 0.350 20 30 DCEDHM NC(=O)[C@@H](OC(=O)C#CC1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001592716684 1167611141 /nfs/dbraw/zinc/61/11/41/1167611141.db2.gz KVRSUVOUKQESPQ-ZDUSSCGKSA-N -1 3 311.301 0.350 20 30 DCEDHM N#Cc1ccc(S(=O)(=O)CCN[C@H]2CC=C(C(=O)[O-])C2)nc1 ZINC001601110512 1168586909 /nfs/dbraw/zinc/58/69/09/1168586909.db2.gz BGCNZNVPQNYNDX-LBPRGKRZSA-N -1 3 321.358 0.490 20 30 DCEDHM N#Cc1nc(C(=O)[O-])ccc1NC[C@H]1CN2CCC[C@@H]2CO1 ZINC001601133092 1168593438 /nfs/dbraw/zinc/59/34/38/1168593438.db2.gz LNQKZXVESOIFKO-MNOVXSKESA-N -1 3 302.334 0.927 20 30 DCEDHM C#CC1(O)CCN(C(=O)c2cc(C)c(-c3nnn[n-]3)cn2)CC1 ZINC001602691553 1169163039 /nfs/dbraw/zinc/16/30/39/1169163039.db2.gz ZLYMRCLDNJCGBK-UHFFFAOYSA-N -1 3 312.333 0.170 20 30 DCEDHM C#CC1(O)CCN(C(=O)c2cc(C)c(-c3nn[n-]n3)cn2)CC1 ZINC001602691553 1169163040 /nfs/dbraw/zinc/16/30/40/1169163040.db2.gz ZLYMRCLDNJCGBK-UHFFFAOYSA-N -1 3 312.333 0.170 20 30 DCEDHM C#CC[C@H](COC)NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001602697732 1169164207 /nfs/dbraw/zinc/16/42/07/1169164207.db2.gz QJJJZSYPWJVTCJ-CHWSQXEVSA-N -1 3 315.333 0.055 20 30 DCEDHM C#CC[C@H](COC)NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001602697732 1169164208 /nfs/dbraw/zinc/16/42/08/1169164208.db2.gz QJJJZSYPWJVTCJ-CHWSQXEVSA-N -1 3 315.333 0.055 20 30 DCEDHM C#CC[C@H](NC(=O)c1sccc1-c1nnn[n-]1)C(=O)OC ZINC001602697017 1169164497 /nfs/dbraw/zinc/16/44/97/1169164497.db2.gz IRBLPYNZEFGQJV-QMMMGPOBSA-N -1 3 305.319 0.223 20 30 DCEDHM C#CC[C@H](NC(=O)c1sccc1-c1nn[n-]n1)C(=O)OC ZINC001602697017 1169164500 /nfs/dbraw/zinc/16/45/00/1169164500.db2.gz IRBLPYNZEFGQJV-QMMMGPOBSA-N -1 3 305.319 0.223 20 30 DCEDHM C#CCCS(=O)(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC001602714433 1169168751 /nfs/dbraw/zinc/16/87/51/1169168751.db2.gz RKHBBRPQWJDICM-SNVBAGLBSA-N -1 3 305.363 0.870 20 30 DCEDHM C#CCCS(=O)(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC001602714433 1169168753 /nfs/dbraw/zinc/16/87/53/1169168753.db2.gz RKHBBRPQWJDICM-SNVBAGLBSA-N -1 3 305.363 0.870 20 30 DCEDHM C#CCN(C1CC1)S(=O)(=O)Cc1csc(-c2nnn[n-]2)c1 ZINC001602719668 1169169796 /nfs/dbraw/zinc/16/97/96/1169169796.db2.gz GIHMSGRHBJFZHD-UHFFFAOYSA-N -1 3 323.403 0.856 20 30 DCEDHM C#CCN1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001602721719 1169171716 /nfs/dbraw/zinc/17/17/16/1169171716.db2.gz UBTVCJIAVSSHFW-LBPRGKRZSA-N -1 3 311.349 0.089 20 30 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318.337 0.147 20 30 DCEDHM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000820482616 671205155 /nfs/dbraw/zinc/20/51/55/671205155.db2.gz OKRMQYZLAHAOEN-NSHDSACASA-N -1 3 322.321 0.771 20 30 DCEDHM O=C(C[C@@H]1Oc2ccccc2NC1=O)N[C@@H]1CCCN([O-])C1=O ZINC000820482535 671205215 /nfs/dbraw/zinc/20/52/15/671205215.db2.gz MLCINVOYYNALJL-PWSUYJOCSA-N -1 3 319.317 0.273 20 30 DCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccccc1-n1ccnn1 ZINC000820482962 671205800 /nfs/dbraw/zinc/20/58/00/671205800.db2.gz VENUZLOFYXIPOI-LLVKDONJSA-N -1 3 301.306 0.377 20 30 DCEDHM O=C(CC1CCN(CC(F)F)CC1)N[C@@H]1CCCN([O-])C1=O ZINC000823161686 671374250 /nfs/dbraw/zinc/37/42/50/671374250.db2.gz TWDNDZSZBFCQLN-LLVKDONJSA-N -1 3 319.352 0.850 20 30 DCEDHM Cc1ncc(CO)c(/C=N/Cc2nnn(C(C)(C)C)n2)c1[O-] ZINC000846756795 672342396 /nfs/dbraw/zinc/34/23/96/672342396.db2.gz LZXLGEMLRHUFSC-GIDUJCDVSA-N -1 3 304.354 0.949 20 30 DCEDHM C=CCN1C[C@@H](CNC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@H](O)C1 ZINC000958580814 687769078 /nfs/dbraw/zinc/76/90/78/687769078.db2.gz JSVXBFDBGJPOEJ-MWLCHTKSSA-N -1 3 318.333 0.137 20 30 DCEDHM C[C@@H]1CC[C@@H](NC(=O)c2cn[n-]n2)CN1c1cnc(C#N)cn1 ZINC001039824509 694437791 /nfs/dbraw/zinc/43/77/91/694437791.db2.gz VXBMPVLESKCABM-NXEZZACHSA-N -1 3 312.337 0.254 20 30 DCEDHM C[C@@H]1C[C@@H](NC(=O)c2cn[n-]n2)CN1C(=O)c1c[nH]c(C#N)c1 ZINC001012499761 691797233 /nfs/dbraw/zinc/79/72/33/691797233.db2.gz DXZQBQNOPBGVJP-LDYMZIIASA-N -1 3 313.321 0.037 20 30 DCEDHM C#Cc1ccc(C(=O)N2C[C@H](NC(=O)c3cn[n-]n3)C[C@H]2C)nc1 ZINC001013470809 691898801 /nfs/dbraw/zinc/89/88/01/691898801.db2.gz QZVHMGPSQMBFAB-ZYHUDNBSSA-N -1 3 324.344 0.214 20 30 DCEDHM N#CCN1CCC2(CCN(C(=O)c3cnc[n-]c3=O)C2)CC1 ZINC001040743111 694603083 /nfs/dbraw/zinc/60/30/83/694603083.db2.gz QIARFHKUECFRET-UHFFFAOYSA-N -1 3 301.350 0.634 20 30 DCEDHM C#CCCN1CCO[C@H]2CCN(C(=O)c3cnc[n-]c3=O)C[C@H]21 ZINC001074276408 694858306 /nfs/dbraw/zinc/85/83/06/694858306.db2.gz MTHCYYUGKPEADE-KGLIPLIRSA-N -1 3 316.361 0.121 20 30 DCEDHM CC(C)(C)C#CC(=O)N[C@H]1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001571533402 1162798979 /nfs/dbraw/zinc/79/89/79/1162798979.db2.gz AYHUFNGMJGMQGA-RYUDHWBXSA-N -1 3 319.409 0.934 20 30 DCEDHM C#CCN(CC)CCNC(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC001691029679 1157447866 /nfs/dbraw/zinc/44/78/66/1157447866.db2.gz NWKJAIRMHRKLSI-UHFFFAOYSA-N -1 3 306.410 0.446 20 30 DCEDHM CCO[C@@H]1CN(C(=O)c2c(C)nc[n-]c2=O)C[C@H]1CNCC#N ZINC001691328046 1157643196 /nfs/dbraw/zinc/64/31/96/1157643196.db2.gz MPCLFGLMLDKPIG-VXGBXAGGSA-N -1 3 319.365 0.081 20 30 DCEDHM C#CCCCC(=O)NC[C@@H](NC(=O)c1cnc[n-]c1=O)C(C)C ZINC001746802620 1157823951 /nfs/dbraw/zinc/82/39/51/1157823951.db2.gz SBJQSCZFYOYDMS-CYBMUJFWSA-N -1 3 318.377 0.856 20 30 DCEDHM C=CCOCC(=O)N[C@@H]1CC[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001278551929 1159138949 /nfs/dbraw/zinc/13/89/49/1159138949.db2.gz KHOWVAGFVUTIFQ-WDEREUQCSA-N -1 3 309.370 0.087 20 30 DCEDHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H](NCC#N)C1CC1 ZINC001566713826 1160135532 /nfs/dbraw/zinc/13/55/32/1160135532.db2.gz DGMKAKRDTQUBHY-CYBMUJFWSA-N -1 3 303.366 0.431 20 30 DCEDHM C=CCO[C@H](C)C(=O)N[C@@H](CO)CNC(=O)c1ccccc1[O-] ZINC001572312046 1163102275 /nfs/dbraw/zinc/10/22/75/1163102275.db2.gz VDFZGMDLRZPWFK-VXGBXAGGSA-N -1 3 322.361 0.190 20 30 DCEDHM N#CCNC1CCN(CCNC(=O)c2ncccc2[O-])CC1 ZINC001569884793 1161295051 /nfs/dbraw/zinc/29/50/51/1161295051.db2.gz YYIKJDPPPWFQRM-UHFFFAOYSA-N -1 3 303.366 0.095 20 30 DCEDHM C=CCOCC(=O)N1CC[C@H](NC(=O)c2cn[n-]n2)[C@H]1CC ZINC001573275914 1163412777 /nfs/dbraw/zinc/41/27/77/1163412777.db2.gz OBLMVKBCAPPCAH-CMPLNLGQSA-N -1 3 307.354 0.117 20 30 DCEDHM C[C@@H](C#N)C(=O)NCC[C@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001574587767 1163733234 /nfs/dbraw/zinc/73/32/34/1163733234.db2.gz PCSQJAFBSINGHV-UWVGGRQHSA-N -1 3 314.353 0.728 20 30 DCEDHM C[C@@H](C#N)C(=O)NCC[C@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001574587767 1163733239 /nfs/dbraw/zinc/73/32/39/1163733239.db2.gz PCSQJAFBSINGHV-UWVGGRQHSA-N -1 3 314.353 0.728 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@H](C)CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001574788489 1163751882 /nfs/dbraw/zinc/75/18/82/1163751882.db2.gz LCNSMXUBOKABFP-NXEZZACHSA-N -1 3 314.353 0.362 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@H](C)CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001574788489 1163751889 /nfs/dbraw/zinc/75/18/89/1163751889.db2.gz LCNSMXUBOKABFP-NXEZZACHSA-N -1 3 314.353 0.362 20 30 DCEDHM CC1(C)CN(CC#N)C[C@H]1NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001575712155 1164116365 /nfs/dbraw/zinc/11/63/65/1164116365.db2.gz FDBQMGQDXQWTFF-LLVKDONJSA-N -1 3 314.353 0.159 20 30 DCEDHM CC1(C)CN(CC#N)C[C@H]1NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001575712155 1164116369 /nfs/dbraw/zinc/11/63/69/1164116369.db2.gz FDBQMGQDXQWTFF-LLVKDONJSA-N -1 3 314.353 0.159 20 30 DCEDHM CN(CC#N)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001579003721 1165184965 /nfs/dbraw/zinc/18/49/65/1165184965.db2.gz DGIYDRGNGZLXLL-JTQLQIEISA-N -1 3 314.353 0.112 20 30 DCEDHM CN(CC#N)C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001579003721 1165184967 /nfs/dbraw/zinc/18/49/67/1165184967.db2.gz DGIYDRGNGZLXLL-JTQLQIEISA-N -1 3 314.353 0.112 20 30 DCEDHM CN(C[C@H](O)c1cccc(C#N)c1)c1cc(-c2nnn[n-]2)cnn1 ZINC001579063466 1165197292 /nfs/dbraw/zinc/19/72/92/1165197292.db2.gz CJSTUIFJZBPYJH-ZDUSSCGKSA-N -1 3 322.332 0.698 20 30 DCEDHM CN(C[C@H](O)c1cccc(C#N)c1)c1cc(-c2nn[n-]n2)cnn1 ZINC001579063466 1165197295 /nfs/dbraw/zinc/19/72/95/1165197295.db2.gz CJSTUIFJZBPYJH-ZDUSSCGKSA-N -1 3 322.332 0.698 20 30 DCEDHM CN(C[C@@H](O)c1cccc(C#N)c1)c1nnccc1-c1nnn[n-]1 ZINC001579063490 1165198166 /nfs/dbraw/zinc/19/81/66/1165198166.db2.gz DDELGRZPTOQVAV-CYBMUJFWSA-N -1 3 322.332 0.698 20 30 DCEDHM CN(C[C@@H](O)c1cccc(C#N)c1)c1nnccc1-c1nn[n-]n1 ZINC001579063490 1165198171 /nfs/dbraw/zinc/19/81/71/1165198171.db2.gz DDELGRZPTOQVAV-CYBMUJFWSA-N -1 3 322.332 0.698 20 30 DCEDHM COc1ncc(NC(=O)N(C)C[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC001580134854 1165513488 /nfs/dbraw/zinc/51/34/88/1165513488.db2.gz NOTDZJMPBBSEFH-MRVPVSSYSA-N -1 3 316.325 0.894 20 30 DCEDHM COc1ncc(NC(=O)c2cnccc2-c2nnn[n-]2)cc1C#N ZINC001580139520 1165516335 /nfs/dbraw/zinc/51/63/35/1165516335.db2.gz BQSNMQBOUIPGCD-UHFFFAOYSA-N -1 3 322.288 0.789 20 30 DCEDHM COc1ncc(NC(=O)c2cnccc2-c2nn[n-]n2)cc1C#N ZINC001580139520 1165516347 /nfs/dbraw/zinc/51/63/47/1165516347.db2.gz BQSNMQBOUIPGCD-UHFFFAOYSA-N -1 3 322.288 0.789 20 30 DCEDHM Cc1c(C#N)c(NC(=O)c2ncc(-c3nnn[n-]3)cc2C)nn1C ZINC001580625900 1165664705 /nfs/dbraw/zinc/66/47/05/1165664705.db2.gz HKFITZVEXADMHV-UHFFFAOYSA-N -1 3 323.320 0.736 20 30 DCEDHM Cc1c(C#N)c(NC(=O)c2ncc(-c3nn[n-]n3)cc2C)nn1C ZINC001580625900 1165664711 /nfs/dbraw/zinc/66/47/11/1165664711.db2.gz HKFITZVEXADMHV-UHFFFAOYSA-N -1 3 323.320 0.736 20 30 DCEDHM Cn1ccnc1[C@H]1CCN(c2cnc(-c3nn[n-]n3)c(C#N)n2)C1 ZINC001581797536 1165877317 /nfs/dbraw/zinc/87/73/17/1165877317.db2.gz GJYGJJJJZPFSQP-VIFPVBQESA-N -1 3 322.336 0.256 20 30 DCEDHM N#CCC1(O)CN(C(=O)c2ccc3c(c2)[nH]cc3-c2nnn[n-]2)C1 ZINC001581858111 1165889573 /nfs/dbraw/zinc/88/95/73/1165889573.db2.gz QTCRGDIXIVBOLG-UHFFFAOYSA-N -1 3 323.316 0.449 20 30 DCEDHM N#CCC1(O)CN(C(=O)c2ccc3c(c2)[nH]cc3-c2nn[n-]n2)C1 ZINC001581858111 1165889579 /nfs/dbraw/zinc/88/95/79/1165889579.db2.gz QTCRGDIXIVBOLG-UHFFFAOYSA-N -1 3 323.316 0.449 20 30 DCEDHM N#CCNC[C@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001581858173 1165891470 /nfs/dbraw/zinc/89/14/70/1165891470.db2.gz TUHPWIZVUZSMKE-LLVKDONJSA-N -1 3 314.353 0.303 20 30 DCEDHM N#CCNC[C@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001581858173 1165891475 /nfs/dbraw/zinc/89/14/75/1165891475.db2.gz TUHPWIZVUZSMKE-LLVKDONJSA-N -1 3 314.353 0.303 20 30 DCEDHM N#C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001581860216 1165892444 /nfs/dbraw/zinc/89/24/44/1165892444.db2.gz PNRICJYMSPIRES-GXSJLCMTSA-N -1 3 318.362 0.837 20 30 DCEDHM N#C[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001581860216 1165892446 /nfs/dbraw/zinc/89/24/46/1165892446.db2.gz PNRICJYMSPIRES-GXSJLCMTSA-N -1 3 318.362 0.837 20 30 DCEDHM C=CCOCC(=O)NC[C@H]1CCN1C(=O)c1c(C)nc[n-]c1=O ZINC001584611033 1166338605 /nfs/dbraw/zinc/33/86/05/1166338605.db2.gz MJKXHKIOHIHKSV-LLVKDONJSA-N -1 3 320.349 0.024 20 30 DCEDHM C#C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1)C(C)C ZINC001588329036 1166523206 /nfs/dbraw/zinc/52/32/06/1166523206.db2.gz WLBLNODYCLKTDJ-LBPRGKRZSA-N -1 3 323.353 0.942 20 30 DCEDHM C#C[C@H](NS(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1)C(C)C ZINC001588329036 1166523209 /nfs/dbraw/zinc/52/32/09/1166523209.db2.gz WLBLNODYCLKTDJ-LBPRGKRZSA-N -1 3 323.353 0.942 20 30 DCEDHM C#C[C@H](C)NC(=O)N(C)C[C@@H](O)c1cccc(-c2nnn[n-]2)c1 ZINC001588326145 1166524418 /nfs/dbraw/zinc/52/44/18/1166524418.db2.gz FOLOTDFMMTXKJH-GXFFZTMASA-N -1 3 314.349 0.563 20 30 DCEDHM C#C[C@H](C)NC(=O)N(C)C[C@@H](O)c1cccc(-c2nn[n-]n2)c1 ZINC001588326145 1166524428 /nfs/dbraw/zinc/52/44/28/1166524428.db2.gz FOLOTDFMMTXKJH-GXFFZTMASA-N -1 3 314.349 0.563 20 30 DCEDHM C#C[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC001588326184 1166524756 /nfs/dbraw/zinc/52/47/56/1166524756.db2.gz GLLMXXZLEKEVRP-SSDOTTSWSA-N -1 3 318.724 0.597 20 30 DCEDHM C#C[C@@H](C)NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC001588326184 1166524762 /nfs/dbraw/zinc/52/47/62/1166524762.db2.gz GLLMXXZLEKEVRP-SSDOTTSWSA-N -1 3 318.724 0.597 20 30 DCEDHM C#C[C@@H](NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001588329934 1166526791 /nfs/dbraw/zinc/52/67/91/1166526791.db2.gz RERRVVHSFMHDQL-DGCLKSJQSA-N -1 3 312.333 0.481 20 30 DCEDHM C#C[C@@H](NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001588329934 1166526798 /nfs/dbraw/zinc/52/67/98/1166526798.db2.gz RERRVVHSFMHDQL-DGCLKSJQSA-N -1 3 312.333 0.481 20 30 DCEDHM C#C[C@@H]1COCCN1C(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001588331022 1166527184 /nfs/dbraw/zinc/52/71/84/1166527184.db2.gz NKBKLTSKUBZLNF-SNVBAGLBSA-N -1 3 314.374 0.898 20 30 DCEDHM C#C[C@@H]1COCCN1C(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001588331022 1166527188 /nfs/dbraw/zinc/52/71/88/1166527188.db2.gz NKBKLTSKUBZLNF-SNVBAGLBSA-N -1 3 314.374 0.898 20 30 DCEDHM C#C[C@@H]1COCCN1C(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588331413 1166529050 /nfs/dbraw/zinc/52/90/50/1166529050.db2.gz RWYFEYKVRYDOGY-CQSZACIVSA-N -1 3 311.345 0.660 20 30 DCEDHM C#C[C@@H]1COCCN1C(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588331413 1166529058 /nfs/dbraw/zinc/52/90/58/1166529058.db2.gz RWYFEYKVRYDOGY-CQSZACIVSA-N -1 3 311.345 0.660 20 30 DCEDHM C#CC1(O)CN(C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588332976 1166529282 /nfs/dbraw/zinc/52/92/82/1166529282.db2.gz ADALRCPIOOXYIP-SNVBAGLBSA-N -1 3 312.333 0.317 20 30 DCEDHM C#CC1(O)CN(C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588332976 1166529289 /nfs/dbraw/zinc/52/92/89/1166529289.db2.gz ADALRCPIOOXYIP-SNVBAGLBSA-N -1 3 312.333 0.317 20 30 DCEDHM C#CCCN(CCOC)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588346479 1166534176 /nfs/dbraw/zinc/53/41/76/1166534176.db2.gz OFNXYWAELSWLAV-UHFFFAOYSA-N -1 3 313.361 0.908 20 30 DCEDHM C#CCCN(CCOC)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588346479 1166534185 /nfs/dbraw/zinc/53/41/85/1166534185.db2.gz OFNXYWAELSWLAV-UHFFFAOYSA-N -1 3 313.361 0.908 20 30 DCEDHM C#CCN(C)c1nnc(-c2cncc(-c3nnn[n-]3)c2)n1CC ZINC001588349988 1166540293 /nfs/dbraw/zinc/54/02/93/1166540293.db2.gz XGIIKPWDBXWMQV-UHFFFAOYSA-N -1 3 309.337 0.610 20 30 DCEDHM C#CCN(C)c1nnc(-c2cncc(-c3nn[n-]n3)c2)n1CC ZINC001588349988 1166540305 /nfs/dbraw/zinc/54/03/05/1166540305.db2.gz XGIIKPWDBXWMQV-UHFFFAOYSA-N -1 3 309.337 0.610 20 30 DCEDHM C#CCN(CC#C)c1nnc(-c2ccc(-c3nnn[n-]3)[nH]2)n1CC ZINC001588349368 1166540514 /nfs/dbraw/zinc/54/05/14/1166540514.db2.gz BIMJVRNIECZEHI-UHFFFAOYSA-N -1 3 321.348 0.546 20 30 DCEDHM C#CCN(CC#C)c1nnc(-c2ccc(-c3nn[n-]n3)[nH]2)n1CC ZINC001588349368 1166540519 /nfs/dbraw/zinc/54/05/19/1166540519.db2.gz BIMJVRNIECZEHI-UHFFFAOYSA-N -1 3 321.348 0.546 20 30 DCEDHM C#CCOCCNS(=O)(=O)c1c(C)cccc1-c1nnn[n-]1 ZINC001588363588 1166548849 /nfs/dbraw/zinc/54/88/49/1166548849.db2.gz OXWDWWKUKDISAU-UHFFFAOYSA-N -1 3 321.362 0.103 20 30 DCEDHM C#CCOCCNS(=O)(=O)c1c(C)cccc1-c1nn[n-]n1 ZINC001588363588 1166548856 /nfs/dbraw/zinc/54/88/56/1166548856.db2.gz OXWDWWKUKDISAU-UHFFFAOYSA-N -1 3 321.362 0.103 20 30 DCEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588400556 1166549048 /nfs/dbraw/zinc/54/90/48/1166549048.db2.gz ASDKHDRHYRBCES-GXFFZTMASA-N -1 3 316.365 0.916 20 30 DCEDHM C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588400556 1166549054 /nfs/dbraw/zinc/54/90/54/1166549054.db2.gz ASDKHDRHYRBCES-GXFFZTMASA-N -1 3 316.365 0.916 20 30 DCEDHM C=C[C@H](O)C(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC001588525037 1166559694 /nfs/dbraw/zinc/55/96/94/1166559694.db2.gz APKSEZBGXDFGAZ-STQMWFEESA-N -1 3 315.333 0.314 20 30 DCEDHM C=C[C@H](O)C(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC001588525037 1166559702 /nfs/dbraw/zinc/55/97/02/1166559702.db2.gz APKSEZBGXDFGAZ-STQMWFEESA-N -1 3 315.333 0.314 20 30 DCEDHM C=CCC1(O)CN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001588559990 1166562770 /nfs/dbraw/zinc/56/27/70/1166562770.db2.gz MWWUPLREQBMHSD-UHFFFAOYSA-N -1 3 303.282 0.297 20 30 DCEDHM C=CCC1(O)CN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001588559990 1166562775 /nfs/dbraw/zinc/56/27/75/1166562775.db2.gz MWWUPLREQBMHSD-UHFFFAOYSA-N -1 3 303.282 0.297 20 30 DCEDHM C=CCN1CC[C@@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588657682 1166574423 /nfs/dbraw/zinc/57/44/23/1166574423.db2.gz SNRYSLFLIHZDDQ-SNVBAGLBSA-N -1 3 301.354 0.527 20 30 DCEDHM C=CCNC(=O)NC(=O)COc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588658533 1166575761 /nfs/dbraw/zinc/57/57/61/1166575761.db2.gz OXPWIZROPMDKRT-UHFFFAOYSA-N -1 3 320.284 0.396 20 30 DCEDHM C=CCNC(=O)NC(=O)COc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588658533 1166575771 /nfs/dbraw/zinc/57/57/71/1166575771.db2.gz OXPWIZROPMDKRT-UHFFFAOYSA-N -1 3 320.284 0.396 20 30 DCEDHM C=CCOCCOC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001588683267 1166580036 /nfs/dbraw/zinc/58/00/36/1166580036.db2.gz PPNLMOWVASTPEO-UHFFFAOYSA-N -1 3 304.306 0.991 20 30 DCEDHM C=CCOCCOC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001588683267 1166580040 /nfs/dbraw/zinc/58/00/40/1166580040.db2.gz PPNLMOWVASTPEO-UHFFFAOYSA-N -1 3 304.306 0.991 20 30 DCEDHM C=C[C@H](CO)N[C@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC001588727616 1166582989 /nfs/dbraw/zinc/58/29/89/1166582989.db2.gz FCLKWGVTAMFNHV-SCZZXKLOSA-N -1 3 320.378 0.170 20 30 DCEDHM C=C[C@H](CO)N[C@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC001588727616 1166582990 /nfs/dbraw/zinc/58/29/90/1166582990.db2.gz FCLKWGVTAMFNHV-SCZZXKLOSA-N -1 3 320.378 0.170 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001588738400 1166585212 /nfs/dbraw/zinc/58/52/12/1166585212.db2.gz NRCSUYNVDUPEIS-VIFPVBQESA-N -1 3 320.740 0.419 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588738400 1166585215 /nfs/dbraw/zinc/58/52/15/1166585215.db2.gz NRCSUYNVDUPEIS-VIFPVBQESA-N -1 3 320.740 0.419 20 30 DCEDHM CC(=NN[C@H]1CCS(=O)(=O)C1)c1ccccc1-c1nnn[n-]1 ZINC001588776212 1166587000 /nfs/dbraw/zinc/58/70/00/1166587000.db2.gz FCWBMUAORDNUNG-JTQLQIEISA-N -1 3 320.378 0.367 20 30 DCEDHM CC(=NN[C@H]1CCS(=O)(=O)C1)c1ccccc1-c1nn[n-]n1 ZINC001588776212 1166587004 /nfs/dbraw/zinc/58/70/04/1166587004.db2.gz FCWBMUAORDNUNG-JTQLQIEISA-N -1 3 320.378 0.367 20 30 DCEDHM CC(C)C#CC(=O)NC[C@@H](C)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001589388018 1166654652 /nfs/dbraw/zinc/65/46/52/1166654652.db2.gz RSUBKTMWKQZBCX-LLVKDONJSA-N -1 3 313.365 0.838 20 30 DCEDHM CC(C)C#CC(=O)NC[C@@H](C)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001589388018 1166654657 /nfs/dbraw/zinc/65/46/57/1166654657.db2.gz RSUBKTMWKQZBCX-LLVKDONJSA-N -1 3 313.365 0.838 20 30 DCEDHM C[C@@]1(C#N)CN(CCOc2ccccc2-c2nnn[n-]2)CCO1 ZINC001590056336 1166763102 /nfs/dbraw/zinc/76/31/02/1166763102.db2.gz HMACVYXNDCPXIG-OAHLLOKOSA-N -1 3 314.349 0.860 20 30 DCEDHM C[C@@]1(C#N)CN(CCOc2ccccc2-c2nn[n-]n2)CCO1 ZINC001590056336 1166763108 /nfs/dbraw/zinc/76/31/08/1166763108.db2.gz HMACVYXNDCPXIG-OAHLLOKOSA-N -1 3 314.349 0.860 20 30 DCEDHM CCC(=NN1CC(=O)N(C)C1=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590359300 1166881459 /nfs/dbraw/zinc/88/14/59/1166881459.db2.gz YIKTUHZCKIOKGB-UHFFFAOYSA-N -1 3 313.321 0.875 20 30 DCEDHM CCC(=NN1CC(=O)N(C)C1=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590359300 1166881463 /nfs/dbraw/zinc/88/14/63/1166881463.db2.gz YIKTUHZCKIOKGB-UHFFFAOYSA-N -1 3 313.321 0.875 20 30 DCEDHM CCC(=Nn1cnn(CC)c1=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590360044 1166885400 /nfs/dbraw/zinc/88/54/00/1166885400.db2.gz QUWFKRGTDJQVNM-UHFFFAOYSA-N -1 3 312.337 0.907 20 30 DCEDHM CCC(=Nn1cnn(CC)c1=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590360044 1166885404 /nfs/dbraw/zinc/88/54/04/1166885404.db2.gz QUWFKRGTDJQVNM-UHFFFAOYSA-N -1 3 312.337 0.907 20 30 DCEDHM CC[C@H](CC#N)NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001590419681 1166903235 /nfs/dbraw/zinc/90/32/35/1166903235.db2.gz PBJMKPRGJSOMOQ-SNVBAGLBSA-N -1 3 300.326 0.482 20 30 DCEDHM CC[C@H](CC#N)NC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001590419681 1166903241 /nfs/dbraw/zinc/90/32/41/1166903241.db2.gz PBJMKPRGJSOMOQ-SNVBAGLBSA-N -1 3 300.326 0.482 20 30 DCEDHM CC[C@@H](C#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001590855319 1167038669 /nfs/dbraw/zinc/03/86/69/1167038669.db2.gz IFYRHICUHUTQTK-VIFPVBQESA-N -1 3 306.351 0.756 20 30 DCEDHM CN(C)C[C@](C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC001591011893 1167079965 /nfs/dbraw/zinc/07/99/65/1167079965.db2.gz CLLSTCABWSZMBT-LBPRGKRZSA-N -1 3 305.367 0.502 20 30 DCEDHM CN(C)C[C@](C)(C#N)NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC001591011893 1167079969 /nfs/dbraw/zinc/07/99/69/1167079969.db2.gz CLLSTCABWSZMBT-LBPRGKRZSA-N -1 3 305.367 0.502 20 30 DCEDHM CN(CC(C)(C)C#N)[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591038880 1167089585 /nfs/dbraw/zinc/08/95/85/1167089585.db2.gz BALYIUDUIHFQKS-LBPRGKRZSA-N -1 3 313.365 0.875 20 30 DCEDHM CN(CC(C)(C)C#N)[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591038880 1167089589 /nfs/dbraw/zinc/08/95/89/1167089589.db2.gz BALYIUDUIHFQKS-LBPRGKRZSA-N -1 3 313.365 0.875 20 30 DCEDHM CNC(=O)[C@H]1CCCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001591204266 1167153679 /nfs/dbraw/zinc/15/36/79/1167153679.db2.gz SXAWZRXNWIKZMZ-NSHDSACASA-N -1 3 311.349 0.701 20 30 DCEDHM CNC(=O)[C@H]1CCCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001591204266 1167153680 /nfs/dbraw/zinc/15/36/80/1167153680.db2.gz SXAWZRXNWIKZMZ-NSHDSACASA-N -1 3 311.349 0.701 20 30 DCEDHM COC(=O)[C@@H]1CCCC[C@H]1Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001591253949 1167179904 /nfs/dbraw/zinc/17/99/04/1167179904.db2.gz GEWSEIRHWPGCRU-VHSXEESVSA-N -1 3 315.337 0.914 20 30 DCEDHM Cc1c(C(=O)N2CCO[C@@](C)(C#N)C2)cccc1-c1nnn[n-]1 ZINC001591802644 1167384666 /nfs/dbraw/zinc/38/46/66/1167384666.db2.gz BVEPMSCCKZBSAG-HNNXBMFYSA-N -1 3 312.333 0.930 20 30 DCEDHM Cc1c(C(=O)N2CCO[C@@](C)(C#N)C2)cccc1-c1nn[n-]n1 ZINC001591802644 1167384672 /nfs/dbraw/zinc/38/46/72/1167384672.db2.gz BVEPMSCCKZBSAG-HNNXBMFYSA-N -1 3 312.333 0.930 20 30 DCEDHM Cc1cc(F)c(-c2nnn[n-]2)c(N2CCN(CC#N)CC2)c1 ZINC001591982043 1167430836 /nfs/dbraw/zinc/43/08/36/1167430836.db2.gz YMPAVSSLCHMCQT-UHFFFAOYSA-N -1 3 301.329 0.960 20 30 DCEDHM Cc1cc(F)c(-c2nn[n-]n2)c(N2CCN(CC#N)CC2)c1 ZINC001591982043 1167430840 /nfs/dbraw/zinc/43/08/40/1167430840.db2.gz YMPAVSSLCHMCQT-UHFFFAOYSA-N -1 3 301.329 0.960 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC001592341284 1167496277 /nfs/dbraw/zinc/49/62/77/1167496277.db2.gz VKRIZZPPFYOGTA-WCABBAIRSA-N -1 3 301.310 0.047 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC001592341284 1167496278 /nfs/dbraw/zinc/49/62/78/1167496278.db2.gz VKRIZZPPFYOGTA-WCABBAIRSA-N -1 3 301.310 0.047 20 30 DCEDHM Cc1nnc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)o1 ZINC001592443468 1167524589 /nfs/dbraw/zinc/52/45/89/1167524589.db2.gz HKMLOTJEFCAVDN-UHFFFAOYSA-N -1 3 315.322 0.699 20 30 DCEDHM Cc1nnc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)o1 ZINC001592443468 1167524591 /nfs/dbraw/zinc/52/45/91/1167524591.db2.gz HKMLOTJEFCAVDN-UHFFFAOYSA-N -1 3 315.322 0.699 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC(F)C1 ZINC001592665166 1167591104 /nfs/dbraw/zinc/59/11/04/1167591104.db2.gz MBQVCQCKFUEDMJ-NSHDSACASA-N -1 3 300.297 0.729 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1cccnn1 ZINC001592668102 1167592267 /nfs/dbraw/zinc/59/22/67/1167592267.db2.gz HPMFJQQZMWDRDD-LBPRGKRZSA-N -1 3 320.316 0.978 20 30 DCEDHM N#CC1CCN(c2ncc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC001592672244 1167593733 /nfs/dbraw/zinc/59/37/33/1167593733.db2.gz FZADNNZVFMOJLI-UHFFFAOYSA-N -1 3 300.282 0.910 20 30 DCEDHM N#CC1CCN(c2ncc(-c3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC001592672244 1167593734 /nfs/dbraw/zinc/59/37/34/1167593734.db2.gz FZADNNZVFMOJLI-UHFFFAOYSA-N -1 3 300.282 0.910 20 30 DCEDHM N#CC[C@@]1(O)CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001592676036 1167597209 /nfs/dbraw/zinc/59/72/09/1167597209.db2.gz ZVIMJXOVKWXHNT-CQSZACIVSA-N -1 3 302.313 0.856 20 30 DCEDHM N#CC[C@@]1(O)CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001592676036 1167597214 /nfs/dbraw/zinc/59/72/14/1167597214.db2.gz ZVIMJXOVKWXHNT-CQSZACIVSA-N -1 3 302.313 0.856 20 30 DCEDHM N#CCNC[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001592678925 1167598091 /nfs/dbraw/zinc/59/80/91/1167598091.db2.gz YHUGUGHAPBNMDE-ONGXEEELSA-N -1 3 314.353 0.206 20 30 DCEDHM N#CCNC[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001592678925 1167598094 /nfs/dbraw/zinc/59/80/94/1167598094.db2.gz YHUGUGHAPBNMDE-ONGXEEELSA-N -1 3 314.353 0.206 20 30 DCEDHM N#CCCN1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC001592678191 1167600005 /nfs/dbraw/zinc/60/00/05/1167600005.db2.gz PBNBGGBTVDGNGU-UHFFFAOYSA-N -1 3 324.392 0.786 20 30 DCEDHM N#CCCN1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC001592678191 1167600010 /nfs/dbraw/zinc/60/00/10/1167600010.db2.gz PBNBGGBTVDGNGU-UHFFFAOYSA-N -1 3 324.392 0.786 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1NCC1(CO)CCOCC1 ZINC001592699047 1167604277 /nfs/dbraw/zinc/60/42/77/1167604277.db2.gz NZLWRLJBYRLGEI-UHFFFAOYSA-N -1 3 314.349 0.939 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NCC1(CO)CCOCC1 ZINC001592699047 1167604280 /nfs/dbraw/zinc/60/42/80/1167604280.db2.gz NZLWRLJBYRLGEI-UHFFFAOYSA-N -1 3 314.349 0.939 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCN2C(=O)CC[C@@H]2C1 ZINC001592699289 1167604776 /nfs/dbraw/zinc/60/47/76/1167604776.db2.gz VHMWMUPWMGEWKQ-LLVKDONJSA-N -1 3 309.333 0.549 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCN2C(=O)CC[C@@H]2C1 ZINC001592699289 1167604779 /nfs/dbraw/zinc/60/47/79/1167604779.db2.gz VHMWMUPWMGEWKQ-LLVKDONJSA-N -1 3 309.333 0.549 20 30 DCEDHM N#Cc1ncc(OCCOc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001592708828 1167607413 /nfs/dbraw/zinc/60/74/13/1167607413.db2.gz SNIFJQWXGJUPGZ-UHFFFAOYSA-N -1 3 309.289 0.986 20 30 DCEDHM N#Cc1ncn(CN2C(=O)c3ccccc3C2=O)c1-c1nnn[n-]1 ZINC001592709545 1167610161 /nfs/dbraw/zinc/61/01/61/1167610161.db2.gz JEFWNASMPSSTGZ-UHFFFAOYSA-N -1 3 320.272 0.189 20 30 DCEDHM O=C(NCC#CCO)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001593005363 1167683418 /nfs/dbraw/zinc/68/34/18/1167683418.db2.gz USOUICIILILZCD-UHFFFAOYSA-N -1 3 306.713 0.637 20 30 DCEDHM N#Cc1sccc1N1CCN(C(=O)[C@H](N)CCC(=O)[O-])CC1 ZINC001601135737 1168593936 /nfs/dbraw/zinc/59/39/36/1168593936.db2.gz LMUGWFHCVUCIKP-SNVBAGLBSA-N -1 3 322.390 0.460 20 30 DCEDHM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 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ZINC001581869173 1165893981 /nfs/dbraw/zinc/89/39/81/1165893981.db2.gz LNKJYZBBPTZBIO-UHFFFAOYSA-N -1 3 320.316 0.387 20 30 DCEDHM N#Cc1ccc(CC(=O)NCc2cncc(-c3nn[n-]n3)c2)cn1 ZINC001581869173 1165893990 /nfs/dbraw/zinc/89/39/90/1165893990.db2.gz LNKJYZBBPTZBIO-UHFFFAOYSA-N -1 3 320.316 0.387 20 30 DCEDHM N#Cc1ncn(C[C@@H]2CCC[C@@]3(CCOC3)O2)c1-c1nnn[n-]1 ZINC001581885802 1165904710 /nfs/dbraw/zinc/90/47/10/1165904710.db2.gz NGOCYGBHNSTLTK-HZMBPMFUSA-N -1 3 315.337 0.663 20 30 DCEDHM C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC001588325828 1165912946 /nfs/dbraw/zinc/91/29/46/1165912946.db2.gz WZVXQYIKPUHCQM-SNVBAGLBSA-N -1 3 305.363 0.817 20 30 DCEDHM C#C[C@@H](C)N(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC001588325828 1165912953 /nfs/dbraw/zinc/91/29/53/1165912953.db2.gz WZVXQYIKPUHCQM-SNVBAGLBSA-N -1 3 305.363 0.817 20 30 DCEDHM C[C@@H](CNC(=O)C#CC(C)(C)C)CNC(=O)c1cnc[n-]c1=O ZINC001582836711 1166107595 /nfs/dbraw/zinc/10/75/95/1166107595.db2.gz VDSDKZUZAACOMD-NSHDSACASA-N -1 3 318.377 0.714 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)NC/C=C\CNC(=O)C#CC(C)C ZINC001583299564 1166240451 /nfs/dbraw/zinc/24/04/51/1166240451.db2.gz LVRBYQWEQPVASE-PLNGDYQASA-N -1 3 316.361 0.552 20 30 DCEDHM C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3nnn[n-]3)n2C)n1C ZINC001588326863 1166524594 /nfs/dbraw/zinc/52/45/94/1166524594.db2.gz XDEKIYWUVWAJKF-VIFPVBQESA-N -1 3 311.353 0.459 20 30 DCEDHM C#C[C@H](C)N(C)c1nnc(-c2ccc(-c3nn[n-]n3)n2C)n1C ZINC001588326863 1166524603 /nfs/dbraw/zinc/52/46/03/1166524603.db2.gz XDEKIYWUVWAJKF-VIFPVBQESA-N -1 3 311.353 0.459 20 30 DCEDHM C#C[C@H](C)NC(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001588326675 1166525036 /nfs/dbraw/zinc/52/50/36/1166525036.db2.gz RPJNJFPIMQMUNH-VIFPVBQESA-N -1 3 323.320 0.591 20 30 DCEDHM C#C[C@H](C)NC(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001588326675 1166525044 /nfs/dbraw/zinc/52/50/44/1166525044.db2.gz RPJNJFPIMQMUNH-VIFPVBQESA-N -1 3 323.320 0.591 20 30 DCEDHM C#C[C@H]1COCCN1c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001588331015 1166526666 /nfs/dbraw/zinc/52/66/66/1166526666.db2.gz NJRDCPXLFZIDSL-VIFPVBQESA-N -1 3 300.278 0.613 20 30 DCEDHM C#CC[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1C)C(=O)OC ZINC001588334410 1166532573 /nfs/dbraw/zinc/53/25/73/1166532573.db2.gz WUTKQFNSIHGJQP-LBPRGKRZSA-N -1 3 313.317 0.470 20 30 DCEDHM C#CC[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1C)C(=O)OC ZINC001588334410 1166532581 /nfs/dbraw/zinc/53/25/81/1166532581.db2.gz WUTKQFNSIHGJQP-LBPRGKRZSA-N -1 3 313.317 0.470 20 30 DCEDHM C#CCN1CCC[C@H]1COC(=O)c1ccc(-c2nnn[n-]2)o1 ZINC001588352538 1166542110 /nfs/dbraw/zinc/54/21/10/1166542110.db2.gz NRKDKXSLRABASV-JTQLQIEISA-N -1 3 301.306 0.714 20 30 DCEDHM C#CCN1CCC[C@H]1COC(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001588352538 1166542120 /nfs/dbraw/zinc/54/21/20/1166542120.db2.gz NRKDKXSLRABASV-JTQLQIEISA-N -1 3 301.306 0.714 20 30 DCEDHM C#CCN(CC(=O)Nc1sccc1-c1nnn[n-]1)C1CC1 ZINC001588350249 1166542200 /nfs/dbraw/zinc/54/22/00/1166542200.db2.gz KVNPEAJBLOPFQV-UHFFFAOYSA-N -1 3 302.363 0.964 20 30 DCEDHM C#CCN(CC(=O)Nc1sccc1-c1nn[n-]n1)C1CC1 ZINC001588350249 1166542207 /nfs/dbraw/zinc/54/22/07/1166542207.db2.gz KVNPEAJBLOPFQV-UHFFFAOYSA-N -1 3 302.363 0.964 20 30 DCEDHM C#CCOCCN(C)C(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC001588362919 1166546230 /nfs/dbraw/zinc/54/62/30/1166546230.db2.gz YWRWXGQHGONFAZ-UHFFFAOYSA-N -1 3 314.349 0.387 20 30 DCEDHM C#CCOCCN1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588363565 1166548403 /nfs/dbraw/zinc/54/84/03/1166548403.db2.gz NUKLKEHMBWEVEW-OAHLLOKOSA-N -1 3 313.361 0.890 20 30 DCEDHM C#CCOCCN1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588363565 1166548409 /nfs/dbraw/zinc/54/84/09/1166548409.db2.gz NUKLKEHMBWEVEW-OAHLLOKOSA-N -1 3 313.361 0.890 20 30 DCEDHM C#CCONC(=O)c1ccn(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588363644 1166548711 /nfs/dbraw/zinc/54/87/11/1166548711.db2.gz RVTLNDRXRJMSBO-UHFFFAOYSA-N -1 3 309.289 0.347 20 30 DCEDHM C#CCONC(=O)c1ccn(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588363644 1166548718 /nfs/dbraw/zinc/54/87/18/1166548718.db2.gz RVTLNDRXRJMSBO-UHFFFAOYSA-N -1 3 309.289 0.347 20 30 DCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588406528 1166550655 /nfs/dbraw/zinc/55/06/55/1166550655.db2.gz VUBRMWRVWDVYRJ-LLVKDONJSA-N -1 3 315.337 0.671 20 30 DCEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588406528 1166550662 /nfs/dbraw/zinc/55/06/62/1166550662.db2.gz VUBRMWRVWDVYRJ-LLVKDONJSA-N -1 3 315.337 0.671 20 30 DCEDHM C=C(C)CCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588424492 1166554513 /nfs/dbraw/zinc/55/45/13/1166554513.db2.gz KTRQZXMYOUWPSC-UHFFFAOYSA-N -1 3 314.349 0.679 20 30 DCEDHM C=C(C)CCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588424492 1166554518 /nfs/dbraw/zinc/55/45/18/1166554518.db2.gz KTRQZXMYOUWPSC-UHFFFAOYSA-N -1 3 314.349 0.679 20 30 DCEDHM C=CC[C@H](CO)NC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001588545225 1166560892 /nfs/dbraw/zinc/56/08/92/1166560892.db2.gz ATNRZCNGZROAKW-SNVBAGLBSA-N -1 3 318.337 0.934 20 30 DCEDHM C=CC[C@H](CO)NC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001588545225 1166560893 /nfs/dbraw/zinc/56/08/93/1166560893.db2.gz ATNRZCNGZROAKW-SNVBAGLBSA-N -1 3 318.337 0.934 20 30 DCEDHM C=CCC1(O)CN(C(=O)c2ccc(-c3nnn[n-]3)c(OC)c2)C1 ZINC001588560055 1166562060 /nfs/dbraw/zinc/56/20/60/1166562060.db2.gz NJCYKVISBAPUQY-UHFFFAOYSA-N -1 3 315.333 0.638 20 30 DCEDHM C=CCC1(O)CN(C(=O)c2ccc(-c3nn[n-]n3)c(OC)c2)C1 ZINC001588560055 1166562065 /nfs/dbraw/zinc/56/20/65/1166562065.db2.gz NJCYKVISBAPUQY-UHFFFAOYSA-N -1 3 315.333 0.638 20 30 DCEDHM C=CCN(C(=O)c1cc(-c2nnn[n-]2)cn1C)[C@H](C)COC ZINC001588625697 1166570937 /nfs/dbraw/zinc/57/09/37/1166570937.db2.gz MIJFKCSRBXKHRL-SNVBAGLBSA-N -1 3 304.354 0.868 20 30 DCEDHM C=CCN(C(=O)c1cc(-c2nn[n-]n2)cn1C)[C@H](C)COC ZINC001588625697 1166570938 /nfs/dbraw/zinc/57/09/38/1166570938.db2.gz MIJFKCSRBXKHRL-SNVBAGLBSA-N -1 3 304.354 0.868 20 30 DCEDHM C=CCONC(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588689233 1166581152 /nfs/dbraw/zinc/58/11/52/1166581152.db2.gz JDDMGLYAXJDJCK-UHFFFAOYSA-N -1 3 316.321 0.757 20 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ROYAMTBUYKITGP-MRVPVSSYSA-N -1 3 321.366 0.110 20 30 DCEDHM C[C@@H](C#N)CN(C)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588930761 1166619664 /nfs/dbraw/zinc/61/96/64/1166619664.db2.gz KLGFRFDYUXGJQH-AAEUAGOBSA-N -1 3 316.365 0.698 20 30 DCEDHM C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588930727 1166620001 /nfs/dbraw/zinc/62/00/01/1166620001.db2.gz IZPFRGMRJZJARY-SECBINFHSA-N -1 3 313.321 0.423 20 30 DCEDHM C[C@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588930727 1166620003 /nfs/dbraw/zinc/62/00/03/1166620003.db2.gz IZPFRGMRJZJARY-SECBINFHSA-N -1 3 313.321 0.423 20 30 DCEDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NCC#N ZINC001589482345 1166660529 /nfs/dbraw/zinc/66/05/29/1166660529.db2.gz CCVUOEOKOOJSJY-GFCCVEGCSA-N -1 3 300.322 0.910 20 30 DCEDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NCC#N ZINC001589482345 1166660536 /nfs/dbraw/zinc/66/05/36/1166660536.db2.gz CCVUOEOKOOJSJY-GFCCVEGCSA-N -1 3 300.322 0.910 20 30 DCEDHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCC#N ZINC001589797751 1166691438 /nfs/dbraw/zinc/69/14/38/1166691438.db2.gz GLMDSLIRLFXKJL-RKDXNWHRSA-N -1 3 302.342 0.205 20 30 DCEDHM C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCC#N ZINC001589797751 1166691439 /nfs/dbraw/zinc/69/14/39/1166691439.db2.gz GLMDSLIRLFXKJL-RKDXNWHRSA-N -1 3 302.342 0.205 20 30 DCEDHM C[C@H](CCCCNCC#N)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001589808353 1166691653 /nfs/dbraw/zinc/69/16/53/1166691653.db2.gz OXKMPMHLRIGHEA-SNVBAGLBSA-N -1 3 316.369 0.597 20 30 DCEDHM C[C@H](CCCCNCC#N)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001589808353 1166691655 /nfs/dbraw/zinc/69/16/55/1166691655.db2.gz OXKMPMHLRIGHEA-SNVBAGLBSA-N -1 3 316.369 0.597 20 30 DCEDHM C[C@@]1(C#N)CN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CCO1 ZINC001590056363 1166762680 /nfs/dbraw/zinc/76/26/80/1166762680.db2.gz IGUWZTSULRBWHY-OAHLLOKOSA-N -1 3 311.349 0.869 20 30 DCEDHM C[C@@]1(C#N)CN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CCO1 ZINC001590056363 1166762683 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C#CCSCCNS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735388226 598876496 /nfs/dbraw/zinc/87/64/96/598876496.db2.gz UPLQKUYGCZRNAD-UHFFFAOYSA-N -1 3 323.403 0.511 20 30 DCEDHM C#CCSCCNS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735388226 598876499 /nfs/dbraw/zinc/87/64/99/598876499.db2.gz UPLQKUYGCZRNAD-UHFFFAOYSA-N -1 3 323.403 0.511 20 30 DCEDHM N#CC1CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000737679784 599071190 /nfs/dbraw/zinc/07/11/90/599071190.db2.gz SRMAFSPEYWRREK-CYBMUJFWSA-N -1 3 311.349 0.629 20 30 DCEDHM N#CC1CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000737679784 599071192 /nfs/dbraw/zinc/07/11/92/599071192.db2.gz SRMAFSPEYWRREK-CYBMUJFWSA-N -1 3 311.349 0.629 20 30 DCEDHM C=CCOCC(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735437352 598288494 /nfs/dbraw/zinc/28/84/94/598288494.db2.gz FJPTXUPFMCBVQP-UHFFFAOYSA-N -1 3 317.305 0.551 20 30 DCEDHM C=CCOCC(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735437352 598288496 /nfs/dbraw/zinc/28/84/96/598288496.db2.gz FJPTXUPFMCBVQP-UHFFFAOYSA-N -1 3 317.305 0.551 20 30 DCEDHM C=CCCOCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000735416684 599295631 /nfs/dbraw/zinc/29/56/31/599295631.db2.gz OPHWGAGCLWIPHM-UHFFFAOYSA-N -1 3 321.366 0.700 20 30 DCEDHM C=CCCOCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000735416684 599295633 /nfs/dbraw/zinc/29/56/33/599295633.db2.gz OPHWGAGCLWIPHM-UHFFFAOYSA-N -1 3 321.366 0.700 20 30 DCEDHM CN(C)C[C@@H]1CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCO1 ZINC000737364277 600570135 /nfs/dbraw/zinc/57/01/35/600570135.db2.gz ATQKUYGOWMFGDC-HUUCEWRRSA-N -1 3 303.362 0.946 20 30 DCEDHM CN(C(=O)[O-])[C@@H]1CCN(C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000827882583 603817572 /nfs/dbraw/zinc/81/75/72/603817572.db2.gz PHLXEIRBLSATCA-KGLIPLIRSA-N -1 3 319.361 0.982 20 30 DCEDHM C=CCNC(=O)CN[C@@H](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000833376365 605300931 /nfs/dbraw/zinc/30/09/31/605300931.db2.gz BWGUAXWYIHDCJG-NSHDSACASA-N -1 3 319.361 0.994 20 30 DCEDHM C[C@H](C#N)CNS(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819856752 606047037 /nfs/dbraw/zinc/04/70/37/606047037.db2.gz LIEMNLYLWLMPFR-SECBINFHSA-N -1 3 306.351 0.446 20 30 DCEDHM C[C@H](C#N)CNS(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819856752 606047042 /nfs/dbraw/zinc/04/70/42/606047042.db2.gz LIEMNLYLWLMPFR-SECBINFHSA-N -1 3 306.351 0.446 20 30 DCEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)NC[C@H](C)C#N ZINC000822154214 606049965 /nfs/dbraw/zinc/04/99/65/606049965.db2.gz UIDRONXJDPETRM-MRVPVSSYSA-N -1 3 306.351 0.613 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)NC[C@H](C)C#N ZINC000822154214 606049971 /nfs/dbraw/zinc/04/99/71/606049971.db2.gz UIDRONXJDPETRM-MRVPVSSYSA-N -1 3 306.351 0.613 20 30 DCEDHM COC(=O)CN(CC#N)CCOc1cccc(-c2nnn[n-]2)c1 ZINC000821662436 606070719 /nfs/dbraw/zinc/07/07/19/606070719.db2.gz BXGCBDRQZOUQLW-UHFFFAOYSA-N -1 3 316.321 0.244 20 30 DCEDHM COC(=O)CN(CC#N)CCOc1cccc(-c2nn[n-]n2)c1 ZINC000821662436 606070722 /nfs/dbraw/zinc/07/07/22/606070722.db2.gz BXGCBDRQZOUQLW-UHFFFAOYSA-N -1 3 316.321 0.244 20 30 DCEDHM C#CCN(CC)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000819698408 606075422 /nfs/dbraw/zinc/07/54/22/606075422.db2.gz YRUZKOKTBREMSH-CQSZACIVSA-N -1 3 310.361 0.927 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819751016 606145591 /nfs/dbraw/zinc/14/55/91/606145591.db2.gz LXGJXJWXWKBVIM-JTQLQIEISA-N -1 3 315.333 0.643 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819751016 606145592 /nfs/dbraw/zinc/14/55/92/606145592.db2.gz LXGJXJWXWKBVIM-JTQLQIEISA-N -1 3 315.333 0.643 20 30 DCEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NC1(C#N)CCOCC1 ZINC000822631623 606290852 /nfs/dbraw/zinc/29/08/52/606290852.db2.gz BOJZHUOHTAXZPS-UHFFFAOYSA-N -1 3 301.310 0.008 20 30 DCEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NC1(C#N)CCOCC1 ZINC000822631623 606290854 /nfs/dbraw/zinc/29/08/54/606290854.db2.gz BOJZHUOHTAXZPS-UHFFFAOYSA-N -1 3 301.310 0.008 20 30 DCEDHM O=S1(=O)CC[C@H](NN=Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC000823614913 606368189 /nfs/dbraw/zinc/36/81/89/606368189.db2.gz ULMGMNFYDRKKEK-ZETCQYMHSA-N -1 3 312.380 0.039 20 30 DCEDHM N#CCCN(CCC#N)CC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822810093 606641169 /nfs/dbraw/zinc/64/11/69/606641169.db2.gz CBTVNGZWGOWAEQ-UHFFFAOYSA-N -1 3 324.348 0.935 20 30 DCEDHM N#CCCN(CCC#N)CC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822810093 606641170 /nfs/dbraw/zinc/64/11/70/606641170.db2.gz CBTVNGZWGOWAEQ-UHFFFAOYSA-N -1 3 324.348 0.935 20 30 DCEDHM N#C[C@H]1CN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000822805770 606896459 /nfs/dbraw/zinc/89/64/59/606896459.db2.gz CKFHGRGCGLVUHL-QWHCGFSZSA-N -1 3 300.322 0.124 20 30 DCEDHM N#C[C@H]1CN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000822805770 606896460 /nfs/dbraw/zinc/89/64/60/606896460.db2.gz CKFHGRGCGLVUHL-QWHCGFSZSA-N -1 3 300.322 0.124 20 30 DCEDHM N#CCCCNC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000826381214 608142371 /nfs/dbraw/zinc/14/23/71/608142371.db2.gz BUEBQEHJCKCHFF-UHFFFAOYSA-N -1 3 317.284 0.364 20 30 DCEDHM N#CCCCNC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826381214 608142372 /nfs/dbraw/zinc/14/23/72/608142372.db2.gz BUEBQEHJCKCHFF-UHFFFAOYSA-N -1 3 317.284 0.364 20 30 DCEDHM CCN(C[C@@H](C)C#N)[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825399536 608154447 /nfs/dbraw/zinc/15/44/47/608154447.db2.gz XFWOYGVANNQZEP-GWCFXTLKSA-N -1 3 313.365 0.875 20 30 DCEDHM CCN(C[C@@H](C)C#N)[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825399536 608154449 /nfs/dbraw/zinc/15/44/49/608154449.db2.gz XFWOYGVANNQZEP-GWCFXTLKSA-N -1 3 313.365 0.875 20 30 DCEDHM N#CCNC(=O)CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826382289 608460362 /nfs/dbraw/zinc/46/03/62/608460362.db2.gz XBBQDGIJEQEXGV-UHFFFAOYSA-N -1 3 323.360 0.596 20 30 DCEDHM N#CCNC(=O)CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826382289 608460364 /nfs/dbraw/zinc/46/03/64/608460364.db2.gz XBBQDGIJEQEXGV-UHFFFAOYSA-N -1 3 323.360 0.596 20 30 DCEDHM N#CC1(CS(=O)(=O)Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826380184 609437671 /nfs/dbraw/zinc/43/76/71/609437671.db2.gz QHJZKJCRBXUVNW-UHFFFAOYSA-N -1 3 305.319 0.879 20 30 DCEDHM N#CC1(CS(=O)(=O)Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826380184 609437673 /nfs/dbraw/zinc/43/76/73/609437673.db2.gz QHJZKJCRBXUVNW-UHFFFAOYSA-N -1 3 305.319 0.879 20 30 DCEDHM C=CCCC[C@H]([N-]S(=O)(=O)C[C@@H]1CCOC1)C(=O)OC ZINC000921383726 665299099 /nfs/dbraw/zinc/29/90/99/665299099.db2.gz BFBJUZCLXKKBKB-NEPJUHHUSA-N -1 3 305.396 0.840 20 30 DCEDHM N#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1nnc2ccccc2c1[O-] ZINC001032659352 665595321 /nfs/dbraw/zinc/59/53/21/665595321.db2.gz ZYIKBNKEXFIMIH-QWRGUYRKSA-N -1 3 309.329 0.758 20 30 DCEDHM C=CCN(C)[C@H]1CCN(C(=O)c2c[n-]n3c2nccc3=O)C1 ZINC000972494836 658913619 /nfs/dbraw/zinc/91/36/19/658913619.db2.gz HEAWKRGHHNHHGG-NSHDSACASA-N -1 3 301.350 0.355 20 30 DCEDHM C=C1CN(C(=O)C[C@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)C1 ZINC000898698964 663103821 /nfs/dbraw/zinc/10/38/21/663103821.db2.gz VISGCXFZAYMPDF-NSHDSACASA-N -1 3 319.386 0.902 20 30 DCEDHM C#CC1CCN(C(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)CC1 ZINC000898807622 663108610 /nfs/dbraw/zinc/10/86/10/663108610.db2.gz LYVOSNZHBCWKSC-ZDUSSCGKSA-N -1 3 315.377 0.816 20 30 DCEDHM C#C[C@H]1CCCCN1C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898809180 663108761 /nfs/dbraw/zinc/10/87/61/663108761.db2.gz XINZYKMMPHZBCK-OLZOCXBDSA-N -1 3 315.377 0.958 20 30 DCEDHM C=CCN(CCOC)C(=O)N[C@@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000898812848 663109363 /nfs/dbraw/zinc/10/93/63/663109363.db2.gz NXBQYMSUHOWMHV-GFCCVEGCSA-N -1 3 321.381 0.605 20 30 DCEDHM C#Cc1ccc(C(=O)N2CC[C@H](NC(=O)c3cn[n-]n3)C2)cc1 ZINC000938239923 663359284 /nfs/dbraw/zinc/35/92/84/663359284.db2.gz VUTOTKGAWHDTMA-ZDUSSCGKSA-N -1 3 309.329 0.431 20 30 DCEDHM N#CCN1CC(N2CCN(C(=O)c3ccccc3[O-])CC2)C1 ZINC000941318922 665969298 /nfs/dbraw/zinc/96/92/98/665969298.db2.gz BFMDWMSLFLTJKO-UHFFFAOYSA-N -1 3 300.362 0.358 20 30 DCEDHM C=CCCC[C@@H](NC(=O)N[C@@H]1CCN(CCOC)C1)C(=O)[O-] ZINC000908945632 663775833 /nfs/dbraw/zinc/77/58/33/663775833.db2.gz DFEYBFYPHYZQNT-CHWSQXEVSA-N -1 3 313.398 0.816 20 30 DCEDHM C#CCN(C)CCCNC(=O)N1C[C@@H](OC)C[C@@]1(C)C(=O)[O-] ZINC000909037255 663778920 /nfs/dbraw/zinc/77/89/20/663778920.db2.gz FRLSWZPKDXOOOS-WFASDCNBSA-N -1 3 311.382 0.215 20 30 DCEDHM C=CCCC[C@@H](NC(=O)c1ccnn1CCN(C)C)C(=O)[O-] ZINC000910925484 663956543 /nfs/dbraw/zinc/95/65/43/663956543.db2.gz LMRGJUQGUOBAIZ-GFCCVEGCSA-N -1 3 308.382 0.984 20 30 DCEDHM N#Cc1cc(C(=O)N2CCC(NCc3n[nH]c(=O)[n-]3)CC2)c[nH]1 ZINC000991417270 664246474 /nfs/dbraw/zinc/24/64/74/664246474.db2.gz QCSGDPOSRSKWEO-UHFFFAOYSA-N -1 3 315.337 0.104 20 30 DCEDHM C[C@H](C#N)CN(C)S(=O)(=O)NCc1c([O-])cccc1F ZINC000921452591 665305328 /nfs/dbraw/zinc/30/53/28/665305328.db2.gz SYPKXFKAQJBKMR-SECBINFHSA-N -1 3 301.343 0.957 20 30 DCEDHM C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000941450573 666002431 /nfs/dbraw/zinc/00/24/31/666002431.db2.gz RRFZAKZRKIIZNU-WZRBSPASSA-N -1 3 319.365 0.117 20 30 DCEDHM C#CCN1CC[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](C)C1 ZINC000943467460 666289558 /nfs/dbraw/zinc/28/95/58/666289558.db2.gz VXUGQRDZBTUANI-WCQYABFASA-N -1 3 313.361 0.096 20 30 DCEDHM C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1NC(=O)c1cn[n-]n1 ZINC001005019045 666643071 /nfs/dbraw/zinc/64/30/71/666643071.db2.gz GDTDMPMJVAEVMF-ZWNOBZJWSA-N -1 3 301.350 0.185 20 30 DCEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1C2CCC1CC2 ZINC000862866793 667088226 /nfs/dbraw/zinc/08/82/26/667088226.db2.gz PUOFBGKTMUWPKU-UHFFFAOYSA-N -1 3 319.386 0.879 20 30 DCEDHM C=C(Cl)C[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)OCC ZINC000867591872 667472632 /nfs/dbraw/zinc/47/26/32/667472632.db2.gz HUTUJCLRZAZDLO-SECBINFHSA-N -1 3 321.786 0.773 20 30 DCEDHM COC(=O)Cc1sccc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000868562205 667581246 /nfs/dbraw/zinc/58/12/46/667581246.db2.gz DPANLHHADABIDX-VIFPVBQESA-N -1 3 312.347 0.574 20 30 DCEDHM C=CC(=O)Nc1cccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c1 ZINC000868562206 667581370 /nfs/dbraw/zinc/58/13/70/667581370.db2.gz DPIRJJRBTIDPCJ-GFCCVEGCSA-N -1 3 303.318 0.921 20 30 DCEDHM C=C(C)CS(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(=O)OCC ZINC000885771237 667700647 /nfs/dbraw/zinc/70/06/47/667700647.db2.gz FCUHRFKRUQAISA-NEPJUHHUSA-N -1 3 305.396 0.983 20 30 DCEDHM C=C[C@H](OC(=O)[C@@H]([N-]S(C)(=O)=O)C(C)(C)C)C(=O)OCC ZINC000842979487 667747115 /nfs/dbraw/zinc/74/71/15/667747115.db2.gz NVPCYBXBAJERCF-VHSXEESVSA-N -1 3 321.395 0.611 20 30 DCEDHM C#CCNC(=O)CO[N-]C(=O)Cc1ccc(OC)c(OC)c1 ZINC000747836157 667913556 /nfs/dbraw/zinc/91/35/56/667913556.db2.gz SHVYHPZMAOGINJ-UHFFFAOYSA-N -1 3 306.318 0.044 20 30 DCEDHM COc1cc(C(=O)OCC(=O)NCCC#N)cc(OC)c1[O-] ZINC000754266566 668043733 /nfs/dbraw/zinc/04/37/33/668043733.db2.gz FKMRIJAHYLZWEG-UHFFFAOYSA-N -1 3 308.290 0.596 20 30 DCEDHM C#CCNC(=O)[C@@H](C)OC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000754267156 668043759 /nfs/dbraw/zinc/04/37/59/668043759.db2.gz KTEWXRMJVNSUGD-SECBINFHSA-N -1 3 307.302 0.704 20 30 DCEDHM C#C[C@H](C)NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000775381635 668861697 /nfs/dbraw/zinc/86/16/97/668861697.db2.gz NVSHJFRACIEJCA-QWRGUYRKSA-N -1 3 319.386 0.642 20 30 DCEDHM C#C[C@@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)[C@@H]1CCCO1 ZINC000776229216 668873512 /nfs/dbraw/zinc/87/35/12/668873512.db2.gz DVRZAILRIQPIDN-SFYZADRCSA-N -1 3 317.271 0.804 20 30 DCEDHM COC(=O)CNC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000776275979 668874682 /nfs/dbraw/zinc/87/46/82/668874682.db2.gz WAKCKAYOWKROPD-QMMMGPOBSA-N -1 3 306.274 0.098 20 30 DCEDHM Cc1nc(C)c(CC(=O)N2C[C@@H](C)N(CC#N)[C@@H](C)C2)c(=O)[n-]1 ZINC000880460065 669213461 /nfs/dbraw/zinc/21/34/61/669213461.db2.gz OVFACQDOEFGMIN-PHIMTYICSA-N -1 3 317.393 0.786 20 30 DCEDHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C#N)COC)c(C)o1 ZINC000785364073 669250773 /nfs/dbraw/zinc/25/07/73/669250773.db2.gz UCHRWBNKNWRYJF-MRVPVSSYSA-N -1 3 302.308 0.192 20 30 DCEDHM C#CC[C@@H](CO)[N-]S(=O)(=O)c1cccc(Br)n1 ZINC000882341151 669504922 /nfs/dbraw/zinc/50/49/22/669504922.db2.gz SVHUSJINOYHDAX-QMMMGPOBSA-N -1 3 319.180 0.507 20 30 DCEDHM CNC(=O)CNC(=S)NN=Cc1c(F)ccc([O-])c1F ZINC000794510462 669844633 /nfs/dbraw/zinc/84/46/33/669844633.db2.gz 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C=CCOCCOC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588683499 1166578191 /nfs/dbraw/zinc/57/81/91/1166578191.db2.gz WEUCVCQGBTVVKR-GFCCVEGCSA-N -1 3 304.306 0.646 20 30 DCEDHM C=CCSCCNC(=O)NCc1ccc(-c2nnn[n-]2)cn1 ZINC001588688591 1166582287 /nfs/dbraw/zinc/58/22/87/1166582287.db2.gz LAMDYILDYXMNHF-UHFFFAOYSA-N -1 3 319.394 0.980 20 30 DCEDHM C=CCSCCNC(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001588688591 1166582292 /nfs/dbraw/zinc/58/22/92/1166582292.db2.gz LAMDYILDYXMNHF-UHFFFAOYSA-N -1 3 319.394 0.980 20 30 DCEDHM CC#CC[C@@H](CO)Nc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001588738346 1166583999 /nfs/dbraw/zinc/58/39/99/1166583999.db2.gz NJWBFIDPYOXQRB-NSHDSACASA-N -1 3 309.333 0.996 20 30 DCEDHM CC#CC[C@@H](CO)Nc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001588738346 1166584010 /nfs/dbraw/zinc/58/40/10/1166584010.db2.gz NJWBFIDPYOXQRB-NSHDSACASA-N -1 3 309.333 0.996 20 30 DCEDHM C[C@H](C#N)N(C1CC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588934578 1166619694 /nfs/dbraw/zinc/61/96/94/1166619694.db2.gz PTOQNCVNAOEAFW-SECBINFHSA-N -1 3 318.362 0.932 20 30 DCEDHM C[C@H](C#N)N(C1CC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588934578 1166619699 /nfs/dbraw/zinc/61/96/99/1166619699.db2.gz PTOQNCVNAOEAFW-SECBINFHSA-N -1 3 318.362 0.932 20 30 DCEDHM CC(C)(C(=O)N[C@H](C#N)CO)c1ccc(-c2nnn[n-]2)cc1 ZINC001589044774 1166633255 /nfs/dbraw/zinc/63/32/55/1166633255.db2.gz XNVFRDDZMGVPPM-LLVKDONJSA-N -1 3 300.322 0.145 20 30 DCEDHM CC(C)(C(=O)N[C@H](C#N)CO)c1ccc(-c2nn[n-]n2)cc1 ZINC001589044774 1166633262 /nfs/dbraw/zinc/63/32/62/1166633262.db2.gz XNVFRDDZMGVPPM-LLVKDONJSA-N -1 3 300.322 0.145 20 30 DCEDHM CC(C)(C)[C@H](CNCC#N)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001589089768 1166633537 /nfs/dbraw/zinc/63/35/37/1166633537.db2.gz IAGCGXLXBNMHPF-NSHDSACASA-N -1 3 316.369 0.452 20 30 DCEDHM CC(C)(C)[C@H](CNCC#N)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001589089768 1166633543 /nfs/dbraw/zinc/63/35/43/1166633543.db2.gz IAGCGXLXBNMHPF-NSHDSACASA-N -1 3 316.369 0.452 20 30 DCEDHM C[C@H](CC#N)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001589787624 1166688621 /nfs/dbraw/zinc/68/86/21/1166688621.db2.gz MVAYZVUDAYVJBT-MFKMUULPSA-N -1 3 311.349 0.864 20 30 DCEDHM C[C@H](CC#N)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001589787624 1166688624 /nfs/dbraw/zinc/68/86/24/1166688624.db2.gz MVAYZVUDAYVJBT-MFKMUULPSA-N -1 3 311.349 0.864 20 30 DCEDHM C[C@@H](CC#N)NC[C@@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001589786817 1166688950 /nfs/dbraw/zinc/68/89/50/1166688950.db2.gz DTXGWJJMGISMMQ-WDEREUQCSA-N -1 3 302.338 0.498 20 30 DCEDHM C[C@@H](CC#N)NC[C@@H](O)COc1ccccc1-c1nn[n-]n1 ZINC001589786817 1166688960 /nfs/dbraw/zinc/68/89/60/1166688960.db2.gz DTXGWJJMGISMMQ-WDEREUQCSA-N -1 3 302.338 0.498 20 30 DCEDHM C[C@H](CO)COC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589883055 1166704945 /nfs/dbraw/zinc/70/49/45/1166704945.db2.gz WLTXDVHRHIFCID-MFKMUULPSA-N -1 3 315.333 0.721 20 30 DCEDHM C[C@H](CO)COC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589883055 1166704952 /nfs/dbraw/zinc/70/49/52/1166704952.db2.gz WLTXDVHRHIFCID-MFKMUULPSA-N -1 3 315.333 0.721 20 30 DCEDHM C[C@H](NCC#N)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001589959447 1166730253 /nfs/dbraw/zinc/73/02/53/1166730253.db2.gz ZCPSOSPUBAYSHF-VHSXEESVSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@H](NCC#N)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001589959447 1166730255 /nfs/dbraw/zinc/73/02/55/1166730255.db2.gz ZCPSOSPUBAYSHF-VHSXEESVSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@]1(C#N)CCN(C(=O)NCc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001590054968 1166760244 /nfs/dbraw/zinc/76/02/44/1166760244.db2.gz OKNSSRHEOYEXGQ-CQSZACIVSA-N -1 3 312.337 0.707 20 30 DCEDHM C[C@]1(C#N)CCN(C(=O)NCc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001590054968 1166760248 /nfs/dbraw/zinc/76/02/48/1166760248.db2.gz OKNSSRHEOYEXGQ-CQSZACIVSA-N -1 3 312.337 0.707 20 30 DCEDHM C[C@@H]1C(=O)N(N=Cc2csc(-c3nnn[n-]3)c2)C(=O)N1C ZINC001590164976 1166795516 /nfs/dbraw/zinc/79/55/16/1166795516.db2.gz JEGHIKGXQWPUSI-ZCFIWIBFSA-N -1 3 305.323 0.545 20 30 DCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H](C)N1CC#N ZINC001590293688 1166843548 /nfs/dbraw/zinc/84/35/48/1166843548.db2.gz IRUIPCQZJBDEDX-NXEZZACHSA-N -1 3 314.353 0.253 20 30 DCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H](C)N1CC#N ZINC001590293688 1166843552 /nfs/dbraw/zinc/84/35/52/1166843552.db2.gz IRUIPCQZJBDEDX-NXEZZACHSA-N -1 3 314.353 0.253 20 30 DCEDHM C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1CNCC#N ZINC001590296141 1166844362 /nfs/dbraw/zinc/84/43/62/1166844362.db2.gz ZIWZPENJQICLKP-GXSJLCMTSA-N -1 3 314.353 0.016 20 30 DCEDHM C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H]1CNCC#N ZINC001590296141 1166844364 /nfs/dbraw/zinc/84/43/64/1166844364.db2.gz ZIWZPENJQICLKP-GXSJLCMTSA-N -1 3 314.353 0.016 20 30 DCEDHM CCN(CCC#N)S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001590691727 1166975954 /nfs/dbraw/zinc/97/59/54/1166975954.db2.gz DILFATWGLPGHCS-UHFFFAOYSA-N -1 3 321.366 0.494 20 30 DCEDHM CCN(CCC#N)S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001590691727 1166975960 /nfs/dbraw/zinc/97/59/60/1166975960.db2.gz DILFATWGLPGHCS-UHFFFAOYSA-N -1 3 321.366 0.494 20 30 DCEDHM CCS(=O)(=O)NCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590847177 1167035915 /nfs/dbraw/zinc/03/59/15/1167035915.db2.gz IOSSSPYPSFXGSE-UHFFFAOYSA-N -1 3 321.366 0.090 20 30 DCEDHM CCS(=O)(=O)NCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590847177 1167035919 /nfs/dbraw/zinc/03/59/19/1167035919.db2.gz IOSSSPYPSFXGSE-UHFFFAOYSA-N -1 3 321.366 0.090 20 30 DCEDHM CN(C)C[C@](C)(C#N)NC(=O)c1sccc1-c1nnn[n-]1 ZINC001591012373 1167079328 /nfs/dbraw/zinc/07/93/28/1167079328.db2.gz PNGBWOCBAQZESU-LBPRGKRZSA-N -1 3 305.367 0.502 20 30 DCEDHM CN(C)C[C@](C)(C#N)NC(=O)c1sccc1-c1nn[n-]n1 ZINC001591012373 1167079337 /nfs/dbraw/zinc/07/93/37/1167079337.db2.gz PNGBWOCBAQZESU-LBPRGKRZSA-N -1 3 305.367 0.502 20 30 DCEDHM COC(=O)CCN(CC#N)Cc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001591265314 1167187690 /nfs/dbraw/zinc/18/76/90/1167187690.db2.gz VAXZHRALQAMOPI-UHFFFAOYSA-N -1 3 318.312 0.894 20 30 DCEDHM COC(=O)CCN(CC#N)Cc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001591265314 1167187695 /nfs/dbraw/zinc/18/76/95/1167187695.db2.gz VAXZHRALQAMOPI-UHFFFAOYSA-N -1 3 318.312 0.894 20 30 DCEDHM CON=CC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001591467787 1167298253 /nfs/dbraw/zinc/29/82/53/1167298253.db2.gz VFYBNEFBPSIHFL-UHFFFAOYSA-N -1 3 315.337 0.148 20 30 DCEDHM COc1ncc(NC(=O)NCCCC#N)cc1-c1nnn[n-]1 ZINC001591665775 1167345473 /nfs/dbraw/zinc/34/54/73/1167345473.db2.gz NVKRWEGDXPKCEC-UHFFFAOYSA-N -1 3 302.298 0.696 20 30 DCEDHM CSC[C@](C)(C#N)NC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001591692180 1167356592 /nfs/dbraw/zinc/35/65/92/1167356592.db2.gz ZUDWPBLAGMQIFG-LBPRGKRZSA-N -1 3 303.351 0.637 20 30 DCEDHM CSC[C@](C)(C#N)NC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001591692180 1167356587 /nfs/dbraw/zinc/35/65/87/1167356587.db2.gz ZUDWPBLAGMQIFG-LBPRGKRZSA-N -1 3 303.351 0.637 20 30 DCEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N1CCO[C@](C)(C#N)C1 ZINC001591879051 1167406489 /nfs/dbraw/zinc/40/64/89/1167406489.db2.gz ZPFMYIZRMJYYLU-CQSZACIVSA-N -1 3 313.321 0.325 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N1CCO[C@](C)(C#N)C1 ZINC001591879051 1167406496 /nfs/dbraw/zinc/40/64/96/1167406496.db2.gz ZPFMYIZRMJYYLU-CQSZACIVSA-N -1 3 313.321 0.325 20 30 DCEDHM Cc1cc(N2CCO[C@H](C#N)C2)c(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592007248 1167431930 /nfs/dbraw/zinc/43/19/30/1167431930.db2.gz KTYVZBDNJPFIOZ-SECBINFHSA-N -1 3 315.293 0.812 20 30 DCEDHM Cc1cc(N2CCO[C@H](C#N)C2)c(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592007248 1167431931 /nfs/dbraw/zinc/43/19/31/1167431931.db2.gz KTYVZBDNJPFIOZ-SECBINFHSA-N -1 3 315.293 0.812 20 30 DCEDHM Cc1ccc(S(=O)(=O)N[C@H](C)CC#N)c(-c2nnn[n-]2)c1 ZINC001592190570 1167473082 /nfs/dbraw/zinc/47/30/82/1167473082.db2.gz UEMOSZMHAXUKMO-SECBINFHSA-N -1 3 306.351 0.756 20 30 DCEDHM Cc1ccc(S(=O)(=O)N[C@H](C)CC#N)c(-c2nn[n-]n2)c1 ZINC001592190570 1167473087 /nfs/dbraw/zinc/47/30/87/1167473087.db2.gz UEMOSZMHAXUKMO-SECBINFHSA-N -1 3 306.351 0.756 20 30 DCEDHM Cn1ccc(=O)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC001592578210 1167569262 /nfs/dbraw/zinc/56/92/62/1167569262.db2.gz HVEVJTATVHGMCM-UHFFFAOYSA-N -1 3 321.300 0.689 20 30 DCEDHM Cn1ccc(=O)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC001592578210 1167569265 /nfs/dbraw/zinc/56/92/65/1167569265.db2.gz HVEVJTATVHGMCM-UHFFFAOYSA-N -1 3 321.300 0.689 20 30 DCEDHM Cn1nnnc1CCCNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001592612966 1167584612 /nfs/dbraw/zinc/58/46/12/1167584612.db2.gz HFHZPJNNROMDHW-UHFFFAOYSA-N -1 3 310.325 0.307 20 30 DCEDHM Cn1nnnc1CCCNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001592612966 1167584616 /nfs/dbraw/zinc/58/46/16/1167584616.db2.gz HFHZPJNNROMDHW-UHFFFAOYSA-N -1 3 310.325 0.307 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCC(=O)C1CC1 ZINC001592665118 1167591662 /nfs/dbraw/zinc/59/16/62/1167591662.db2.gz CVBHQCPQIXWAIL-ZDUSSCGKSA-N -1 3 324.344 0.644 20 30 DCEDHM N#CC1(CNC[C@@H](O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC001592669311 1167592869 /nfs/dbraw/zinc/59/28/69/1167592869.db2.gz GJHIRAZEUSVSBD-LLVKDONJSA-N -1 3 314.349 0.500 20 30 DCEDHM N#C[C@]1(F)CCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592670712 1167594675 /nfs/dbraw/zinc/59/46/75/1167594675.db2.gz LSKSXSFMMXCMLA-BXUZGUMPSA-N -1 3 315.312 0.331 20 30 DCEDHM N#C[C@]1(F)CCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592670712 1167594680 /nfs/dbraw/zinc/59/46/80/1167594680.db2.gz LSKSXSFMMXCMLA-BXUZGUMPSA-N -1 3 315.312 0.331 20 30 DCEDHM N#CC1(CS(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592670737 1167594893 /nfs/dbraw/zinc/59/48/93/1167594893.db2.gz MTVMYAOBQXGRGG-UHFFFAOYSA-N -1 3 318.362 0.590 20 30 DCEDHM N#CC1(CS(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592670737 1167594897 /nfs/dbraw/zinc/59/48/97/1167594897.db2.gz MTVMYAOBQXGRGG-UHFFFAOYSA-N -1 3 318.362 0.590 20 30 DCEDHM N#CCCc1cn(CCOc2ccccc2-c2nnn[n-]2)nn1 ZINC001592677198 1167595809 /nfs/dbraw/zinc/59/58/09/1167595809.db2.gz FKUMNEFLDHTTIL-UHFFFAOYSA-N -1 3 310.321 0.993 20 30 DCEDHM N#CCCc1cn(CCOc2ccccc2-c2nn[n-]n2)nn1 ZINC001592677198 1167595815 /nfs/dbraw/zinc/59/58/15/1167595815.db2.gz FKUMNEFLDHTTIL-UHFFFAOYSA-N -1 3 310.321 0.993 20 30 DCEDHM N#CCC[C@H](C#N)CNCCNc1ncccc1-c1nnn[n-]1 ZINC001592674327 1167596379 /nfs/dbraw/zinc/59/63/79/1167596379.db2.gz BGKNAPSHFVIZLX-LLVKDONJSA-N -1 3 311.353 0.707 20 30 DCEDHM N#CCC[C@H](C#N)CNCCNc1ncccc1-c1nn[n-]n1 ZINC001592674327 1167596384 /nfs/dbraw/zinc/59/63/84/1167596384.db2.gz BGKNAPSHFVIZLX-LLVKDONJSA-N -1 3 311.353 0.707 20 30 DCEDHM N#CCCc1cn(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)nn1 ZINC001592677281 1167596745 /nfs/dbraw/zinc/59/67/45/1167596745.db2.gz IAXSUSMSCCSDEG-CYBMUJFWSA-N -1 3 310.321 0.648 20 30 DCEDHM N#CCCc1cn(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)nn1 ZINC001592677281 1167596750 /nfs/dbraw/zinc/59/67/50/1167596750.db2.gz IAXSUSMSCCSDEG-CYBMUJFWSA-N -1 3 310.321 0.648 20 30 DCEDHM N#CCC1(O)CN(CCOc2ccccc2-c2nnn[n-]2)C1 ZINC001592673846 1167597595 /nfs/dbraw/zinc/59/75/95/1167597595.db2.gz QGGJPMHSAQONPQ-UHFFFAOYSA-N -1 3 300.322 0.206 20 30 DCEDHM N#CCC1(O)CN(CCOc2ccccc2-c2nn[n-]n2)C1 ZINC001592673846 1167597600 /nfs/dbraw/zinc/59/76/00/1167597600.db2.gz QGGJPMHSAQONPQ-UHFFFAOYSA-N -1 3 300.322 0.206 20 30 DCEDHM N#CCNC[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001592678713 1167599293 /nfs/dbraw/zinc/59/92/93/1167599293.db2.gz LVQJQSRUWFLYKA-ONGXEEELSA-N -1 3 314.353 0.206 20 30 DCEDHM N#CCNC[C@H]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001592678713 1167599297 /nfs/dbraw/zinc/59/92/97/1167599297.db2.gz LVQJQSRUWFLYKA-ONGXEEELSA-N -1 3 314.353 0.206 20 30 DCEDHM N#Cc1nc(N)n(Cc2nnc(C3CC3)s2)c1-c1nnn[n-]1 ZINC001592704512 1167604134 /nfs/dbraw/zinc/60/41/34/1167604134.db2.gz HKOTXZFELGCDPK-UHFFFAOYSA-N -1 3 314.338 0.294 20 30 DCEDHM N#Cc1nc(N)n(Cc2nnc(C3CC3)s2)c1-c1nn[n-]n1 ZINC001592704512 1167604138 /nfs/dbraw/zinc/60/41/38/1167604138.db2.gz HKOTXZFELGCDPK-UHFFFAOYSA-N -1 3 314.338 0.294 20 30 DCEDHM O=S1(=O)CCCC(N=Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001593464345 1167853230 /nfs/dbraw/zinc/85/32/30/1167853230.db2.gz QGSPQTHIYXIKBY-UHFFFAOYSA-N -1 3 307.339 0.238 20 30 DCEDHM Cn1c(CNCCNC(=O)C2N=CC=CC2=O)ccc1C(=O)[O-] ZINC001600915638 1168507050 /nfs/dbraw/zinc/50/70/50/1168507050.db2.gz DZAOFFXHRFECAB-BUHFOSPRSA-N -1 3 318.333 0.339 20 30 DCEDHM N#Cc1ccc(OC[C@@H](O)CN2CCC(O)(C(=O)[O-])CC2)cc1 ZINC001601109979 1168586242 /nfs/dbraw/zinc/58/62/42/1168586242.db2.gz FOQCYHKQWQOPCH-ZDUSSCGKSA-N -1 3 320.345 0.209 20 30 DCEDHM C#C[C@@H](NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1)C(C)(C)C ZINC001602690813 1169159898 /nfs/dbraw/zinc/15/98/98/1169159898.db2.gz IOWVGJPJQMMVRL-LLVKDONJSA-N -1 3 320.378 0.588 20 30 DCEDHM C#C[C@@H](NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1)C(C)(C)C ZINC001602690813 1169159902 /nfs/dbraw/zinc/15/99/02/1169159902.db2.gz IOWVGJPJQMMVRL-LLVKDONJSA-N -1 3 320.378 0.588 20 30 DCEDHM C#CC1(F)CN(C(=O)NCc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001602690799 1169161277 /nfs/dbraw/zinc/16/12/77/1169161277.db2.gz IEPBKHZFADSIHH-UHFFFAOYSA-N -1 3 318.287 0.873 20 30 DCEDHM C#CC1(F)CN(C(=O)NCc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001602690799 1169161280 /nfs/dbraw/zinc/16/12/80/1169161280.db2.gz IEPBKHZFADSIHH-UHFFFAOYSA-N -1 3 318.287 0.873 20 30 DCEDHM C#CCC[C@H](O)CNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001602703265 1169165776 /nfs/dbraw/zinc/16/57/76/1169165776.db2.gz MKASGFHEANGCEN-LBPRGKRZSA-N -1 3 300.322 0.763 20 30 DCEDHM C#CCC[C@H](O)CNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001602703265 1169165789 /nfs/dbraw/zinc/16/57/89/1169165789.db2.gz MKASGFHEANGCEN-LBPRGKRZSA-N -1 3 300.322 0.763 20 30 DCEDHM C#CCN(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1Cl ZINC001602716623 1169168843 /nfs/dbraw/zinc/16/88/43/1169168843.db2.gz JMUFKZCPWRYUFF-UHFFFAOYSA-N -1 3 311.754 0.774 20 30 DCEDHM C#CCN(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1Cl ZINC001602716623 1169168852 /nfs/dbraw/zinc/16/88/52/1169168852.db2.gz JMUFKZCPWRYUFF-UHFFFAOYSA-N -1 3 311.754 0.774 20 30 DCEDHM C#CCOCCNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC001602729511 1169174178 /nfs/dbraw/zinc/17/41/78/1169174178.db2.gz VITDUPXXJGOBTN-UHFFFAOYSA-N -1 3 300.322 0.946 20 30 DCEDHM C#CCOCCNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC001602729511 1169174188 /nfs/dbraw/zinc/17/41/88/1169174188.db2.gz VITDUPXXJGOBTN-UHFFFAOYSA-N -1 3 300.322 0.946 20 30 DCEDHM C#CCO[C@@H](C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001602727768 1169174999 /nfs/dbraw/zinc/17/49/99/1169174999.db2.gz RPDHABXBBJBKDV-NSHDSACASA-N -1 3 315.333 0.400 20 30 DCEDHM C#CCOCCC(=O)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC001602726321 1169175172 /nfs/dbraw/zinc/17/51/72/1169175172.db2.gz DPKXNAXQAYQQEK-UHFFFAOYSA-N -1 3 305.363 0.927 20 30 DCEDHM C#CCOCCC(=O)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC001602726321 1169175174 /nfs/dbraw/zinc/17/51/74/1169175174.db2.gz DPKXNAXQAYQQEK-UHFFFAOYSA-N -1 3 305.363 0.927 20 30 DCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(-c2nnn[n-]2)ccn1 ZINC001602756803 1169179755 /nfs/dbraw/zinc/17/97/55/1169179755.db2.gz XZKQXBGQFWEZMW-NSHDSACASA-N -1 3 315.337 0.671 20 30 DCEDHM C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(-c2nn[n-]n2)ccn1 ZINC001602756803 1169179759 /nfs/dbraw/zinc/17/97/59/1169179759.db2.gz 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CC(C)[C@H](C#N)N1CCN(c2nnccc2-c2nnn[n-]2)CC1 ZINC001603200496 1169274054 /nfs/dbraw/zinc/27/40/54/1169274054.db2.gz CTDJSHPGBJDSQR-LBPRGKRZSA-N -1 3 313.369 0.327 20 30 DCEDHM CC(C)[C@H](C#N)N1CCN(c2nnccc2-c2nn[n-]n2)CC1 ZINC001603200496 1169274064 /nfs/dbraw/zinc/27/40/64/1169274064.db2.gz CTDJSHPGBJDSQR-LBPRGKRZSA-N -1 3 313.369 0.327 20 30 DCEDHM C[C@H](CC#N)N(C)C[C@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001603443532 1169305944 /nfs/dbraw/zinc/30/59/44/1169305944.db2.gz UWBONCCFSMYSOV-NEPJUHHUSA-N -1 3 316.365 0.840 20 30 DCEDHM C[C@H](CC#N)N(C)C[C@H](O)COc1ccccc1-c1nn[n-]n1 ZINC001603443532 1169305948 /nfs/dbraw/zinc/30/59/48/1169305948.db2.gz UWBONCCFSMYSOV-NEPJUHHUSA-N -1 3 316.365 0.840 20 30 DCEDHM CCc1ccc(C#CC(=O)n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC001604518191 1169609025 /nfs/dbraw/zinc/60/90/25/1169609025.db2.gz GGFKYUIBGOGXJI-UHFFFAOYSA-N -1 3 307.317 0.900 20 30 DCEDHM CN(C)C(=O)[C@H]1CCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001604665418 1169644805 /nfs/dbraw/zinc/64/48/05/1169644805.db2.gz CEOOHRGOAWNYDD-NSHDSACASA-N -1 3 311.349 0.653 20 30 DCEDHM CN(C)C(=O)[C@H]1CCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001604665418 1169644808 /nfs/dbraw/zinc/64/48/08/1169644808.db2.gz CEOOHRGOAWNYDD-NSHDSACASA-N -1 3 311.349 0.653 20 30 DCEDHM COC(=O)C1(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)CC1 ZINC001604916171 1169744447 /nfs/dbraw/zinc/74/44/47/1169744447.db2.gz KZRWCDHVQILZOY-UHFFFAOYSA-N -1 3 312.289 0.630 20 30 DCEDHM COC(=O)C1(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)CC1 ZINC001604916171 1169744451 /nfs/dbraw/zinc/74/44/51/1169744451.db2.gz KZRWCDHVQILZOY-UHFFFAOYSA-N -1 3 312.289 0.630 20 30 DCEDHM Cc1ccc(C(=O)NCCn2cnc(C#N)n2)cc1-c1nnn[n-]1 ZINC001605820162 1170008935 /nfs/dbraw/zinc/00/89/35/1170008935.db2.gz KCICKHDXHWLWNS-UHFFFAOYSA-N -1 3 323.320 0.068 20 30 DCEDHM Cc1ccc(C(=O)NCCn2cnc(C#N)n2)cc1-c1nn[n-]n1 ZINC001605820162 1170008942 /nfs/dbraw/zinc/00/89/42/1170008942.db2.gz KCICKHDXHWLWNS-UHFFFAOYSA-N -1 3 323.320 0.068 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)N(C)CC1CC1 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316.281 0.025 20 30 DCEDHM N#CCC1(O)CN(C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)C1 ZINC001606345718 1170165391 /nfs/dbraw/zinc/16/53/91/1170165391.db2.gz HSIIMTZRYHYHKX-UHFFFAOYSA-N -1 3 324.344 0.385 20 30 DCEDHM N#CCC1(O)CN(C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)C1 ZINC001606345718 1170165395 /nfs/dbraw/zinc/16/53/95/1170165395.db2.gz HSIIMTZRYHYHKX-UHFFFAOYSA-N -1 3 324.344 0.385 20 30 DCEDHM N#C[C@@H]1CCCN(S(=O)(=O)c2cncc(-c3nnn[n-]3)c2)C1 ZINC001606345149 1170165748 /nfs/dbraw/zinc/16/57/48/1170165748.db2.gz DZEDRVCMNMVKTB-VIFPVBQESA-N -1 3 319.350 0.186 20 30 DCEDHM N#C[C@@H]1CCCN(S(=O)(=O)c2cncc(-c3nn[n-]n3)c2)C1 ZINC001606345149 1170165750 /nfs/dbraw/zinc/16/57/50/1170165750.db2.gz DZEDRVCMNMVKTB-VIFPVBQESA-N -1 3 319.350 0.186 20 30 DCEDHM N#Cc1nc(N2CCN(CCCF)CC2)cnc1-c1nnn[n-]1 ZINC001606389486 1170179885 /nfs/dbraw/zinc/17/98/85/1170179885.db2.gz OITDBSJKGHDGEM-UHFFFAOYSA-N -1 3 317.332 0.010 20 30 DCEDHM N#Cc1nc(N2CCN(CCCF)CC2)cnc1-c1nn[n-]n1 ZINC001606389486 1170179886 /nfs/dbraw/zinc/17/98/86/1170179886.db2.gz OITDBSJKGHDGEM-UHFFFAOYSA-N -1 3 317.332 0.010 20 30 DCEDHM N#Cc1ncn(Cc2c(-c3nnn[n-]3)cccc2[N+](=O)[O-])c1C#N ZINC001606398614 1170185005 /nfs/dbraw/zinc/18/50/05/1170185005.db2.gz NYJIEMVYALJEBR-UHFFFAOYSA-N -1 3 321.260 0.763 20 30 DCEDHM N#Cc1ncn(Cc2c(-c3nn[n-]n3)cccc2[N+](=O)[O-])c1C#N ZINC001606398614 1170185010 /nfs/dbraw/zinc/18/50/10/1170185010.db2.gz NYJIEMVYALJEBR-UHFFFAOYSA-N -1 3 321.260 0.763 20 30 DCEDHM N#Cc1nccc(N2CC(Nc3cccc(-c4nnn[n-]4)c3)C2)n1 ZINC001606398331 1170185677 /nfs/dbraw/zinc/18/56/77/1170185677.db2.gz WYBMUHTUOAQAAQ-UHFFFAOYSA-N -1 3 319.332 0.829 20 30 DCEDHM N#Cc1nccc(N2CC(Nc3cccc(-c4nn[n-]n4)c3)C2)n1 ZINC001606398331 1170185682 /nfs/dbraw/zinc/18/56/82/1170185682.db2.gz WYBMUHTUOAQAAQ-UHFFFAOYSA-N -1 3 319.332 0.829 20 30 DCEDHM C#C[C@H](C)N(C)S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001609019297 1170785434 /nfs/dbraw/zinc/78/54/34/1170785434.db2.gz QPVCILBBHQSLCB-VIFPVBQESA-N -1 3 323.353 0.789 20 30 DCEDHM C#C[C@H](C)N(C)S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001609019297 1170785438 /nfs/dbraw/zinc/78/54/38/1170785438.db2.gz QPVCILBBHQSLCB-VIFPVBQESA-N -1 3 323.353 0.789 20 30 DCEDHM C#CCCNS(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001609020413 1170786222 /nfs/dbraw/zinc/78/62/22/1170786222.db2.gz CJMAYBNPWAPFNT-UHFFFAOYSA-N -1 3 309.326 0.449 20 30 DCEDHM C#C[C@H](NS(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC001609020315 1170785958 /nfs/dbraw/zinc/78/59/58/1170785958.db2.gz YHPJQNFBBCDGSF-ZDUSSCGKSA-N -1 3 319.390 0.944 20 30 DCEDHM C#C[C@H](NS(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC001609020315 1170785965 /nfs/dbraw/zinc/78/59/65/1170785965.db2.gz YHPJQNFBBCDGSF-ZDUSSCGKSA-N -1 3 319.390 0.944 20 30 DCEDHM C#CCCNS(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001609020413 1170786220 /nfs/dbraw/zinc/78/62/20/1170786220.db2.gz CJMAYBNPWAPFNT-UHFFFAOYSA-N -1 3 309.326 0.449 20 30 DCEDHM C=C[C@@H](COC)NC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001609052460 1170793240 /nfs/dbraw/zinc/79/32/40/1170793240.db2.gz 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RXUYYUGDXXASOA-UHFFFAOYSA-N -1 3 302.363 0.319 20 30 DCEDHM C#CCOCCN(C)C(=O)c1ncc(-c2nnn[n-]2)cc1Cl ZINC001588362659 1166546116 /nfs/dbraw/zinc/54/61/16/1166546116.db2.gz OKXCUVFSCCVARO-UHFFFAOYSA-N -1 3 320.740 0.637 20 30 DCEDHM C#CCOCCN(C)C(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588362659 1166546118 /nfs/dbraw/zinc/54/61/18/1166546118.db2.gz OKXCUVFSCCVARO-UHFFFAOYSA-N -1 3 320.740 0.637 20 30 DCEDHM C#CCO[C@H](C)C(=O)Nc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC001588359958 1166546386 /nfs/dbraw/zinc/54/63/86/1166546386.db2.gz DBDXJPHFRYCQFG-SECBINFHSA-N -1 3 301.306 0.852 20 30 DCEDHM C#CCO[C@H](C)C(=O)Nc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC001588359958 1166546391 /nfs/dbraw/zinc/54/63/91/1166546391.db2.gz DBDXJPHFRYCQFG-SECBINFHSA-N -1 3 301.306 0.852 20 30 DCEDHM C#CCO[C@H](C)C(=O)OCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001588360954 1166547849 /nfs/dbraw/zinc/54/78/49/1166547849.db2.gz ZBRIKDPEXNDXBX-SNVBAGLBSA-N -1 3 314.301 0.631 20 30 DCEDHM C#CCO[C@H](C)C(=O)OCC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001588360954 1166547856 /nfs/dbraw/zinc/54/78/56/1166547856.db2.gz ZBRIKDPEXNDXBX-SNVBAGLBSA-N -1 3 314.301 0.631 20 30 DCEDHM C#Cc1cncc(C(=O)NCc2cncc(-c3nnn[n-]3)c2)c1 ZINC001588380246 1166548939 /nfs/dbraw/zinc/54/89/39/1166548939.db2.gz YPGCZHSECFQZDN-UHFFFAOYSA-N -1 3 305.301 0.568 20 30 DCEDHM C#Cc1cncc(C(=O)NCc2cncc(-c3nn[n-]n3)c2)c1 ZINC001588380246 1166548943 /nfs/dbraw/zinc/54/89/43/1166548943.db2.gz YPGCZHSECFQZDN-UHFFFAOYSA-N -1 3 305.301 0.568 20 30 DCEDHM C=C(C)[C@H](CO)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001588401034 1166551016 /nfs/dbraw/zinc/55/10/16/1166551016.db2.gz LFMQJDYSRQDVPA-LBPRGKRZSA-N -1 3 320.422 0.987 20 30 DCEDHM C=C(C)[C@H](CO)N1CCN(c2ccsc2-c2nn[n-]n2)CC1 ZINC001588401034 1166551020 /nfs/dbraw/zinc/55/10/20/1166551020.db2.gz LFMQJDYSRQDVPA-LBPRGKRZSA-N -1 3 320.422 0.987 20 30 DCEDHM C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001588526239 1166560026 /nfs/dbraw/zinc/56/00/26/1166560026.db2.gz SYAIBDDXPUEVMZ-JTQLQIEISA-N -1 3 316.321 0.122 20 30 DCEDHM C=C[C@@H](COC)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001588526239 1166560031 /nfs/dbraw/zinc/56/00/31/1166560031.db2.gz SYAIBDDXPUEVMZ-JTQLQIEISA-N -1 3 316.321 0.122 20 30 DCEDHM C=CCC[C@@H](CO)NC(=O)COc1ccccc1-c1nnn[n-]1 ZINC001588577736 1166564124 /nfs/dbraw/zinc/56/41/24/1166564124.db2.gz MGNAMOKBRWKADM-NSHDSACASA-N -1 3 317.349 0.689 20 30 DCEDHM C=CCC[C@@H](CO)NC(=O)COc1ccccc1-c1nn[n-]n1 ZINC001588577736 1166564130 /nfs/dbraw/zinc/56/41/30/1166564130.db2.gz MGNAMOKBRWKADM-NSHDSACASA-N -1 3 317.349 0.689 20 30 DCEDHM C=CCCN(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588603795 1166568586 /nfs/dbraw/zinc/56/85/86/1166568586.db2.gz WCGZWMVFESTYNI-UHFFFAOYSA-N -1 3 314.349 0.631 20 30 DCEDHM C=CCCN(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588603795 1166568593 /nfs/dbraw/zinc/56/85/93/1166568593.db2.gz WCGZWMVFESTYNI-UHFFFAOYSA-N -1 3 314.349 0.631 20 30 DCEDHM C=CCN1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1=O ZINC001588655018 1166573286 /nfs/dbraw/zinc/57/32/86/1166573286.db2.gz UUDMGSDLPRQGCH-LLVKDONJSA-N -1 3 315.337 0.054 20 30 DCEDHM C=CCN1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1=O ZINC001588655018 1166573292 /nfs/dbraw/zinc/57/32/92/1166573292.db2.gz UUDMGSDLPRQGCH-LLVKDONJSA-N -1 3 315.337 0.054 20 30 DCEDHM C=CCNC(=O)CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001588658260 1166576098 /nfs/dbraw/zinc/57/60/98/1166576098.db2.gz FAJOQVDTPKFUCU-UHFFFAOYSA-N -1 3 316.350 0.110 20 30 DCEDHM C=CCNC(=O)CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001588658260 1166576102 /nfs/dbraw/zinc/57/61/02/1166576102.db2.gz FAJOQVDTPKFUCU-UHFFFAOYSA-N -1 3 316.350 0.110 20 30 DCEDHM C[C@H](C#N)CN(C)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588930797 1166618329 /nfs/dbraw/zinc/61/83/29/1166618329.db2.gz LDKDDMRYNOYXGR-SECBINFHSA-N -1 3 300.326 0.292 20 30 DCEDHM C[C@H](C#N)CN(C)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588930797 1166618336 /nfs/dbraw/zinc/61/83/36/1166618336.db2.gz LDKDDMRYNOYXGR-SECBINFHSA-N -1 3 300.326 0.292 20 30 DCEDHM C[C@@H](C#N)CNCCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588933801 1166618782 /nfs/dbraw/zinc/61/87/82/1166618782.db2.gz AGIJATQFBCIDFU-JTQLQIEISA-N -1 3 320.378 0.390 20 30 DCEDHM C[C@@H](C#N)CNCCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588933801 1166618789 /nfs/dbraw/zinc/61/87/89/1166618789.db2.gz AGIJATQFBCIDFU-JTQLQIEISA-N -1 3 320.378 0.390 20 30 DCEDHM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588928604 1166619318 /nfs/dbraw/zinc/61/93/18/1166619318.db2.gz PFLYOASOSDBXBZ-UWVGGRQHSA-N -1 3 312.337 0.116 20 30 DCEDHM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588928604 1166619320 /nfs/dbraw/zinc/61/93/20/1166619320.db2.gz PFLYOASOSDBXBZ-UWVGGRQHSA-N -1 3 312.337 0.116 20 30 DCEDHM CC(C)C#CC(=O)NC1CN(Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001589386855 1166654966 /nfs/dbraw/zinc/65/49/66/1166654966.db2.gz CJYZPHXCYGGTIA-UHFFFAOYSA-N -1 3 324.388 0.827 20 30 DCEDHM CC(C)C#CC(=O)NC1CN(Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001589386855 1166654969 /nfs/dbraw/zinc/65/49/69/1166654969.db2.gz CJYZPHXCYGGTIA-UHFFFAOYSA-N -1 3 324.388 0.827 20 30 DCEDHM CC[C@@H](C#N)N(C)S(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590368130 1166889782 /nfs/dbraw/zinc/88/97/82/1166889782.db2.gz XJWDSAJEEIOYSG-JTQLQIEISA-N -1 3 324.341 0.928 20 30 DCEDHM CC[C@@H](C#N)N(C)S(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590368130 1166889788 /nfs/dbraw/zinc/88/97/88/1166889788.db2.gz XJWDSAJEEIOYSG-JTQLQIEISA-N -1 3 324.341 0.928 20 30 DCEDHM CC[C@](C)(C#N)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC001590371939 1166892175 /nfs/dbraw/zinc/89/21/75/1166892175.db2.gz MHDBVLFXCQJMFW-CQSZACIVSA-N -1 3 314.353 0.730 20 30 DCEDHM CC[C@](C)(C#N)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC001590371939 1166892178 /nfs/dbraw/zinc/89/21/78/1166892178.db2.gz MHDBVLFXCQJMFW-CQSZACIVSA-N -1 3 314.353 0.730 20 30 DCEDHM CN(C(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CCN(CC#N)CC1 ZINC001590987705 1167067877 /nfs/dbraw/zinc/06/78/77/1167067877.db2.gz RDAJBYNNIQLLOS-UHFFFAOYSA-N -1 3 314.353 0.255 20 30 DCEDHM CN(C(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CCN(CC#N)CC1 ZINC001590987705 1167067884 /nfs/dbraw/zinc/06/78/84/1167067884.db2.gz RDAJBYNNIQLLOS-UHFFFAOYSA-N -1 3 314.353 0.255 20 30 DCEDHM COC(=O)[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001591255786 1167181014 /nfs/dbraw/zinc/18/10/14/1167181014.db2.gz VOFIKIKDBLQMBN-NSHDSACASA-N -1 3 314.305 0.117 20 30 DCEDHM COC(=O)[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001591255786 1167181015 /nfs/dbraw/zinc/18/10/15/1167181015.db2.gz VOFIKIKDBLQMBN-NSHDSACASA-N -1 3 314.305 0.117 20 30 DCEDHM COCCN(C)C(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591421241 1167278648 /nfs/dbraw/zinc/27/86/48/1167278648.db2.gz WTLOFVUSUOCLSV-CYBMUJFWSA-N -1 3 314.349 0.654 20 30 DCEDHM COc1cc(C=NN[C@@H]2CCC[C@H]2O)ccc1-c1nnn[n-]1 ZINC001591522183 1167321805 /nfs/dbraw/zinc/32/18/05/1167321805.db2.gz CFPAUMXCJBGDPH-VXGBXAGGSA-N -1 3 302.338 0.712 20 30 DCEDHM COc1cc(C=NN[C@@H]2CCC[C@H]2O)ccc1-c1nn[n-]n1 ZINC001591522183 1167321808 /nfs/dbraw/zinc/32/18/08/1167321808.db2.gz CFPAUMXCJBGDPH-VXGBXAGGSA-N -1 3 302.338 0.712 20 30 DCEDHM Cc1c(C(=O)NCCn2cnc(C#N)n2)cccc1-c1nnn[n-]1 ZINC001591808880 1167384842 /nfs/dbraw/zinc/38/48/42/1167384842.db2.gz PRYNGQYASXTJSA-UHFFFAOYSA-N -1 3 323.320 0.068 20 30 DCEDHM Cc1c(C(=O)NCCn2cnc(C#N)n2)cccc1-c1nn[n-]n1 ZINC001591808880 1167384845 /nfs/dbraw/zinc/38/48/45/1167384845.db2.gz PRYNGQYASXTJSA-UHFFFAOYSA-N -1 3 323.320 0.068 20 30 DCEDHM Cc1cccc(S(=O)(=O)N2CC(CC#N)C2)c1-c1nnn[n-]1 ZINC001592239488 1167477558 /nfs/dbraw/zinc/47/75/58/1167477558.db2.gz QTIGLZIJIUQDTH-UHFFFAOYSA-N -1 3 318.362 0.709 20 30 DCEDHM Cc1cccc(S(=O)(=O)N2CC(CC#N)C2)c1-c1nn[n-]n1 ZINC001592239488 1167477560 /nfs/dbraw/zinc/47/75/60/1167477560.db2.gz QTIGLZIJIUQDTH-UHFFFAOYSA-N -1 3 318.362 0.709 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1nccn1C(F)F ZINC001592339539 1167492819 /nfs/dbraw/zinc/49/28/19/1167492819.db2.gz BWYBRAGZOJPFPD-UHFFFAOYSA-N -1 3 305.252 0.883 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1nccn1C(F)F ZINC001592339539 1167492823 /nfs/dbraw/zinc/49/28/23/1167492823.db2.gz BWYBRAGZOJPFPD-UHFFFAOYSA-N -1 3 305.252 0.883 20 30 DCEDHM Cn1c(C(=O)N2CCSC[C@@H]2C#N)ccc1-c1nn[n-]n1 ZINC001592547755 1167552703 /nfs/dbraw/zinc/55/27/03/1167552703.db2.gz ITXCZJKAOJZUIC-QMMMGPOBSA-N -1 3 303.351 0.286 20 30 DCEDHM Cn1c(C(=O)N2CCSC[C@@H]2C#N)ccc1-c1nnn[n-]1 ZINC001592547755 1167552694 /nfs/dbraw/zinc/55/26/94/1167552694.db2.gz ITXCZJKAOJZUIC-QMMMGPOBSA-N -1 3 303.351 0.286 20 30 DCEDHM N#C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592672488 1167597316 /nfs/dbraw/zinc/59/73/16/1167597316.db2.gz KFDGIIGHHZDEFM-JTQLQIEISA-N -1 3 318.362 0.791 20 30 DCEDHM N#C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592672488 1167597322 /nfs/dbraw/zinc/59/73/22/1167597322.db2.gz KFDGIIGHHZDEFM-JTQLQIEISA-N -1 3 318.362 0.791 20 30 DCEDHM N#CCN1CCN(C(=O)Nc2cccc(-c3nnn[n-]3)c2)CC1 ZINC001592678512 1167598811 /nfs/dbraw/zinc/59/88/11/1167598811.db2.gz ZOAYGWJMQWMQDH-UHFFFAOYSA-N -1 3 312.337 0.540 20 30 DCEDHM N#CCN1CCN(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC001592678512 1167598815 /nfs/dbraw/zinc/59/88/15/1167598815.db2.gz ZOAYGWJMQWMQDH-UHFFFAOYSA-N -1 3 312.337 0.540 20 30 DCEDHM N#CCN1CCN(Cc2ccc(-c3nnn[n-]3)c(F)c2)CC1 ZINC001592678251 1167598864 /nfs/dbraw/zinc/59/88/64/1167598864.db2.gz SGINSEBSVMWBPF-UHFFFAOYSA-N -1 3 301.329 0.647 20 30 DCEDHM N#CCN1CCN(Cc2ccc(-c3nn[n-]n3)c(F)c2)CC1 ZINC001592678251 1167598870 /nfs/dbraw/zinc/59/88/70/1167598870.db2.gz SGINSEBSVMWBPF-UHFFFAOYSA-N -1 3 301.329 0.647 20 30 DCEDHM N#CCCNC(=O)COC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001592678127 1167599326 /nfs/dbraw/zinc/59/93/26/1167599326.db2.gz NOLZPLZNSLWTPV-UHFFFAOYSA-N -1 3 300.278 0.053 20 30 DCEDHM N#CCCNC(=O)COC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001592678127 1167599328 /nfs/dbraw/zinc/59/93/28/1167599328.db2.gz NOLZPLZNSLWTPV-UHFFFAOYSA-N -1 3 300.278 0.053 20 30 DCEDHM N#CCCNC(=O)COC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001592678215 1167599834 /nfs/dbraw/zinc/59/98/34/1167599834.db2.gz PTGRPFBDKPSAPV-UHFFFAOYSA-N -1 3 318.268 0.192 20 30 DCEDHM N#CCCNC(=O)COC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001592678215 1167599842 /nfs/dbraw/zinc/59/98/42/1167599842.db2.gz PTGRPFBDKPSAPV-UHFFFAOYSA-N -1 3 318.268 0.192 20 30 DCEDHM N#Cc1nc(N)n(Cc2ccc(C#N)cc2F)c1-c1nnn[n-]1 ZINC001592693493 1167602938 /nfs/dbraw/zinc/60/29/38/1167602938.db2.gz GWHBMLRRPAIZLH-UHFFFAOYSA-N -1 3 309.268 0.576 20 30 DCEDHM N#Cc1nc(N)n(Cc2ccc(C#N)cc2F)c1-c1nn[n-]n1 ZINC001592693493 1167602942 /nfs/dbraw/zinc/60/29/42/1167602942.db2.gz GWHBMLRRPAIZLH-UHFFFAOYSA-N -1 3 309.268 0.576 20 30 DCEDHM N#Cc1cc(NC(=O)c2cc3n(n2)CCO3)ccc1-c1nnn[n-]1 ZINC001592689197 1167603135 /nfs/dbraw/zinc/60/31/35/1167603135.db2.gz JKDUNBIHAXEOPW-UHFFFAOYSA-N -1 3 322.288 0.580 20 30 DCEDHM N#Cc1cc(NC(=O)c2cc3n(n2)CCO3)ccc1-c1nn[n-]n1 ZINC001592689197 1167603138 /nfs/dbraw/zinc/60/31/38/1167603138.db2.gz JKDUNBIHAXEOPW-UHFFFAOYSA-N -1 3 322.288 0.580 20 30 DCEDHM N#Cc1cnnc(NCCNc2ncccc2-c2nnn[n-]2)c1 ZINC001592704032 1167604495 /nfs/dbraw/zinc/60/44/95/1167604495.db2.gz PAKXZHJTKNMEBD-UHFFFAOYSA-N -1 3 308.309 0.447 20 30 DCEDHM N#Cc1cnnc(NCCNc2ncccc2-c2nn[n-]n2)c1 ZINC001592704032 1167604498 /nfs/dbraw/zinc/60/44/98/1167604498.db2.gz PAKXZHJTKNMEBD-UHFFFAOYSA-N -1 3 308.309 0.447 20 30 DCEDHM N#Cc1ncn(C[C@H]2CCC3(CCOCC3)O2)c1-c1nnn[n-]1 ZINC001592709430 1167608438 /nfs/dbraw/zinc/60/84/38/1167608438.db2.gz FIOZGVKUGJVIOX-SNVBAGLBSA-N -1 3 315.337 0.663 20 30 DCEDHM N#Cc1ncn(CC[S@](=O)c2ccccc2)c1-c1nnn[n-]1 ZINC001592709559 1167608729 /nfs/dbraw/zinc/60/87/29/1167608729.db2.gz JLWORYZIZQGMGN-QFIPXVFZSA-N -1 3 313.346 0.743 20 30 DCEDHM N#Cc1ncn(CC(=O)c2c[nH]c3ncccc23)c1-c1nnn[n-]1 ZINC001592709641 1167610407 /nfs/dbraw/zinc/61/04/07/1167610407.db2.gz LJGDAEASGRFEET-UHFFFAOYSA-N -1 3 319.288 0.694 20 30 DCEDHM O=S1(=O)CCC[C@@H](NN=Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001593464188 1167855122 /nfs/dbraw/zinc/85/51/22/1167855122.db2.gz ZPAWOMLYVGUEOG-GFCCVEGCSA-N -1 3 320.378 0.367 20 30 DCEDHM O=S1(=O)CCC[C@@H](NN=Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001593464188 1167855136 /nfs/dbraw/zinc/85/51/36/1167855136.db2.gz ZPAWOMLYVGUEOG-GFCCVEGCSA-N -1 3 320.378 0.367 20 30 DCEDHM N#C[C@@H]1CNCC12CC(C(=O)N1C[C@@H]3CCC[C@H]3[C@@H]1C(=O)[O-])C2 ZINC001601062875 1168579632 /nfs/dbraw/zinc/57/96/32/1168579632.db2.gz KYMOFFCCWQDYEN-IUIOUMKBSA-N -1 3 317.389 0.837 20 30 DCEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(S(N)(=O)=O)CC2)c1 ZINC001601119802 1168587452 /nfs/dbraw/zinc/58/74/52/1168587452.db2.gz YQUKZBCNBXMCOC-CYBMUJFWSA-N -1 3 323.374 0.437 20 30 DCEDHM C#C[C@H](CC)NC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001602690428 1169161167 /nfs/dbraw/zinc/16/11/67/1169161167.db2.gz VPMLHAQZAGQYHD-GFCCVEGCSA-N -1 3 314.349 0.957 20 30 DCEDHM C#CC1(F)CN(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001602691023 1169161802 /nfs/dbraw/zinc/16/18/02/1169161802.db2.gz PMMPYNOLYDOHBV-UHFFFAOYSA-N -1 3 300.297 0.462 20 30 DCEDHM C#CCN1CCC(C(=O)N[C@]2(CC(=O)[O-])CCCOC2)CC1 ZINC001602720856 1169170005 /nfs/dbraw/zinc/17/00/05/1169170005.db2.gz JTCDIINVCWRPDF-INIZCTEOSA-N -1 3 308.378 0.472 20 30 DCEDHM C#CCOCCOC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602732023 1169174571 /nfs/dbraw/zinc/17/45/71/1169174571.db2.gz LYIDIJKWOOHFSP-UHFFFAOYSA-N -1 3 302.290 0.682 20 30 DCEDHM C#CCOCCOC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602732023 1169174574 /nfs/dbraw/zinc/17/45/74/1169174574.db2.gz LYIDIJKWOOHFSP-UHFFFAOYSA-N -1 3 302.290 0.682 20 30 DCEDHM C=C(C)C[C@@H](CO)NC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001602752969 1169179557 /nfs/dbraw/zinc/17/95/57/1169179557.db2.gz JFFGKBGOGJPFRC-ZDUSSCGKSA-N -1 3 301.350 0.853 20 30 DCEDHM C=C(C)C[C@@H](CO)NC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001602752969 1169179562 /nfs/dbraw/zinc/17/95/62/1169179562.db2.gz JFFGKBGOGJPFRC-ZDUSSCGKSA-N -1 3 301.350 0.853 20 30 DCEDHM C=C[C@H](O)C(=O)N1CCN(c2ccsc2-c2nnn[n-]2)CC1 ZINC001602804520 1169186626 /nfs/dbraw/zinc/18/66/26/1169186626.db2.gz UNBIMDQTNCNLAA-JTQLQIEISA-N -1 3 320.378 0.124 20 30 DCEDHM C=CCC[C@H](CO)NC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001602833769 1169191273 /nfs/dbraw/zinc/19/12/73/1169191273.db2.gz 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C=CCCOC(=O)[C@@H](C)OC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001588609601 1166571078 /nfs/dbraw/zinc/57/10/78/1166571078.db2.gz RRAOEINHGKFIEA-MRVPVSSYSA-N -1 3 305.294 0.859 20 30 DCEDHM C=CCCOC(=O)[C@@H](C)OC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001588609601 1166571084 /nfs/dbraw/zinc/57/10/84/1166571084.db2.gz RRAOEINHGKFIEA-MRVPVSSYSA-N -1 3 305.294 0.859 20 30 DCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnnn1C ZINC001588647742 1166572719 /nfs/dbraw/zinc/57/27/19/1166572719.db2.gz DHIDQDBRQZBBOH-UHFFFAOYSA-N -1 3 324.348 0.824 20 30 DCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnnn1C ZINC001588647742 1166572727 /nfs/dbraw/zinc/57/27/27/1166572727.db2.gz DHIDQDBRQZBBOH-UHFFFAOYSA-N -1 3 324.348 0.824 20 30 DCEDHM C=CCNC(=O)CNC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001588659798 1166576129 /nfs/dbraw/zinc/57/61/29/1166576129.db2.gz RAKMCRKILXVOTM-UHFFFAOYSA-N -1 3 304.285 0.038 20 30 DCEDHM C=CCNC(=O)CNC(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001588659798 1166576137 /nfs/dbraw/zinc/57/61/37/1166576137.db2.gz RAKMCRKILXVOTM-UHFFFAOYSA-N -1 3 304.285 0.038 20 30 DCEDHM C=CCNC(=O)CNc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001588658489 1166577485 /nfs/dbraw/zinc/57/74/85/1166577485.db2.gz MRSYTCVTKLBTRY-UHFFFAOYSA-N -1 3 303.282 0.489 20 30 DCEDHM C=CCNC(=O)CNc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001588658489 1166577490 /nfs/dbraw/zinc/57/74/90/1166577490.db2.gz MRSYTCVTKLBTRY-UHFFFAOYSA-N -1 3 303.282 0.489 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588728984 1166580994 /nfs/dbraw/zinc/58/09/94/1166580994.db2.gz ZWZQHFORRFCVHJ-OLZOCXBDSA-N -1 3 315.333 0.705 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588728984 1166581001 /nfs/dbraw/zinc/58/10/01/1166581001.db2.gz ZWZQHFORRFCVHJ-OLZOCXBDSA-N -1 3 315.333 0.705 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588727518 1166582593 /nfs/dbraw/zinc/58/25/93/1166582593.db2.gz CDOAYEHOFBNLME-NEPJUHHUSA-N -1 3 321.362 0.489 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588727518 1166582599 /nfs/dbraw/zinc/58/25/99/1166582599.db2.gz CDOAYEHOFBNLME-NEPJUHHUSA-N -1 3 321.362 0.489 20 30 DCEDHM CC#CCN(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588747436 1166583470 /nfs/dbraw/zinc/58/34/70/1166583470.db2.gz GNAWCXSAHOCDBI-UHFFFAOYSA-N -1 3 309.326 0.650 20 30 DCEDHM CC#CCN(C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001588747436 1166583474 /nfs/dbraw/zinc/58/34/74/1166583474.db2.gz GNAWCXSAHOCDBI-UHFFFAOYSA-N -1 3 309.326 0.650 20 30 DCEDHM CC#CCN(C)S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001588747607 1166584110 /nfs/dbraw/zinc/58/41/10/1166584110.db2.gz NQHCXBWYFCJYKN-UHFFFAOYSA-N -1 3 323.353 0.791 20 30 DCEDHM CC#CCN(C)S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001588747607 1166584113 /nfs/dbraw/zinc/58/41/13/1166584113.db2.gz NQHCXBWYFCJYKN-UHFFFAOYSA-N -1 3 323.353 0.791 20 30 DCEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1COCCO1 ZINC001588777064 1166587496 /nfs/dbraw/zinc/58/74/96/1166587496.db2.gz AFJGBIAGBSYACS-ZDUSSCGKSA-N -1 3 302.338 0.748 20 30 DCEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@@H]1COCCO1 ZINC001588777064 1166587504 /nfs/dbraw/zinc/58/75/04/1166587504.db2.gz AFJGBIAGBSYACS-ZDUSSCGKSA-N -1 3 302.338 0.748 20 30 DCEDHM CC(=O)Oc1ccc(Cn2cnc(C#N)c2-c2nnn[n-]2)cc1 ZINC001588888012 1166614204 /nfs/dbraw/zinc/61/42/04/1166614204.db2.gz HICIMKMTXYOXPC-UHFFFAOYSA-N -1 3 309.289 0.908 20 30 DCEDHM C[C@@H](C#N)CN(C)CC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001588931172 1166618627 /nfs/dbraw/zinc/61/86/27/1166618627.db2.gz RPXZVOXVRLUZMO-NSHDSACASA-N -1 3 313.365 0.574 20 30 DCEDHM C[C@@H](C#N)CN(C)CC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001588931172 1166618633 /nfs/dbraw/zinc/61/86/33/1166618633.db2.gz RPXZVOXVRLUZMO-NSHDSACASA-N -1 3 313.365 0.574 20 30 DCEDHM C[C@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1)n1cnc(C#N)n1 ZINC001589031143 1166631438 /nfs/dbraw/zinc/63/14/38/1166631438.db2.gz SONDZXOMBVGWPA-SECBINFHSA-N -1 3 324.304 0.634 20 30 DCEDHM C[C@H](C(=O)OCc1ccc(-c2nn[n-]n2)cc1)n1cnc(C#N)n1 ZINC001589031143 1166631443 /nfs/dbraw/zinc/63/14/43/1166631443.db2.gz SONDZXOMBVGWPA-SECBINFHSA-N -1 3 324.304 0.634 20 30 DCEDHM CC(C)O[C@@]1(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)CCOC1 ZINC001589737186 1166680624 /nfs/dbraw/zinc/68/06/24/1166680624.db2.gz IMBODTZPECKMRD-CYBMUJFWSA-N -1 3 318.341 0.101 20 30 DCEDHM CC(C)O[C@@]1(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)CCOC1 ZINC001589737186 1166680628 /nfs/dbraw/zinc/68/06/28/1166680628.db2.gz IMBODTZPECKMRD-CYBMUJFWSA-N -1 3 318.341 0.101 20 30 DCEDHM C[C@@H](CC#N)NCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001589787808 1166687981 /nfs/dbraw/zinc/68/79/81/1166687981.db2.gz PTVDWXIILGNSBM-JTQLQIEISA-N -1 3 320.378 0.532 20 30 DCEDHM C[C@@H](CC#N)NCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001589787808 1166687983 /nfs/dbraw/zinc/68/79/83/1166687983.db2.gz PTVDWXIILGNSBM-JTQLQIEISA-N -1 3 320.378 0.532 20 30 DCEDHM C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001589787252 1166688908 /nfs/dbraw/zinc/68/89/08/1166688908.db2.gz IPELJQGZQYMJKZ-SSDOTTSWSA-N -1 3 317.284 0.363 20 30 DCEDHM C[C@H](CC#N)NC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001589787252 1166688915 /nfs/dbraw/zinc/68/89/15/1166688915.db2.gz IPELJQGZQYMJKZ-SSDOTTSWSA-N -1 3 317.284 0.363 20 30 DCEDHM C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1CC#N ZINC001590235324 1166824326 /nfs/dbraw/zinc/82/43/26/1166824326.db2.gz NSCCHEQYICKQSC-MWLCHTKSSA-N -1 3 314.353 0.301 20 30 DCEDHM C[C@@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1CC#N ZINC001590235324 1166824330 /nfs/dbraw/zinc/82/43/30/1166824330.db2.gz NSCCHEQYICKQSC-MWLCHTKSSA-N -1 3 314.353 0.301 20 30 DCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@@H]1CNCC#N ZINC001590296145 1166845205 /nfs/dbraw/zinc/84/52/05/1166845205.db2.gz ZIWZPENJQICLKP-KOLCDFICSA-N -1 3 314.353 0.016 20 30 DCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@@H]1CNCC#N ZINC001590296145 1166845208 /nfs/dbraw/zinc/84/52/08/1166845208.db2.gz ZIWZPENJQICLKP-KOLCDFICSA-N -1 3 314.353 0.016 20 30 DCEDHM CCS(=O)(=O)CCCCCn1cnc(C#N)c1-c1nnn[n-]1 ZINC001590846447 1167035602 /nfs/dbraw/zinc/03/56/02/1167035602.db2.gz KFXBTNFNTJAZOR-UHFFFAOYSA-N -1 3 323.382 0.540 20 30 DCEDHM COCC(COC)NN=C1CCc2ccc(-c3nnn[n-]3)cc21 ZINC001591377199 1167247073 /nfs/dbraw/zinc/24/70/73/1167247073.db2.gz HTRYRANSPKKPFJ-UHFFFAOYSA-N -1 3 316.365 0.768 20 30 DCEDHM COCC(COC)NN=C1CCc2ccc(-c3nn[n-]n3)cc21 ZINC001591377199 1167247076 /nfs/dbraw/zinc/24/70/76/1167247076.db2.gz HTRYRANSPKKPFJ-UHFFFAOYSA-N -1 3 316.365 0.768 20 30 DCEDHM COCC(COC)NN=C(C)c1cc(-c2nnn[n-]2)ccn1 ZINC001591377719 1167249176 /nfs/dbraw/zinc/24/91/76/1167249176.db2.gz POOLJULKIQTZQQ-UHFFFAOYSA-N -1 3 305.342 0.237 20 30 DCEDHM COCC(COC)NN=C(C)c1cc(-c2nn[n-]n2)ccn1 ZINC001591377719 1167249185 /nfs/dbraw/zinc/24/91/85/1167249185.db2.gz POOLJULKIQTZQQ-UHFFFAOYSA-N -1 3 305.342 0.237 20 30 DCEDHM COC[C@@H](CSc1nc(N)c(C#N)cc1-c1nnn[n-]1)OC ZINC001591378186 1167250551 /nfs/dbraw/zinc/25/05/51/1167250551.db2.gz YVLJLDMZKHPURD-QMMMGPOBSA-N -1 3 321.366 0.469 20 30 DCEDHM COC[C@@H](CSc1nc(N)c(C#N)cc1-c1nn[n-]n1)OC ZINC001591378186 1167250559 /nfs/dbraw/zinc/25/05/59/1167250559.db2.gz YVLJLDMZKHPURD-QMMMGPOBSA-N -1 3 321.366 0.469 20 30 DCEDHM COCCNC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591432666 1167284976 /nfs/dbraw/zinc/28/49/76/1167284976.db2.gz SWUBZMUTTOYJCE-LBPRGKRZSA-N -1 3 300.322 0.312 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1Cn1cnc(C#N)cc1=O ZINC001591486764 1167311228 /nfs/dbraw/zinc/31/12/28/1167311228.db2.gz FCMLQYNBSLFICX-UHFFFAOYSA-N -1 3 309.289 0.352 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1Cn1cnc(C#N)cc1=O ZINC001591486764 1167311233 /nfs/dbraw/zinc/31/12/33/1167311233.db2.gz FCMLQYNBSLFICX-UHFFFAOYSA-N -1 3 309.289 0.352 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@H](C)CC#N ZINC001591497758 1167315901 /nfs/dbraw/zinc/31/59/01/1167315901.db2.gz HSCROMXLSGSHDK-SECBINFHSA-N -1 3 316.321 0.672 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@H](C)CC#N ZINC001591497758 1167315904 /nfs/dbraw/zinc/31/59/04/1167315904.db2.gz HSCROMXLSGSHDK-SECBINFHSA-N -1 3 316.321 0.672 20 30 DCEDHM COc1ncc(NC(=O)NC[C@H](C)C#N)cc1-c1nnn[n-]1 ZINC001591664406 1167344486 /nfs/dbraw/zinc/34/44/86/1167344486.db2.gz LWJDCJLKTJKTEW-SSDOTTSWSA-N -1 3 302.298 0.551 20 30 DCEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N[C@@]1(C#N)CCSC1 ZINC001591879677 1167408345 /nfs/dbraw/zinc/40/83/45/1167408345.db2.gz SJVJSRVSYGLRAE-CYBMUJFWSA-N -1 3 315.362 0.699 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N[C@@]1(C#N)CCSC1 ZINC001591879677 1167408349 /nfs/dbraw/zinc/40/83/49/1167408349.db2.gz SJVJSRVSYGLRAE-CYBMUJFWSA-N -1 3 315.362 0.699 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1noc(C(C)(C)C)n1 ZINC001592339508 1167493371 /nfs/dbraw/zinc/49/33/71/1167493371.db2.gz AWHNZBNFWBCWHJ-UHFFFAOYSA-N -1 3 313.325 0.972 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1noc(C(C)(C)C)n1 ZINC001592339508 1167493374 /nfs/dbraw/zinc/49/33/74/1167493374.db2.gz AWHNZBNFWBCWHJ-UHFFFAOYSA-N -1 3 313.325 0.972 20 30 DCEDHM Cc1nn(C)c(NC(=O)c2ccc(-c3nnn[n-]3)n2C)c1C#N ZINC001592433021 1167520251 /nfs/dbraw/zinc/52/02/51/1167520251.db2.gz QRFRNOMIARNHBI-UHFFFAOYSA-N -1 3 311.309 0.371 20 30 DCEDHM Cc1nn(C)c(NC(=O)c2ccc(-c3nn[n-]n3)n2C)c1C#N ZINC001592433021 1167520256 /nfs/dbraw/zinc/52/02/56/1167520256.db2.gz QRFRNOMIARNHBI-UHFFFAOYSA-N -1 3 311.309 0.371 20 30 DCEDHM N#CC1(CC(=O)Nc2ccncc2-c2nnn[n-]2)CCOCC1 ZINC001592667552 1167591592 /nfs/dbraw/zinc/59/15/92/1167591592.db2.gz ZBYXQUJRIFXAGM-UHFFFAOYSA-N -1 3 313.321 0.333 20 30 DCEDHM N#CC1(CC(=O)Nc2ccncc2-c2nn[n-]n2)CCOCC1 ZINC001592667552 1167591597 /nfs/dbraw/zinc/59/15/97/1167591597.db2.gz ZBYXQUJRIFXAGM-UHFFFAOYSA-N -1 3 313.321 0.333 20 30 DCEDHM N#C[C@H]1CN(C(=O)c2cc(-c3nnn[n-]3)ccc2F)CCO1 ZINC001592671862 1167593856 /nfs/dbraw/zinc/59/38/56/1167593856.db2.gz QHHQYXCYHMZUEK-VIFPVBQESA-N -1 3 302.269 0.370 20 30 DCEDHM N#C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC001592671862 1167593861 /nfs/dbraw/zinc/59/38/61/1167593861.db2.gz QHHQYXCYHMZUEK-VIFPVBQESA-N -1 3 302.269 0.370 20 30 DCEDHM N#C[C@]1(F)CCN([C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001592670715 1167594477 /nfs/dbraw/zinc/59/44/77/1167594477.db2.gz LSKSXSFMMXCMLA-SMDDNHRTSA-N -1 3 315.312 0.331 20 30 DCEDHM N#C[C@]1(F)CCN([C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592670715 1167594481 /nfs/dbraw/zinc/59/44/81/1167594481.db2.gz LSKSXSFMMXCMLA-SMDDNHRTSA-N -1 3 315.312 0.331 20 30 DCEDHM N#CC[C@@]1(O)CCN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001592675988 1167595866 /nfs/dbraw/zinc/59/58/66/1167595866.db2.gz YVRMGAGURQOITP-CQSZACIVSA-N -1 3 302.313 0.856 20 30 DCEDHM N#CC[C@]1(O)CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001592676034 1167595957 /nfs/dbraw/zinc/59/59/57/1167595957.db2.gz ZVIMJXOVKWXHNT-AWEZNQCLSA-N -1 3 302.313 0.856 20 30 DCEDHM N#CC[C@]1(O)CCN(Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001592676034 1167595964 /nfs/dbraw/zinc/59/59/64/1167595964.db2.gz ZVIMJXOVKWXHNT-AWEZNQCLSA-N -1 3 302.313 0.856 20 30 DCEDHM N#CCN1CCN(C(=O)c2cscc2-c2nnn[n-]2)CC1 ZINC001592678475 1167598420 /nfs/dbraw/zinc/59/84/20/1167598420.db2.gz YHBHJEWWCBQRFV-UHFFFAOYSA-N -1 3 303.351 0.210 20 30 DCEDHM N#CCN1CCN(C(=O)c2cscc2-c2nn[n-]n2)CC1 ZINC001592678475 1167598425 /nfs/dbraw/zinc/59/84/25/1167598425.db2.gz YHBHJEWWCBQRFV-UHFFFAOYSA-N -1 3 303.351 0.210 20 30 DCEDHM N#C[C@H]1CC[C@@H](NC(=O)NCc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001592680950 1167598651 /nfs/dbraw/zinc/59/86/51/1167598651.db2.gz BJUANUMKQLBKFF-GXSJLCMTSA-N -1 3 312.337 0.753 20 30 DCEDHM N#C[C@H]1CC[C@@H](NC(=O)NCc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001592680950 1167598657 /nfs/dbraw/zinc/59/86/57/1167598657.db2.gz BJUANUMKQLBKFF-GXSJLCMTSA-N -1 3 312.337 0.753 20 30 DCEDHM N#CCN(C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC001592677995 1167598775 /nfs/dbraw/zinc/59/87/75/1167598775.db2.gz YZDDDEWCAFPNLS-ZDUSSCGKSA-N -1 3 314.349 0.594 20 30 DCEDHM N#Cc1ccc(NCCNc2nnccc2-c2nnn[n-]2)nc1 ZINC001592696913 1167601672 /nfs/dbraw/zinc/60/16/72/1167601672.db2.gz IDMPYCKYPSHUGT-UHFFFAOYSA-N -1 3 308.309 0.447 20 30 DCEDHM N#Cc1ccc(NCCNc2nnccc2-c2nn[n-]n2)nc1 ZINC001592696913 1167601679 /nfs/dbraw/zinc/60/16/79/1167601679.db2.gz IDMPYCKYPSHUGT-UHFFFAOYSA-N -1 3 308.309 0.447 20 30 DCEDHM N#Cc1ccc(=O)n(CCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC001592690403 1167602715 /nfs/dbraw/zinc/60/27/15/1167602715.db2.gz UWRRZOVQAKEMOZ-UHFFFAOYSA-N -1 3 308.301 0.979 20 30 DCEDHM N#Cc1ccc(=O)n(CCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC001592690403 1167602719 /nfs/dbraw/zinc/60/27/19/1167602719.db2.gz UWRRZOVQAKEMOZ-UHFFFAOYSA-N -1 3 308.301 0.979 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H]1CN2CCN1CC2 ZINC001592699790 1167604246 /nfs/dbraw/zinc/60/42/46/1167604246.db2.gz MQJJDBIUGSSTKT-LBPRGKRZSA-N -1 3 310.365 0.150 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H]1CN2CCN1CC2 ZINC001592699790 1167604250 /nfs/dbraw/zinc/60/42/50/1167604250.db2.gz MQJJDBIUGSSTKT-LBPRGKRZSA-N -1 3 310.365 0.150 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCN2CCOC[C@H]2C1 ZINC001592699160 1167605637 /nfs/dbraw/zinc/60/56/37/1167605637.db2.gz QDKLMEWKDMGKBD-GFCCVEGCSA-N -1 3 311.349 0.259 20 30 DCEDHM N#Cc1ccc(N2CCN(C(=O)[C@@H](N)CCC(=O)[O-])CC2)cc1 ZINC001601103931 1168585743 /nfs/dbraw/zinc/58/57/43/1168585743.db2.gz AGNMGHKICWEIGG-AWEZNQCLSA-N -1 3 316.361 0.399 20 30 DCEDHM N#Cc1ccccc1OC[C@H](O)CN1CCN(CC(=O)[O-])CC1 ZINC001601126745 1168589567 /nfs/dbraw/zinc/58/95/67/1168589567.db2.gz MSQFLWVGTWCLFC-CQSZACIVSA-N -1 3 319.361 0.000 20 30 DCEDHM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NCC#Cc2ccccc2)C1 ZINC001601777844 1168880159 /nfs/dbraw/zinc/88/01/59/1168880159.db2.gz AXSXGJJNBWJJBW-QKPAOTATSA-N -1 3 312.369 0.996 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602696922 1169162855 /nfs/dbraw/zinc/16/28/55/1169162855.db2.gz HMDGCTBRLXNAQO-PWSUYJOCSA-N -1 3 315.333 0.134 20 30 DCEDHM C#C[C@@H]1COCCN1C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC001602696637 1169163030 /nfs/dbraw/zinc/16/30/30/1169163030.db2.gz LIFZOQUUFFDSJN-SECBINFHSA-N -1 3 319.271 0.619 20 30 DCEDHM 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1166741166 /nfs/dbraw/zinc/74/11/66/1166741166.db2.gz FWIJTZYCXUGEMF-CABZTGNLSA-N -1 3 300.322 0.324 20 30 DCEDHM CC[C@H](CC#N)NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590420492 1166903857 /nfs/dbraw/zinc/90/38/57/1166903857.db2.gz YQNGLXHTAAJOOP-VXGBXAGGSA-N -1 3 300.322 0.709 20 30 DCEDHM CC[C@H](CC#N)NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590420492 1166903861 /nfs/dbraw/zinc/90/38/61/1166903861.db2.gz YQNGLXHTAAJOOP-VXGBXAGGSA-N -1 3 300.322 0.709 20 30 DCEDHM CC[C@@H](CO)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590856656 1167038432 /nfs/dbraw/zinc/03/84/32/1167038432.db2.gz MVCWUZSDTKQBNV-OLZOCXBDSA-N -1 3 314.349 0.436 20 30 DCEDHM COC[C@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001591367596 1167237933 /nfs/dbraw/zinc/23/79/33/1167237933.db2.gz AGKSVVHRGQIXAR-AWEZNQCLSA-N -1 3 316.321 0.534 20 30 DCEDHM COC[C@](C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001591367596 1167237939 /nfs/dbraw/zinc/23/79/39/1167237939.db2.gz AGKSVVHRGQIXAR-AWEZNQCLSA-N -1 3 316.321 0.534 20 30 DCEDHM COC[C@@H](CSc1nc(N)c(-c2nnn[n-]2)cc1C#N)OC ZINC001591376939 1167247530 /nfs/dbraw/zinc/24/75/30/1167247530.db2.gz COVOLAQHDPNINR-QMMMGPOBSA-N -1 3 321.366 0.469 20 30 DCEDHM COC[C@@H](CSc1nc(N)c(-c2nn[n-]n2)cc1C#N)OC ZINC001591376939 1167247537 /nfs/dbraw/zinc/24/75/37/1167247537.db2.gz COVOLAQHDPNINR-QMMMGPOBSA-N -1 3 321.366 0.469 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1Cn1cnc(C#N)c1C#N ZINC001591486959 1167311619 /nfs/dbraw/zinc/31/16/19/1167311619.db2.gz NGNKQYBMAZJGCK-UHFFFAOYSA-N -1 3 306.289 0.863 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1Cn1cnc(C#N)c1C#N ZINC001591486959 1167311626 /nfs/dbraw/zinc/31/16/26/1167311626.db2.gz NGNKQYBMAZJGCK-UHFFFAOYSA-N -1 3 306.289 0.863 20 30 DCEDHM Cc1c(C(=O)C=Cc2cnn(C)n2)c(-c2nnn[n-]2)c2n1CCC2 ZINC001591801735 1167383613 /nfs/dbraw/zinc/38/36/13/1167383613.db2.gz LVKGUVFRTQSCTB-AATRIKPKSA-N -1 3 324.348 0.947 20 30 DCEDHM Cc1c(C(=O)C=Cc2cnn(C)n2)c(-c2nn[n-]n2)c2n1CCC2 ZINC001591801735 1167383617 /nfs/dbraw/zinc/38/36/17/1167383617.db2.gz 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N#C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC001581857052 1165889611 /nfs/dbraw/zinc/88/96/11/1165889611.db2.gz OASHBBOGUXTUAA-MELADBBJSA-N -1 3 324.344 0.721 20 30 DCEDHM N#C[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001581860163 1165891046 /nfs/dbraw/zinc/89/10/46/1165891046.db2.gz NCIDCSNVWJNAEH-VXGBXAGGSA-N -1 3 324.348 0.070 20 30 DCEDHM N#C[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001581860163 1165891054 /nfs/dbraw/zinc/89/10/54/1165891054.db2.gz NCIDCSNVWJNAEH-VXGBXAGGSA-N -1 3 324.348 0.070 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)NC/C=C/CNC(=O)C#CC(C)C ZINC001583299565 1166241256 /nfs/dbraw/zinc/24/12/56/1166241256.db2.gz LVRBYQWEQPVASE-SNAWJCMRSA-N -1 3 316.361 0.552 20 30 DCEDHM C#C[C@@H](C)N(C)c1nnc(-c2cncc(-c3nnn[n-]3)c2)n1CC ZINC001588326127 1166522998 /nfs/dbraw/zinc/52/29/98/1166522998.db2.gz FHEBVXOKZBSJKZ-SNVBAGLBSA-N -1 3 323.364 0.998 20 30 DCEDHM C#C[C@@H](C)N(C)c1nnc(-c2cncc(-c3nn[n-]n3)c2)n1CC ZINC001588326127 1166523007 /nfs/dbraw/zinc/52/30/07/1166523007.db2.gz FHEBVXOKZBSJKZ-SNVBAGLBSA-N -1 3 323.364 0.998 20 30 DCEDHM C#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)cn1C)[C@H]1CCCO1 ZINC001588329969 1166525717 /nfs/dbraw/zinc/52/57/17/1166525717.db2.gz RWAFTZGDUCIHMP-CMPLNLGQSA-N -1 3 300.322 0.116 20 30 DCEDHM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)cn1C)[C@H]1CCCO1 ZINC001588329969 1166525723 /nfs/dbraw/zinc/52/57/23/1166525723.db2.gz RWAFTZGDUCIHMP-CMPLNLGQSA-N -1 3 300.322 0.116 20 30 DCEDHM C#C[C@H](NC(=O)c1cc(-c2nnn[n-]2)[nH]c1C)[C@@H]1CCCO1 ZINC001588329622 1166526828 /nfs/dbraw/zinc/52/68/28/1166526828.db2.gz KEXSAMLKAWDCPT-JQWIXIFHSA-N -1 3 300.322 0.414 20 30 DCEDHM C#C[C@H](NC(=O)c1cc(-c2nn[n-]n2)[nH]c1C)[C@@H]1CCCO1 ZINC001588329622 1166526833 /nfs/dbraw/zinc/52/68/33/1166526833.db2.gz KEXSAMLKAWDCPT-JQWIXIFHSA-N -1 3 300.322 0.414 20 30 DCEDHM C#C[C@@H]1COCCN1C(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588331770 1166528615 /nfs/dbraw/zinc/52/86/15/1166528615.db2.gz WCLWBXATKPLPMR-GFCCVEGCSA-N -1 3 313.317 0.106 20 30 DCEDHM C#C[C@@H]1COCCN1C(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588331770 1166528621 /nfs/dbraw/zinc/52/86/21/1166528621.db2.gz WCLWBXATKPLPMR-GFCCVEGCSA-N -1 3 313.317 0.106 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)C1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001588331809 1166529581 /nfs/dbraw/zinc/52/95/81/1166529581.db2.gz SAWJRKSILXLQAD-ZDUSSCGKSA-N -1 3 311.345 0.399 20 30 DCEDHM C#CC[C@@H](CO)NC(=O)C1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001588331809 1166529588 /nfs/dbraw/zinc/52/95/88/1166529588.db2.gz SAWJRKSILXLQAD-ZDUSSCGKSA-N -1 3 311.345 0.399 20 30 DCEDHM C#CCC[C@H](O)CNc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC001588337476 1166536419 /nfs/dbraw/zinc/53/64/19/1166536419.db2.gz QKEHPRBPLCEQCZ-JTQLQIEISA-N -1 3 302.294 0.961 20 30 DCEDHM C#CCN(CC#N)S(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1 ZINC001588350228 1166539631 /nfs/dbraw/zinc/53/96/31/1166539631.db2.gz JUCLGNRIFPAQAF-UHFFFAOYSA-N -1 3 316.346 0.323 20 30 DCEDHM C#CCN(CC#N)S(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1 ZINC001588350228 1166539636 /nfs/dbraw/zinc/53/96/36/1166539636.db2.gz JUCLGNRIFPAQAF-UHFFFAOYSA-N -1 3 316.346 0.323 20 30 DCEDHM C#CCO[C@@H](C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001588360750 1166546443 /nfs/dbraw/zinc/54/64/43/1166546443.db2.gz UUHWHFAKEZXRRS-VIFPVBQESA-N -1 3 301.306 0.852 20 30 DCEDHM C#CCO[C@@H](C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001588360750 1166546451 /nfs/dbraw/zinc/54/64/51/1166546451.db2.gz UUHWHFAKEZXRRS-VIFPVBQESA-N -1 3 301.306 0.852 20 30 DCEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588400555 1166548487 /nfs/dbraw/zinc/54/84/87/1166548487.db2.gz ASDKHDRHYRBCES-GWCFXTLKSA-N -1 3 316.365 0.916 20 30 DCEDHM C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588400555 1166548497 /nfs/dbraw/zinc/54/84/97/1166548497.db2.gz ASDKHDRHYRBCES-GWCFXTLKSA-N -1 3 316.365 0.916 20 30 DCEDHM C=C(C)C[C@@H](C)C(=O)OCCn1ncc(-c2nnn[n-]2)c1N ZINC001588405697 1166551055 /nfs/dbraw/zinc/55/10/55/1166551055.db2.gz PBADKLFUZKMIHT-SECBINFHSA-N -1 3 305.342 0.791 20 30 DCEDHM C=C(C)C[C@@H](C)C(=O)OCCn1ncc(-c2nn[n-]n2)c1N ZINC001588405697 1166551060 /nfs/dbraw/zinc/55/10/60/1166551060.db2.gz PBADKLFUZKMIHT-SECBINFHSA-N -1 3 305.342 0.791 20 30 DCEDHM C=CCC1(O)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nnn[n-]2)C1 ZINC001588561345 1166562172 /nfs/dbraw/zinc/56/21/72/1166562172.db2.gz ZYUUOLLYHWKZTP-UHFFFAOYSA-N -1 3 317.309 0.484 20 30 DCEDHM C=CCC1(O)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[n-]n2)C1 ZINC001588561345 1166562176 /nfs/dbraw/zinc/56/21/76/1166562176.db2.gz ZYUUOLLYHWKZTP-UHFFFAOYSA-N -1 3 317.309 0.484 20 30 DCEDHM C=CCCC(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001588569622 1166562379 /nfs/dbraw/zinc/56/23/79/1166562379.db2.gz DNJRHKKBZMXEPP-LLVKDONJSA-N -1 3 313.365 0.923 20 30 DCEDHM C=CCCC(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001588569622 1166562384 /nfs/dbraw/zinc/56/23/84/1166562384.db2.gz DNJRHKKBZMXEPP-LLVKDONJSA-N -1 3 313.365 0.923 20 30 DCEDHM C=CCN(CCOC)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588632101 1166573616 /nfs/dbraw/zinc/57/36/16/1166573616.db2.gz JUHUUMBMGMSTMQ-ZDUSSCGKSA-N -1 3 317.349 0.561 20 30 DCEDHM C=CCN(CCOC)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588632101 1166573621 /nfs/dbraw/zinc/57/36/21/1166573621.db2.gz JUHUUMBMGMSTMQ-ZDUSSCGKSA-N -1 3 317.349 0.561 20 30 DCEDHM C=CCNC(=S)NCCNc1ncccc1-c1nnn[n-]1 ZINC001588663331 1166576280 /nfs/dbraw/zinc/57/62/80/1166576280.db2.gz IQPULKMRSIHOCU-UHFFFAOYSA-N -1 3 304.383 0.324 20 30 DCEDHM C=CCNC(=S)NCCNc1ncccc1-c1nn[n-]n1 ZINC001588663331 1166576287 /nfs/dbraw/zinc/57/62/87/1166576287.db2.gz IQPULKMRSIHOCU-UHFFFAOYSA-N -1 3 304.383 0.324 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588658971 1166576580 /nfs/dbraw/zinc/57/65/80/1166576580.db2.gz GDZOTUDIRIUFCT-QMMMGPOBSA-N -1 3 304.310 0.053 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588658971 1166576584 /nfs/dbraw/zinc/57/65/84/1166576584.db2.gz GDZOTUDIRIUFCT-QMMMGPOBSA-N -1 3 304.310 0.053 20 30 DCEDHM C=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001588659548 1166576851 /nfs/dbraw/zinc/57/68/51/1166576851.db2.gz OMKZOIMRKSSPPO-LLVKDONJSA-N -1 3 312.333 0.522 20 30 DCEDHM C=CCNC(=O)[C@@H]1CC(=O)N(c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001588659548 1166576860 /nfs/dbraw/zinc/57/68/60/1166576860.db2.gz OMKZOIMRKSSPPO-LLVKDONJSA-N -1 3 312.333 0.522 20 30 DCEDHM C=CCNC(=O)CNC(=O)Nc1cc(F)cc(-c2nnn[n-]2)c1 ZINC001588660266 1166577364 /nfs/dbraw/zinc/57/73/64/1166577364.db2.gz XVMGYCCCTWHNPX-UHFFFAOYSA-N -1 3 319.300 0.430 20 30 DCEDHM C=CCNC(=O)CNC(=O)Nc1cc(F)cc(-c2nn[n-]n2)c1 ZINC001588660266 1166577372 /nfs/dbraw/zinc/57/73/72/1166577372.db2.gz XVMGYCCCTWHNPX-UHFFFAOYSA-N -1 3 319.300 0.430 20 30 DCEDHM C=CCOCCCNC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588683060 1166579460 /nfs/dbraw/zinc/57/94/60/1166579460.db2.gz XPINDYUMNOSMHF-UHFFFAOYSA-N -1 3 303.326 0.976 20 30 DCEDHM C=CCOCCCNC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588683060 1166579470 /nfs/dbraw/zinc/57/94/70/1166579470.db2.gz XPINDYUMNOSMHF-UHFFFAOYSA-N -1 3 303.326 0.976 20 30 DCEDHM C=CCO[C@H]1CCN(C(=O)c2cnccc2-c2nnn[n-]2)C1 ZINC001588665543 1166580087 /nfs/dbraw/zinc/58/00/87/1166580087.db2.gz MRIGWPYEVPDPBF-JTQLQIEISA-N -1 3 300.322 0.679 20 30 DCEDHM C=CCO[C@H]1CCN(C(=O)c2cnccc2-c2nn[n-]n2)C1 ZINC001588665543 1166580089 /nfs/dbraw/zinc/58/00/89/1166580089.db2.gz MRIGWPYEVPDPBF-JTQLQIEISA-N -1 3 300.322 0.679 20 30 DCEDHM CC#CC[C@H](CO)Nc1nnc(CC)c(CC)c1-c1nnn[n-]1 ZINC001588738920 1166585224 /nfs/dbraw/zinc/58/52/24/1166585224.db2.gz VMSVCMPDDGRAFH-SNVBAGLBSA-N -1 3 315.381 0.968 20 30 DCEDHM CC#CC[C@H](CO)Nc1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC001588738920 1166585232 /nfs/dbraw/zinc/58/52/32/1166585232.db2.gz VMSVCMPDDGRAFH-SNVBAGLBSA-N -1 3 315.381 0.968 20 30 DCEDHM CC[C@@H](C#N)N(CC)S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590367821 1166889801 /nfs/dbraw/zinc/88/98/01/1166889801.db2.gz KEDHORDJRVJEQV-JTQLQIEISA-N -1 3 321.366 0.574 20 30 DCEDHM CC[C@@H](C#N)N(CC)S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590367821 1166889806 /nfs/dbraw/zinc/88/98/06/1166889806.db2.gz KEDHORDJRVJEQV-JTQLQIEISA-N -1 3 321.366 0.574 20 30 DCEDHM CCN([C@@H](C)C#N)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001590676073 1166966178 /nfs/dbraw/zinc/96/61/78/1166966178.db2.gz AWACVJFVUJEDSQ-QMMMGPOBSA-N -1 3 324.341 0.928 20 30 DCEDHM CCN(CC#N)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001590679620 1166967117 /nfs/dbraw/zinc/96/71/17/1166967117.db2.gz CZGAYFISYAGACZ-GFCCVEGCSA-N -1 3 302.338 0.452 20 30 DCEDHM CCN(CC#N)[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001590680141 1166969560 /nfs/dbraw/zinc/96/95/60/1166969560.db2.gz XDYXTHRBCZJLGM-LBPRGKRZSA-N -1 3 300.322 0.926 20 30 DCEDHM CCN(CC#N)[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001590680141 1166969566 /nfs/dbraw/zinc/96/95/66/1166969566.db2.gz XDYXTHRBCZJLGM-LBPRGKRZSA-N -1 3 300.322 0.926 20 30 DCEDHM CCn1ncc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)n1 ZINC001590968737 1167061701 /nfs/dbraw/zinc/06/17/01/1167061701.db2.gz VEDPUJIMGBKBTI-UHFFFAOYSA-N -1 3 309.293 0.602 20 30 DCEDHM CCn1ncc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)n1 ZINC001590968737 1167061705 /nfs/dbraw/zinc/06/17/05/1167061705.db2.gz VEDPUJIMGBKBTI-UHFFFAOYSA-N -1 3 309.293 0.602 20 30 DCEDHM CN(C(C)(C)C#N)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590998283 1167069074 /nfs/dbraw/zinc/06/90/74/1167069074.db2.gz OJRKGNYSBMHJCM-UHFFFAOYSA-N -1 3 306.351 0.789 20 30 DCEDHM CN(C(C)(C)C#N)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590998283 1167069080 /nfs/dbraw/zinc/06/90/80/1167069080.db2.gz OJRKGNYSBMHJCM-UHFFFAOYSA-N -1 3 306.351 0.789 20 30 DCEDHM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1cc(C#N)ccn1 ZINC001591090266 1167103533 /nfs/dbraw/zinc/10/35/33/1167103533.db2.gz AVJGRWOVKKZNEI-UHFFFAOYSA-N -1 3 324.352 0.508 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1OCCn1cc(C#N)nn1 ZINC001591503412 1167314889 /nfs/dbraw/zinc/31/48/89/1167314889.db2.gz QNMJYPMAKOOYRY-UHFFFAOYSA-N -1 3 312.293 0.417 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1OCCn1cc(C#N)nn1 ZINC001591503412 1167314895 /nfs/dbraw/zinc/31/48/95/1167314895.db2.gz 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ZINC001591934402 1167419865 /nfs/dbraw/zinc/41/98/65/1167419865.db2.gz ODGVQKYAQOBWJT-UHFFFAOYSA-N -1 3 309.293 0.543 20 30 DCEDHM Cc1cc(NC(=O)Cn2c(C)nc(C#N)c2-c2nnn[n-]2)no1 ZINC001592019120 1167436946 /nfs/dbraw/zinc/43/69/46/1167436946.db2.gz FCVHYEOFLAZVJI-UHFFFAOYSA-N -1 3 313.281 0.178 20 30 DCEDHM Cc1cc(NC(=O)Cn2c(C)nc(C#N)c2-c2nn[n-]n2)no1 ZINC001592019120 1167436948 /nfs/dbraw/zinc/43/69/48/1167436948.db2.gz FCVHYEOFLAZVJI-UHFFFAOYSA-N -1 3 313.281 0.178 20 30 DCEDHM Cc1ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc1-c1nnn[n-]1 ZINC001592122293 1167461249 /nfs/dbraw/zinc/46/12/49/1167461249.db2.gz ICNYDGGBCXMFDN-HNNXBMFYSA-N -1 3 313.365 0.749 20 30 DCEDHM Cc1ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc1-c1nn[n-]n1 ZINC001592122293 1167461252 /nfs/dbraw/zinc/46/12/52/1167461252.db2.gz ICNYDGGBCXMFDN-HNNXBMFYSA-N -1 3 313.365 0.749 20 30 DCEDHM Cc1oc(C#N)cc1C(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001592505865 1167543581 /nfs/dbraw/zinc/54/35/81/1167543581.db2.gz OPPHHDAPCSPQEA-UHFFFAOYSA-N -1 3 309.289 0.965 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3 319.328 0.992 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCN(c2nc[nH]n2)CC1 ZINC001592698786 1167603020 /nfs/dbraw/zinc/60/30/20/1167603020.db2.gz HSCGNTMPFQBRLP-UHFFFAOYSA-N -1 3 322.336 0.183 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCN(c2nc[nH]n2)CC1 ZINC001592698786 1167603022 /nfs/dbraw/zinc/60/30/22/1167603022.db2.gz HSCGNTMPFQBRLP-UHFFFAOYSA-N -1 3 322.336 0.183 20 30 DCEDHM N#Cc1cccc(C(=O)Nc2n[nH]c(C3CC3)c2-c2nnn[n-]2)n1 ZINC001592700298 1167605646 /nfs/dbraw/zinc/60/56/46/1167605646.db2.gz BYXXROKSEQMSKC-UHFFFAOYSA-N -1 3 321.304 0.986 20 30 DCEDHM N#Cc1ncn(CCNc2nc3c(cc2-c2nnn[n-]2)CCC3)n1 ZINC001592709401 1167609285 /nfs/dbraw/zinc/60/92/85/1167609285.db2.gz DQYGABWXRUDBEP-UHFFFAOYSA-N -1 3 322.336 0.326 20 30 DCEDHM N#Cc1ncn(CCNc2nc3c(cc2-c2nn[n-]n2)CCC3)n1 ZINC001592709401 1167609289 /nfs/dbraw/zinc/60/92/89/1167609289.db2.gz DQYGABWXRUDBEP-UHFFFAOYSA-N -1 3 322.336 0.326 20 30 DCEDHM N#Cc1nn(CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC001592710343 1167609392 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C#C[C@H](NC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1)C1CCOCC1 ZINC001602674795 1169156969 /nfs/dbraw/zinc/15/69/69/1169156969.db2.gz VSFXVSOKCRSFHA-KGLIPLIRSA-N -1 3 323.393 0.073 20 30 DCEDHM C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC001602688978 1169160034 /nfs/dbraw/zinc/16/00/34/1169160034.db2.gz AFRGSHAZHLOQEG-JTQLQIEISA-N -1 3 312.333 0.594 20 30 DCEDHM C#C[C@H](C)N(C)C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC001602688978 1169160036 /nfs/dbraw/zinc/16/00/36/1169160036.db2.gz AFRGSHAZHLOQEG-JTQLQIEISA-N -1 3 312.333 0.594 20 30 DCEDHM C#C[C@@H](CO)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC001602689527 1169160881 /nfs/dbraw/zinc/16/08/81/1169160881.db2.gz SHMFPGZULOLROY-LBPRGKRZSA-N -1 3 317.374 0.210 20 30 DCEDHM C#C[C@@H](CO)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC001602689527 1169160882 /nfs/dbraw/zinc/16/08/82/1169160882.db2.gz SHMFPGZULOLROY-LBPRGKRZSA-N -1 3 317.374 0.210 20 30 DCEDHM C#C[C@@H]1COCCN1C(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001602696690 1169162407 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/nfs/dbraw/zinc/17/08/33/1158170833.db2.gz FQHAVLAESPJRDB-UHFFFAOYSA-N -1 3 303.366 0.882 20 30 DCEDHM C#CCNCc1cc(=O)[n-]c(CNC(=O)c2cscn2)n1 ZINC001565989182 1159933163 /nfs/dbraw/zinc/93/31/63/1159933163.db2.gz ACOPEHWXTKFIKR-UHFFFAOYSA-N -1 3 303.347 0.292 20 30 DCEDHM C[C@@]1(C(=O)NCc2nc(CNCC#N)cc(=O)[n-]2)C=CCC1 ZINC001565991639 1159941028 /nfs/dbraw/zinc/94/10/28/1159941028.db2.gz OTRLLXNELFDNTE-OAHLLOKOSA-N -1 3 301.350 0.768 20 30 DCEDHM COCC#CCN1CCC[C@H]1CNC(=O)c1cnc[n-]c1=O ZINC001567370149 1160334039 /nfs/dbraw/zinc/33/40/39/1160334039.db2.gz MFPUQFPKZXYYKI-LBPRGKRZSA-N -1 3 304.350 0.026 20 30 DCEDHM C[C@@H](C#N)C(=O)N1CCC(CCNCc2n[nH]c(=O)[n-]2)CC1 ZINC001568081139 1160574970 /nfs/dbraw/zinc/57/49/70/1160574970.db2.gz SYQRDOAHBHSKST-JTQLQIEISA-N -1 3 306.370 0.388 20 30 DCEDHM C#CCCN(C)CCN(C)C(=O)c1ccc2oc(=O)nc-2[n-]1 ZINC001568501756 1160661601 /nfs/dbraw/zinc/66/16/01/1160661601.db2.gz ROLSRYAJDTXIFH-UHFFFAOYSA-N -1 3 302.334 0.956 20 30 DCEDHM C#CCNC(=O)[C@H](C)N(C)C[C@H](C)NC(=O)c1ccccc1[O-] ZINC001569104555 1160943413 /nfs/dbraw/zinc/94/34/13/1160943413.db2.gz AENHHSCMJAAWJD-STQMWFEESA-N -1 3 317.389 0.580 20 30 DCEDHM Cc1nc[n-]c(=O)c1CCC(=O)N1CCC[C@H]1CNCC#N ZINC001569547570 1161111518 /nfs/dbraw/zinc/11/15/18/1161111518.db2.gz SFIXOSNHYNUIHF-LBPRGKRZSA-N -1 3 303.366 0.527 20 30 DCEDHM C=CCCOCC(=O)N1C[C@H](NC(=O)c2cn[n-]n2)CC[C@H]1C ZINC001572615643 1163248537 /nfs/dbraw/zinc/24/85/37/1163248537.db2.gz NXODJHTWXOICTA-VXGBXAGGSA-N -1 3 321.381 0.507 20 30 DCEDHM C#CCCCC(=O)NCCCN(CC)C(=O)c1cnc[n-]c1=O ZINC001577525263 1164714089 /nfs/dbraw/zinc/71/40/89/1164714089.db2.gz GEWGTUMYFGOJIZ-UHFFFAOYSA-N -1 3 318.377 0.954 20 30 DCEDHM CN(C(=O)[C@]1(C#N)CCCOC1)c1cc(-c2nnn[n-]2)ccn1 ZINC001578842905 1165138378 /nfs/dbraw/zinc/13/83/78/1165138378.db2.gz OBDAMQTWJPPGLJ-AWEZNQCLSA-N -1 3 313.321 0.545 20 30 DCEDHM CN(C(=O)[C@]1(C#N)CCCOC1)c1cc(-c2nn[n-]n2)ccn1 ZINC001578842905 1165138382 /nfs/dbraw/zinc/13/83/82/1165138382.db2.gz OBDAMQTWJPPGLJ-AWEZNQCLSA-N -1 3 313.321 0.545 20 30 DCEDHM COC[C@@]1(CO)CCN(c2c(C#N)cccc2-c2nnn[n-]2)C1 ZINC001579746989 1165385272 /nfs/dbraw/zinc/38/52/72/1165385272.db2.gz LKWYSTJZQHUGPE-HNNXBMFYSA-N -1 3 314.349 0.574 20 30 DCEDHM COC[C@@]1(CO)CCN(c2c(C#N)cccc2-c2nn[n-]n2)C1 ZINC001579746989 1165385275 /nfs/dbraw/zinc/38/52/75/1165385275.db2.gz LKWYSTJZQHUGPE-HNNXBMFYSA-N -1 3 314.349 0.574 20 30 DCEDHM Cc1cc(Sc2nnc(CC#N)n2C)ncc1-c1nnn[n-]1 ZINC001581044498 1165779869 /nfs/dbraw/zinc/77/98/69/1165779869.db2.gz BRGZGXYUYSJIGX-UHFFFAOYSA-N -1 3 313.350 0.916 20 30 DCEDHM Cc1cc(Sc2nnc(CC#N)n2C)ncc1-c1nn[n-]n1 ZINC001581044498 1165779873 /nfs/dbraw/zinc/77/98/73/1165779873.db2.gz BRGZGXYUYSJIGX-UHFFFAOYSA-N -1 3 313.350 0.916 20 30 DCEDHM Cc1nc(NC[C@H](C)NC(=O)[C@H](C)C#N)ccc1-c1nn[n-]n1 ZINC001581524485 1165839474 /nfs/dbraw/zinc/83/94/74/1165839474.db2.gz HDXOCZBEKBYIKT-BDAKNGLRSA-N -1 3 314.353 0.646 20 30 DCEDHM Cn1c(C(=O)NCc2ccc(C#N)cn2)ccc1-c1nnn[n-]1 ZINC001581752051 1165868241 /nfs/dbraw/zinc/86/82/41/1165868241.db2.gz HPAOCDDOHOZCPF-UHFFFAOYSA-N -1 3 308.305 0.402 20 30 DCEDHM Cn1c(C(=O)NCc2ccc(C#N)cn2)ccc1-c1nn[n-]n1 ZINC001581752051 1165868247 /nfs/dbraw/zinc/86/82/47/1165868247.db2.gz HPAOCDDOHOZCPF-UHFFFAOYSA-N -1 3 308.305 0.402 20 30 DCEDHM Cn1ncc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)n1 ZINC001581832114 1165882765 /nfs/dbraw/zinc/88/27/65/1165882765.db2.gz WROHOOJTYHNNET-UHFFFAOYSA-N -1 3 323.320 0.438 20 30 DCEDHM Cn1ncc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)n1 ZINC001581832114 1165882772 /nfs/dbraw/zinc/88/27/72/1165882772.db2.gz WROHOOJTYHNNET-UHFFFAOYSA-N -1 3 323.320 0.438 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccnnc1 ZINC001581856738 1165890105 /nfs/dbraw/zinc/89/01/05/1165890105.db2.gz BBQJLITXWHTPBW-LBPRGKRZSA-N -1 3 320.316 0.978 20 30 DCEDHM C#CCCCCC(=O)NC[C@H](O)CNC(=O)c1ccccc1[O-] ZINC001582988194 1166154506 /nfs/dbraw/zinc/15/45/06/1166154506.db2.gz MMKULOHGHWHSLY-ZDUSSCGKSA-N -1 3 318.373 0.793 20 30 DCEDHM C=C1CCC(C(=O)NCC=CCNC(=O)c2cn[n-]n2)CC1 ZINC001583471055 1166257373 /nfs/dbraw/zinc/25/73/73/1166257373.db2.gz APFWCGQGBLTDBX-NSCUHMNNSA-N -1 3 303.366 0.953 20 30 DCEDHM C#C[C@@H](C)N(C)c1nnc(Cc2ccc(-c3nnn[n-]3)cn2)n1C ZINC001588326807 1166524703 /nfs/dbraw/zinc/52/47/03/1166524703.db2.gz VLVCDEJJDBTUOI-SNVBAGLBSA-N -1 3 323.364 0.439 20 30 DCEDHM C#C[C@@H](C)N(C)c1nnc(Cc2ccc(-c3nn[n-]n3)cn2)n1C ZINC001588326807 1166524711 /nfs/dbraw/zinc/52/47/11/1166524711.db2.gz VLVCDEJJDBTUOI-SNVBAGLBSA-N -1 3 323.364 0.439 20 30 DCEDHM C#CCCCC(=O)N[C@H](C)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001588340830 1166535338 /nfs/dbraw/zinc/53/53/38/1166535338.db2.gz HUOUXINDFQKSMZ-LLVKDONJSA-N -1 3 313.365 0.982 20 30 DCEDHM C#CCCCC(=O)N[C@H](C)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001588340830 1166535341 /nfs/dbraw/zinc/53/53/41/1166535341.db2.gz HUOUXINDFQKSMZ-LLVKDONJSA-N -1 3 313.365 0.982 20 30 DCEDHM C#CCCCS(=O)(=O)NCCc1ccc(-c2nnn[n-]2)cc1 ZINC001588345430 1166535402 /nfs/dbraw/zinc/53/54/02/1166535402.db2.gz GGFRNAIDAUIWGH-UHFFFAOYSA-N -1 3 319.390 0.742 20 30 DCEDHM C#CCCCS(=O)(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001588345430 1166535407 /nfs/dbraw/zinc/53/54/07/1166535407.db2.gz GGFRNAIDAUIWGH-UHFFFAOYSA-N -1 3 319.390 0.742 20 30 DCEDHM C#CCCS(=O)(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC001588347784 1166537440 /nfs/dbraw/zinc/53/74/40/1166537440.db2.gz XGUNIXIIGZADPH-UHFFFAOYSA-N -1 3 309.326 0.449 20 30 DCEDHM C#CCCS(=O)(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC001588347784 1166537447 /nfs/dbraw/zinc/53/74/47/1166537447.db2.gz XGUNIXIIGZADPH-UHFFFAOYSA-N -1 3 309.326 0.449 20 30 DCEDHM C#CCCNC(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588347103 1166539033 /nfs/dbraw/zinc/53/90/33/1166539033.db2.gz KZDSRBWYFPFOTP-UHFFFAOYSA-N -1 3 300.322 0.698 20 30 DCEDHM C#CCCNC(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588347103 1166539037 /nfs/dbraw/zinc/53/90/37/1166539037.db2.gz KZDSRBWYFPFOTP-UHFFFAOYSA-N -1 3 300.322 0.698 20 30 DCEDHM C#CCNC(=O)COC(=O)c1cc(C)c(-c2nnn[n-]2)c(C)c1 ZINC001588354339 1166546083 /nfs/dbraw/zinc/54/60/83/1166546083.db2.gz XALONHPKFLAUHN-UHFFFAOYSA-N -1 3 313.317 0.390 20 30 DCEDHM C#CCNC(=O)COC(=O)c1cc(C)c(-c2nn[n-]n2)c(C)c1 ZINC001588354339 1166546089 /nfs/dbraw/zinc/54/60/89/1166546089.db2.gz XALONHPKFLAUHN-UHFFFAOYSA-N -1 3 313.317 0.390 20 30 DCEDHM C#Cc1cncc(C(=O)N(C)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC001588376779 1166549377 /nfs/dbraw/zinc/54/93/77/1166549377.db2.gz KTESMPYCPVSTOU-UHFFFAOYSA-N -1 3 305.301 0.915 20 30 DCEDHM C=C[C@@](C)(O)CC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC001588503705 1166558160 /nfs/dbraw/zinc/55/81/60/1166558160.db2.gz DLZXNGYARBMEEX-CQSZACIVSA-N -1 3 317.353 0.117 20 30 DCEDHM C=C[C@@](C)(O)CC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC001588503705 1166558166 /nfs/dbraw/zinc/55/81/66/1166558166.db2.gz DLZXNGYARBMEEX-CQSZACIVSA-N -1 3 317.353 0.117 20 30 DCEDHM C=CCCC(=O)NCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588572352 1166565384 /nfs/dbraw/zinc/56/53/84/1166565384.db2.gz FRJMFHAQYQTQBG-UHFFFAOYSA-N -1 3 303.326 0.007 20 30 DCEDHM C=CCCC(=O)NCCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588572352 1166565390 /nfs/dbraw/zinc/56/53/90/1166565390.db2.gz FRJMFHAQYQTQBG-UHFFFAOYSA-N -1 3 303.326 0.007 20 30 DCEDHM C=CCCN(C)S(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001588603799 1166567138 /nfs/dbraw/zinc/56/71/38/1166567138.db2.gz WEZMKUDNSXSPJJ-UHFFFAOYSA-N -1 3 308.367 0.767 20 30 DCEDHM C=CCCN(C)S(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001588603799 1166567145 /nfs/dbraw/zinc/56/71/45/1166567145.db2.gz WEZMKUDNSXSPJJ-UHFFFAOYSA-N -1 3 308.367 0.767 20 30 DCEDHM C=CCOCC(=O)NC[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001588675056 1166580071 /nfs/dbraw/zinc/58/00/71/1166580071.db2.gz XGTRQFCFIJAJJK-JTQLQIEISA-N -1 3 317.353 0.381 20 30 DCEDHM C=CCOCC(=O)NC[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001588675056 1166580076 /nfs/dbraw/zinc/58/00/76/1166580076.db2.gz XGTRQFCFIJAJJK-JTQLQIEISA-N -1 3 317.353 0.381 20 30 DCEDHM C=C[C@H](CO)N[C@@H]1CCN(c2sccc2-c2nnn[n-]2)C1=O ZINC001588727614 1166580646 /nfs/dbraw/zinc/58/06/46/1166580646.db2.gz FCLKWGVTAMFNHV-PSASIEDQSA-N -1 3 320.378 0.170 20 30 DCEDHM C=C[C@H](CO)N[C@@H]1CCN(c2sccc2-c2nn[n-]n2)C1=O ZINC001588727614 1166580653 /nfs/dbraw/zinc/58/06/53/1166580653.db2.gz FCLKWGVTAMFNHV-PSASIEDQSA-N -1 3 320.378 0.170 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001588728080 1166580670 /nfs/dbraw/zinc/58/06/70/1166580670.db2.gz MMEJDMWPXFRJQR-SCZZXKLOSA-N -1 3 320.740 0.988 20 30 DCEDHM C=CCONC(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588689539 1166583089 /nfs/dbraw/zinc/58/30/89/1166583089.db2.gz MPTQBBRYDOSLOY-UHFFFAOYSA-N -1 3 304.310 0.792 20 30 DCEDHM C=CCONC(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588689539 1166583097 /nfs/dbraw/zinc/58/30/97/1166583097.db2.gz MPTQBBRYDOSLOY-UHFFFAOYSA-N -1 3 304.310 0.792 20 30 DCEDHM CC#CCN(C)C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC001588746862 1166584499 /nfs/dbraw/zinc/58/44/99/1166584499.db2.gz ZBTFKJDKBFNRLI-UHFFFAOYSA-N -1 3 314.349 0.910 20 30 DCEDHM C[C@H](C#N)C(=O)N(C)CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588926834 1166616315 /nfs/dbraw/zinc/61/63/15/1166616315.db2.gz YOBDHCWGNSZUMI-SECBINFHSA-N -1 3 300.326 0.292 20 30 DCEDHM C[C@H](C#N)C(=O)N(C)CCNc1ccc(-c2nn[n-]n2)nc1 ZINC001588926834 1166616320 /nfs/dbraw/zinc/61/63/20/1166616320.db2.gz YOBDHCWGNSZUMI-SECBINFHSA-N -1 3 300.326 0.292 20 30 DCEDHM C[C@H](C#N)C(=O)NC[C@@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001589850016 1166699168 /nfs/dbraw/zinc/69/91/68/1166699168.db2.gz ZNCIBCSOHRQVIR-RKDXNWHRSA-N -1 3 300.326 0.338 20 30 DCEDHM C[C@H](C#N)C(=O)NC[C@@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001589850016 1166699172 /nfs/dbraw/zinc/69/91/72/1166699172.db2.gz ZNCIBCSOHRQVIR-RKDXNWHRSA-N -1 3 300.326 0.338 20 30 DCEDHM C[C@H]1C(=O)N(N=Cc2cc(-c3nnn[n-]3)cs2)C(=O)N1C ZINC001590164715 1166796396 /nfs/dbraw/zinc/79/63/96/1166796396.db2.gz HKGGGFFKPHFBOI-LURJTMIESA-N -1 3 305.323 0.545 20 30 DCEDHM C[C@H]1C(=O)N(N=Cc2cc(-c3nn[n-]n3)cs2)C(=O)N1C ZINC001590164715 1166796403 /nfs/dbraw/zinc/79/64/03/1166796403.db2.gz HKGGGFFKPHFBOI-LURJTMIESA-N -1 3 305.323 0.545 20 30 DCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H]1CNCC#N ZINC001590298098 1166844844 /nfs/dbraw/zinc/84/48/44/1166844844.db2.gz SGWFBKOVEZGRMM-NXEZZACHSA-N -1 3 314.353 0.016 20 30 DCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H]1CNCC#N ZINC001590298098 1166844854 /nfs/dbraw/zinc/84/48/54/1166844854.db2.gz SGWFBKOVEZGRMM-NXEZZACHSA-N -1 3 314.353 0.016 20 30 DCEDHM CC[C@H](C#N)N(C)S(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001590367558 1166890116 /nfs/dbraw/zinc/89/01/16/1166890116.db2.gz CPNHQHOTRUNONT-SNVBAGLBSA-N -1 3 306.351 0.789 20 30 DCEDHM CC[C@H](C#N)N(C)S(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001590367558 1166890121 /nfs/dbraw/zinc/89/01/21/1166890121.db2.gz CPNHQHOTRUNONT-SNVBAGLBSA-N -1 3 306.351 0.789 20 30 DCEDHM CC[C@@H](C#N)OC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590368000 1166890224 /nfs/dbraw/zinc/89/02/24/1166890224.db2.gz QWTVNMWWOBWCTH-NSHDSACASA-N -1 3 314.305 0.442 20 30 DCEDHM CC[C@@H](C#N)OC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590368000 1166890230 /nfs/dbraw/zinc/89/02/30/1166890230.db2.gz QWTVNMWWOBWCTH-NSHDSACASA-N -1 3 314.305 0.442 20 30 DCEDHM CCCC[C@@H](CNCC#N)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001590577886 1166945877 /nfs/dbraw/zinc/94/58/77/1166945877.db2.gz CSRWVYGQIQAXRI-NSHDSACASA-N -1 3 316.369 0.597 20 30 DCEDHM CCCC[C@@H](CNCC#N)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001590577886 1166945882 /nfs/dbraw/zinc/94/58/82/1166945882.db2.gz CSRWVYGQIQAXRI-NSHDSACASA-N -1 3 316.369 0.597 20 30 DCEDHM CN(C)c1cc(C(=O)N[C@H](C#N)C2CC2)cc(-c2nnn[n-]2)c1 ZINC001591026679 1167086921 /nfs/dbraw/zinc/08/69/21/1167086921.db2.gz VEVPSJOPHHQROY-CYBMUJFWSA-N -1 3 311.349 0.965 20 30 DCEDHM CN(C)c1cc(C(=O)N[C@H](C#N)C2CC2)cc(-c2nn[n-]n2)c1 ZINC001591026679 1167086927 /nfs/dbraw/zinc/08/69/27/1167086927.db2.gz VEVPSJOPHHQROY-CYBMUJFWSA-N -1 3 311.349 0.965 20 30 DCEDHM COC[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@@H](C)O1 ZINC001591395685 1167264189 /nfs/dbraw/zinc/26/41/89/1167264189.db2.gz HXUDSZTXZZUGEQ-PWSUYJOCSA-N -1 3 314.349 0.978 20 30 DCEDHM COC[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@@H](C)O1 ZINC001591395685 1167264196 /nfs/dbraw/zinc/26/41/96/1167264196.db2.gz HXUDSZTXZZUGEQ-PWSUYJOCSA-N -1 3 314.349 0.978 20 30 DCEDHM COCCCNN=C1c2ccc(-c3nnn[n-]3)cc2NC1=O ZINC001591415937 1167275824 /nfs/dbraw/zinc/27/58/24/1167275824.db2.gz DKOCRJWZDBHTLV-UHFFFAOYSA-N -1 3 301.310 0.149 20 30 DCEDHM COCCCNN=C1c2ccc(-c3nn[n-]n3)cc2NC1=O ZINC001591415937 1167275828 /nfs/dbraw/zinc/27/58/28/1167275828.db2.gz DKOCRJWZDBHTLV-UHFFFAOYSA-N -1 3 301.310 0.149 20 30 DCEDHM COCCN(C)C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591421242 1167279348 /nfs/dbraw/zinc/27/93/48/1167279348.db2.gz WTLOFVUSUOCLSV-ZDUSSCGKSA-N -1 3 314.349 0.654 20 30 DCEDHM COCc1nc(Cn2cnc(C#N)c2-c2nnn[n-]2)cs1 ZINC001591459084 1167294764 /nfs/dbraw/zinc/29/47/64/1167294764.db2.gz DFURDFXVNXTJNV-UHFFFAOYSA-N -1 3 302.323 0.586 20 30 DCEDHM Cc1cc(F)cc(-c2nnn[n-]2)c1S(=O)(=O)NC[C@@H](C)C#N ZINC001591990425 1167431124 /nfs/dbraw/zinc/43/11/24/1167431124.db2.gz ORTWZLLMUWELKB-ZETCQYMHSA-N -1 3 324.341 0.752 20 30 DCEDHM N#CC1(NC(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CCOCC1 ZINC001592671008 1167593841 /nfs/dbraw/zinc/59/38/41/1167593841.db2.gz AOTIAHSTFWBRFS-UHFFFAOYSA-N -1 3 316.296 0.808 20 30 DCEDHM N#CC1(NC(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCOCC1 ZINC001592671008 1167593846 /nfs/dbraw/zinc/59/38/46/1167593846.db2.gz AOTIAHSTFWBRFS-UHFFFAOYSA-N -1 3 316.296 0.808 20 30 DCEDHM N#C[C@]1(F)CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC001592670461 1167594491 /nfs/dbraw/zinc/59/44/91/1167594491.db2.gz BMTYPXVLIVRCLK-GFCCVEGCSA-N -1 3 322.325 0.493 20 30 DCEDHM N#C[C@]1(F)CCN(S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC001592670461 1167594497 /nfs/dbraw/zinc/59/44/97/1167594497.db2.gz BMTYPXVLIVRCLK-GFCCVEGCSA-N -1 3 322.325 0.493 20 30 DCEDHM N#C[C@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592671682 1167594814 /nfs/dbraw/zinc/59/48/14/1167594814.db2.gz MSZFUNWDKXDJJJ-NSHDSACASA-N -1 3 315.293 0.499 20 30 DCEDHM N#C[C@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592671682 1167594818 /nfs/dbraw/zinc/59/48/18/1167594818.db2.gz MSZFUNWDKXDJJJ-NSHDSACASA-N -1 3 315.293 0.499 20 30 DCEDHM N#CCC1(CNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592674355 1167596902 /nfs/dbraw/zinc/59/69/02/1167596902.db2.gz DBOPDZLSFMGAPS-LBPRGKRZSA-N -1 3 312.333 0.710 20 30 DCEDHM N#CCC1(CNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592674355 1167596907 /nfs/dbraw/zinc/59/69/07/1167596907.db2.gz DBOPDZLSFMGAPS-LBPRGKRZSA-N -1 3 312.333 0.710 20 30 DCEDHM N#CCCCNc1cccc(S(N)(=O)=O)c1-c1nnn[n-]1 ZINC001592676252 1167596930 /nfs/dbraw/zinc/59/69/30/1167596930.db2.gz IZJNEMZLESLETC-UHFFFAOYSA-N -1 3 307.339 0.230 20 30 DCEDHM N#CCCCNc1cccc(S(N)(=O)=O)c1-c1nn[n-]n1 ZINC001592676252 1167596934 /nfs/dbraw/zinc/59/69/34/1167596934.db2.gz IZJNEMZLESLETC-UHFFFAOYSA-N -1 3 307.339 0.230 20 30 DCEDHM N#CCN1CCN(C(=O)c2csc(-c3nnn[n-]3)c2)CC1 ZINC001592677898 1167598766 /nfs/dbraw/zinc/59/87/66/1167598766.db2.gz LFSHCFPROVWMGL-UHFFFAOYSA-N -1 3 303.351 0.210 20 30 DCEDHM N#Cc1ccc(F)c(C(=O)Nc2ccncc2-c2nnn[n-]2)c1 ZINC001592693644 1167601528 /nfs/dbraw/zinc/60/15/28/1167601528.db2.gz RZQBEELAWXYZKF-UHFFFAOYSA-N -1 3 309.264 0.947 20 30 DCEDHM N#Cc1ccc(F)c(C(=O)Nc2ccncc2-c2nn[n-]n2)c1 ZINC001592693644 1167601531 /nfs/dbraw/zinc/60/15/31/1167601531.db2.gz RZQBEELAWXYZKF-UHFFFAOYSA-N -1 3 309.264 0.947 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@H](O)[C@H]1CCCO1 ZINC001592699120 1167604096 /nfs/dbraw/zinc/60/40/96/1167604096.db2.gz PKFKZOVBHVJSEB-NWDGAFQWSA-N -1 3 300.322 0.690 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@H](O)[C@H]1CCCO1 ZINC001592699120 1167604100 /nfs/dbraw/zinc/60/41/00/1167604100.db2.gz PKFKZOVBHVJSEB-NWDGAFQWSA-N -1 3 300.322 0.690 20 30 DCEDHM N#Cc1nc(N)n(C[C@@H]2C[C@H]3CCC[C@H]3O2)c1-c1nnn[n-]1 ZINC001592706511 1167606955 /nfs/dbraw/zinc/60/69/55/1167606955.db2.gz VAXQIODXGFYTNX-KHQFGBGNSA-N -1 3 300.326 0.475 20 30 DCEDHM N#Cc1nc(N)n(C[C@@H]2C[C@H]3CCC[C@H]3O2)c1-c1nn[n-]n1 ZINC001592706511 1167606959 /nfs/dbraw/zinc/60/69/59/1167606959.db2.gz VAXQIODXGFYTNX-KHQFGBGNSA-N -1 3 300.326 0.475 20 30 DCEDHM N#Cc1ncc(N[C@H]2CCn3ccnc3C2)nc1-c1nn[n-]n1 ZINC001592709727 1167609007 /nfs/dbraw/zinc/60/90/07/1167609007.db2.gz AZVPEAPUVGBWSN-QMMMGPOBSA-N -1 3 308.309 0.152 20 30 DCEDHM O=C(NCC#CCO)NC1(c2cccc(-c3nnn[n-]3)c2)CC1 ZINC001593005803 1167687326 /nfs/dbraw/zinc/68/73/26/1167687326.db2.gz VHYSGCOOSAIGEZ-UHFFFAOYSA-N -1 3 312.333 0.151 20 30 DCEDHM O=C(NCC#CCO)NC1(c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001593005803 1167687330 /nfs/dbraw/zinc/68/73/30/1167687330.db2.gz VHYSGCOOSAIGEZ-UHFFFAOYSA-N -1 3 312.333 0.151 20 30 DCEDHM O=C(NO)C1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001593166194 1167729686 /nfs/dbraw/zinc/72/96/86/1167729686.db2.gz AKVJEIJOHZENQP-UHFFFAOYSA-N -1 3 306.301 0.728 20 30 DCEDHM N#CC1(C[C@@H](O)CN2CCC(C#N)(C(=O)[O-])CC2)CCOCC1 ZINC001601055092 1168578480 /nfs/dbraw/zinc/57/84/80/1168578480.db2.gz WXHSARIDLRMBMF-CYBMUJFWSA-N -1 3 321.377 0.748 20 30 DCEDHM C#CC(=O)N1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC001602680650 1169156977 /nfs/dbraw/zinc/15/69/77/1169156977.db2.gz MUKZLJGEKKGHCL-UHFFFAOYSA-N -1 3 300.297 0.288 20 30 DCEDHM C#CC(=O)N1CCN(c2ccc(F)cc2-c2nn[n-]n2)CC1 ZINC001602680650 1169156981 /nfs/dbraw/zinc/15/69/81/1169156981.db2.gz MUKZLJGEKKGHCL-UHFFFAOYSA-N -1 3 300.297 0.288 20 30 DCEDHM C#C[C@H]1COCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001602696175 1169162380 /nfs/dbraw/zinc/16/23/80/1169162380.db2.gz DHKKARZSGBIAGH-ZDUSSCGKSA-N -1 3 312.333 0.139 20 30 DCEDHM C#C[C@H]1COCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001602696175 1169162385 /nfs/dbraw/zinc/16/23/85/1169162385.db2.gz DHKKARZSGBIAGH-ZDUSSCGKSA-N -1 3 312.333 0.139 20 30 DCEDHM C#CCCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001602711389 1169166235 /nfs/dbraw/zinc/16/62/35/1169166235.db2.gz RYJGPYPRORUTBQ-UHFFFAOYSA-N -1 3 322.346 0.997 20 30 DCEDHM C#CCCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001602711389 1169166238 /nfs/dbraw/zinc/16/62/38/1169166238.db2.gz RYJGPYPRORUTBQ-UHFFFAOYSA-N -1 3 322.346 0.997 20 30 DCEDHM C=C(C)CNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC001602762696 1169181543 /nfs/dbraw/zinc/18/15/43/1169181543.db2.gz DQOHOLXBYTVCOK-UHFFFAOYSA-N -1 3 316.321 0.506 20 30 DCEDHM C=C(C)CNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC001602762696 1169181549 /nfs/dbraw/zinc/18/15/49/1169181549.db2.gz DQOHOLXBYTVCOK-UHFFFAOYSA-N -1 3 316.321 0.506 20 30 DCEDHM C=C[C@H](NCc1cn(CC(F)(F)F)c(=O)[nH]c1=O)C(=O)[O-] ZINC001602818490 1169188862 /nfs/dbraw/zinc/18/88/62/1169188862.db2.gz ACUQGCHALOLLKT-ZETCQYMHSA-N -1 3 307.228 0.240 20 30 DCEDHM C=CCN1CC[C@@H](N2CCC3(CC(C(=O)[O-])=NO3)CC2)C1=O ZINC001602897581 1169200512 /nfs/dbraw/zinc/20/05/12/1169200512.db2.gz BAPVMZBQHZZAIU-GFCCVEGCSA-N -1 3 307.350 0.469 20 30 DCEDHM CC#CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C)c1 ZINC001602894197 1169200529 /nfs/dbraw/zinc/20/05/29/1169200529.db2.gz SAQMFWLPSVBLKC-UHFFFAOYSA-N -1 3 305.363 0.867 20 30 DCEDHM CC#CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C)c1 ZINC001602894197 1169200535 /nfs/dbraw/zinc/20/05/35/1169200535.db2.gz SAQMFWLPSVBLKC-UHFFFAOYSA-N -1 3 305.363 0.867 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)Nc1cc(C)c(-c2nnn[n-]2)cn1 ZINC001602889532 1169201027 /nfs/dbraw/zinc/20/10/27/1169201027.db2.gz JUQAOXMWPVTPOA-JTQLQIEISA-N -1 3 315.337 0.466 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)Nc1cc(C)c(-c2nn[n-]n2)cn1 ZINC001602889532 1169201031 /nfs/dbraw/zinc/20/10/31/1169201031.db2.gz JUQAOXMWPVTPOA-JTQLQIEISA-N -1 3 315.337 0.466 20 30 DCEDHM CC(C)(C)C#CC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC001603051505 1169240097 /nfs/dbraw/zinc/24/00/97/1169240097.db2.gz NESMPFALSPRILX-UHFFFAOYSA-N -1 3 313.365 0.839 20 30 DCEDHM CC(C)(C)C#CC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC001603051505 1169240105 /nfs/dbraw/zinc/24/01/05/1169240105.db2.gz NESMPFALSPRILX-UHFFFAOYSA-N -1 3 313.365 0.839 20 30 DCEDHM CC(C)(C(=O)[O-])N1CCN(C(=O)CC2(C#N)CCOCC2)CC1 ZINC001603260247 1169284532 /nfs/dbraw/zinc/28/45/32/1169284532.db2.gz WNVOUUCIMGQSLN-UHFFFAOYSA-N -1 3 323.393 0.704 20 30 DCEDHM COCC[C@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001605075120 1169811096 /nfs/dbraw/zinc/81/10/96/1169811096.db2.gz UUFUXRCLYMVFHF-CYBMUJFWSA-N -1 3 301.310 0.310 20 30 DCEDHM COCC[C@](C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001605075120 1169811103 /nfs/dbraw/zinc/81/11/03/1169811103.db2.gz UUFUXRCLYMVFHF-CYBMUJFWSA-N -1 3 301.310 0.310 20 30 DCEDHM COC[C@H](C)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001605129735 1169836680 /nfs/dbraw/zinc/83/66/80/1169836680.db2.gz UEGPUHIPPFFOSZ-GXFFZTMASA-N -1 3 314.349 0.700 20 30 DCEDHM Cc1ccc(-c2nnn[n-]2)cc1C(=O)N[C@@](C)(C#N)CN(C)C ZINC001605791136 1170002678 /nfs/dbraw/zinc/00/26/78/1170002678.db2.gz PKSRZKVYHKXKCS-HNNXBMFYSA-N -1 3 313.365 0.749 20 30 DCEDHM Cc1ccc(-c2nn[n-]n2)cc1C(=O)N[C@@](C)(C#N)CN(C)C ZINC001605791136 1170002682 /nfs/dbraw/zinc/00/26/82/1170002682.db2.gz PKSRZKVYHKXKCS-HNNXBMFYSA-N -1 3 313.365 0.749 20 30 DCEDHM N#CC[C@]1(O)CCN(c2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC001606345577 1170165721 /nfs/dbraw/zinc/16/57/21/1170165721.db2.gz FSKKVGACCUOUTB-LBPRGKRZSA-N -1 3 316.281 0.025 20 30 DCEDHM N#CC[C@]1(O)CCN(c2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)C1 ZINC001606345577 1170165724 /nfs/dbraw/zinc/16/57/24/1170165724.db2.gz FSKKVGACCUOUTB-LBPRGKRZSA-N -1 3 316.281 0.025 20 30 DCEDHM N#C[C@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001606345824 1170165757 /nfs/dbraw/zinc/16/57/57/1170165757.db2.gz QCDMZKNMIDLGRL-ZWNOBZJWSA-N -1 3 311.349 0.629 20 30 DCEDHM N#C[C@H]1CCCN([C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001606345824 1170165759 /nfs/dbraw/zinc/16/57/59/1170165759.db2.gz QCDMZKNMIDLGRL-ZWNOBZJWSA-N -1 3 311.349 0.629 20 30 DCEDHM N#C[C@@H]1COCCN1Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001606345764 1170165773 /nfs/dbraw/zinc/16/57/73/1170165773.db2.gz PAMJNYVSAZCHTB-SECBINFHSA-N -1 3 315.293 0.499 20 30 DCEDHM N#C[C@@H]1COCCN1Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001606345764 1170165776 /nfs/dbraw/zinc/16/57/76/1170165776.db2.gz PAMJNYVSAZCHTB-SECBINFHSA-N -1 3 315.293 0.499 20 30 DCEDHM N#Cc1ncn(CC(=O)NC2CCCCC2)c1-c1nnn[n-]1 ZINC001606398600 1170184749 /nfs/dbraw/zinc/18/47/49/1170184749.db2.gz NKUNBUYPPIPXAH-UHFFFAOYSA-N -1 3 300.326 0.384 20 30 DCEDHM C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC001609019384 1170785489 /nfs/dbraw/zinc/78/54/89/1170785489.db2.gz SLVKPFRUIDJZHZ-SSDOTTSWSA-N -1 3 302.269 0.082 20 30 DCEDHM C#C[C@@H](C)NC(=O)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC001609019384 1170785490 /nfs/dbraw/zinc/78/54/90/1170785490.db2.gz SLVKPFRUIDJZHZ-SSDOTTSWSA-N -1 3 302.269 0.082 20 30 DCEDHM C#CCC[C@@H](O)CNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001609019725 1170786063 /nfs/dbraw/zinc/78/60/63/1170786063.db2.gz DPCRJECKHHIDEM-CYBMUJFWSA-N -1 3 314.349 0.440 20 30 DCEDHM C#CCC[C@@H](O)CNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001609019725 1170786070 /nfs/dbraw/zinc/78/60/70/1170786070.db2.gz DPCRJECKHHIDEM-CYBMUJFWSA-N -1 3 314.349 0.440 20 30 DCEDHM C#CCO[C@@H](C)C(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001609021345 1170786545 /nfs/dbraw/zinc/78/65/45/1170786545.db2.gz UEEISDMCLJKUHR-JTQLQIEISA-N -1 3 315.333 0.530 20 30 DCEDHM C#CCO[C@@H](C)C(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001609021345 1170786547 /nfs/dbraw/zinc/78/65/47/1170786547.db2.gz UEEISDMCLJKUHR-JTQLQIEISA-N -1 3 315.333 0.530 20 30 DCEDHM C#CCOCCC(=O)NCc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001609021501 1170786774 /nfs/dbraw/zinc/78/67/74/1170786774.db2.gz DCKQKOMIHIBMGF-UHFFFAOYSA-N -1 3 315.333 0.531 20 30 DCEDHM C#CCOCCC(=O)NCc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001609021501 1170786783 /nfs/dbraw/zinc/78/67/83/1170786783.db2.gz DCKQKOMIHIBMGF-UHFFFAOYSA-N -1 3 315.333 0.531 20 30 DCEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001609050759 1170793947 /nfs/dbraw/zinc/79/39/47/1170793947.db2.gz AGCHTJDFGITEHH-BXKDBHETSA-N -1 3 302.338 0.906 20 30 DCEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001609050759 1170793952 /nfs/dbraw/zinc/79/39/52/1170793952.db2.gz AGCHTJDFGITEHH-BXKDBHETSA-N -1 3 302.338 0.906 20 30 DCEDHM CC(C)(C#N)CNc1cccc(S(N)(=O)=O)c1-c1nnn[n-]1 ZINC001609072783 1170799959 /nfs/dbraw/zinc/79/99/59/1170799959.db2.gz GFGBDRZGVKLOKN-UHFFFAOYSA-N -1 3 321.366 0.476 20 30 DCEDHM CC(C)(C#N)CNc1cccc(S(N)(=O)=O)c1-c1nn[n-]n1 ZINC001609072783 1170799964 /nfs/dbraw/zinc/79/99/64/1170799964.db2.gz GFGBDRZGVKLOKN-UHFFFAOYSA-N -1 3 321.366 0.476 20 30 DCEDHM C[C@H](CC#N)N(C)C(=O)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001609108643 1170812665 /nfs/dbraw/zinc/81/26/65/1170812665.db2.gz SKYOPLCFEMBZCW-SSDOTTSWSA-N -1 3 319.350 0.627 20 30 DCEDHM C[C@H](CC#N)N(C)C(=O)C(=O)Nc1sccc1-c1nn[n-]n1 ZINC001609108643 1170812670 /nfs/dbraw/zinc/81/26/70/1170812670.db2.gz SKYOPLCFEMBZCW-SSDOTTSWSA-N -1 3 319.350 0.627 20 30 DCEDHM C[C@H](Oc1ccccc1C#N)C(=O)n1ncc(-c2nnn[n-]2)c1N ZINC001609136201 1170821747 /nfs/dbraw/zinc/82/17/47/1170821747.db2.gz JMPATYUNDMFLFU-QMMMGPOBSA-N -1 3 324.304 0.625 20 30 DCEDHM N#Cc1ccc([C@@H](O)C(=O)NCc2cc(=O)[n-]c(=S)[nH]2)cc1 ZINC001628259019 1171522868 /nfs/dbraw/zinc/52/28/68/1171522868.db2.gz NAYYLPARRQNHDG-GFCCVEGCSA-N -1 3 316.342 0.692 20 30 DCEDHM CCOC(=O)Nc1ccc(C(=O)N[C@H]2CCN([O-])C2=O)cc1 ZINC001636352518 1171733072 /nfs/dbraw/zinc/73/30/72/1171733072.db2.gz IXJNVBHGBCRGOG-NSHDSACASA-N -1 3 307.306 0.975 20 30 DCEDHM C=CCn1cc(CNC(=O)c2cc3c(cc2[O-])OCO3)nn1 ZINC001638491716 1171799003 /nfs/dbraw/zinc/79/90/03/1171799003.db2.gz KVRSLCTVNQQFHK-UHFFFAOYSA-N -1 3 302.290 0.828 20 30 DCEDHM Cc1nn(C)c2nc(C)c(C(=O)N[C@@H]3CCN([O-])C3=O)cc12 ZINC001641378834 1171913433 /nfs/dbraw/zinc/91/34/33/1171913433.db2.gz HIVQFOLIVSQJQD-LLVKDONJSA-N -1 3 303.322 0.305 20 30 DCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H]1CC(c2ccccn2)=NO1 ZINC001641521450 1171919754 /nfs/dbraw/zinc/91/97/54/1171919754.db2.gz PFJLEIXGDXUNGQ-ZYHUDNBSSA-N -1 3 304.306 0.071 20 30 DCEDHM Cc1nn(CC(=O)N[C@H]2CCCN([O-])C2=O)c2ncccc12 ZINC001641524817 1171919768 /nfs/dbraw/zinc/91/97/68/1171919768.db2.gz QQSRSVFDCSHGLI-NSHDSACASA-N -1 3 303.322 0.236 20 30 DCEDHM 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317.305 0.303 20 30 DCEDHM C[C@@H](CC#N)N(C)C(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000264064483 533392438 /nfs/dbraw/zinc/39/24/38/533392438.db2.gz MOOGCWSYVZLLAH-VIFPVBQESA-N -1 3 301.393 0.787 20 30 DCEDHM C[C@H](CC#N)[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000177578621 533616936 /nfs/dbraw/zinc/61/69/36/533616936.db2.gz PJOWRASJBSOSOR-MRVPVSSYSA-N -1 3 320.367 0.810 20 30 DCEDHM CN1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1=O ZINC000274629207 395963153 /nfs/dbraw/zinc/96/31/53/395963153.db2.gz BOXZEJKSZFLEHI-SECBINFHSA-N -1 3 313.766 0.721 20 30 DCEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)C(=O)NCCF ZINC000282240283 396274809 /nfs/dbraw/zinc/27/48/09/396274809.db2.gz IKIYWINYFCSCSO-MRVPVSSYSA-N -1 3 317.317 0.450 20 30 DCEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCOCCO)c1 ZINC000185723606 396333611 /nfs/dbraw/zinc/33/36/11/396333611.db2.gz NQERVVDTYWTUSP-UHFFFAOYSA-N -1 3 318.782 0.889 20 30 DCEDHM CN(C)[C@@]1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCSC1 ZINC000288091717 396441240 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416565588 /nfs/dbraw/zinc/56/55/88/416565588.db2.gz NWYIEIDEIZLGSL-JTQLQIEISA-N -1 3 316.317 0.023 20 30 DCEDHM C#CCN(C)C(=O)NCc1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000491737720 416619889 /nfs/dbraw/zinc/61/98/89/416619889.db2.gz QSGFIVOQJKMRQW-INIZCTEOSA-N -1 3 314.345 0.516 20 30 DCEDHM N#Cc1c(N)n[nH]c1CCCNC(=O)N=c1cc2ccccn2[n-]1 ZINC000548766250 416690915 /nfs/dbraw/zinc/69/09/15/416690915.db2.gz QQFILXYQEAEOIL-UHFFFAOYSA-N -1 3 324.348 0.687 20 30 DCEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncn(C)n1 ZINC000557128774 416726703 /nfs/dbraw/zinc/72/67/03/416726703.db2.gz MMYFFPPVYFPAMA-UHFFFAOYSA-N -1 3 300.322 0.976 20 30 DCEDHM N#Cc1cc([O-])cc(C(=O)NCCCN2CCC(O)CC2)c1 ZINC000615111177 416759248 /nfs/dbraw/zinc/75/92/48/416759248.db2.gz ANBUNCGQTUMBLD-UHFFFAOYSA-N -1 3 303.362 0.840 20 30 DCEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCn1ncnn1 ZINC000443496845 416762574 /nfs/dbraw/zinc/76/25/74/416762574.db2.gz DXAXDDPDORBUFI-UHFFFAOYSA-N -1 3 312.742 0.177 20 30 DCEDHM N#Cc1c(F)cccc1C(=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000427257469 416811660 /nfs/dbraw/zinc/81/16/60/416811660.db2.gz RJXCTUPBLWQKLP-NSHDSACASA-N -1 3 302.265 0.074 20 30 DCEDHM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428394367 416894575 /nfs/dbraw/zinc/89/45/75/416894575.db2.gz ULLZBEYUWMVUBI-SSDOTTSWSA-N -1 3 319.289 0.428 20 30 DCEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F ZINC000428372158 416890198 /nfs/dbraw/zinc/89/01/98/416890198.db2.gz ZZXLDIRRJNZROI-ZETCQYMHSA-N -1 3 309.269 0.545 20 30 DCEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](CCO)c1ccco1 ZINC000428395718 416893875 /nfs/dbraw/zinc/89/38/75/416893875.db2.gz CKEALGAYFYRUNZ-JTQLQIEISA-N -1 3 307.331 0.948 20 30 DCEDHM C=CCn1cc(C[N-]S(=O)(=O)C[C@]2(C)CC2(F)F)nn1 ZINC000641542300 416914970 /nfs/dbraw/zinc/91/49/70/416914970.db2.gz CIBRCGDLRUHHHP-JTQLQIEISA-N -1 3 306.338 0.929 20 30 DCEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](CO)[C@H]1CCCO1 ZINC000447926589 417046115 /nfs/dbraw/zinc/04/61/15/417046115.db2.gz 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20 30 DCEDHM O=C1NCCCN1N=Cc1c(F)cc(-c2nn[n-]n2)cc1F ZINC001609590485 1171033903 /nfs/dbraw/zinc/03/39/03/1171033903.db2.gz YHSSWAJBRYRDCH-UHFFFAOYSA-N -1 3 307.264 0.894 20 30 DCEDHM N#CCCC[C@@H](N)C(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC001610621955 1171271449 /nfs/dbraw/zinc/27/14/49/1171271449.db2.gz WSYCKZIERYWNQZ-GFCCVEGCSA-N -1 3 318.333 0.461 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC001624906372 1171461976 /nfs/dbraw/zinc/46/19/76/1171461976.db2.gz HTWZXPVRHMARFY-SECBINFHSA-N -1 3 304.262 0.796 20 30 DCEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc2c(c1)nc[nH]c2=O ZINC001628548423 1171530915 /nfs/dbraw/zinc/53/09/15/1171530915.db2.gz YGYJHDGILNDXPY-SNVBAGLBSA-N -1 3 302.290 0.445 20 30 DCEDHM O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CCN([O-])C1=O ZINC001636352047 1171733775 /nfs/dbraw/zinc/73/37/75/1171733775.db2.gz BKDZMFVYDLHUSQ-SNVBAGLBSA-N -1 3 311.269 0.773 20 30 DCEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cnnn1-c1ccccc1Cl ZINC001637458697 1171766994 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C=CCN1CCN(CCN(C)C(=O)c2ncccc2[O-])CC1 ZINC001714889050 1181587000 /nfs/dbraw/zinc/58/70/00/1181587000.db2.gz UOQFJYDZALLJQO-UHFFFAOYSA-N -1 3 304.394 0.663 20 30 DCEDHM C=CCOCC(=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)[C@@H](C)C1 ZINC001715407513 1181803894 /nfs/dbraw/zinc/80/38/94/1181803894.db2.gz KGZWVPVFFJZGCT-WDEREUQCSA-N -1 3 309.370 0.040 20 30 DCEDHM C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)NCc1nc(=O)n(C)[n-]1 ZINC001717742520 1182975968 /nfs/dbraw/zinc/97/59/68/1182975968.db2.gz NFQIVGVJDGCWEX-XHDPSFHLSA-N -1 3 309.414 0.647 20 30 DCEDHM C#CCCCCC(=O)N1CC[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001717790849 1183003465 /nfs/dbraw/zinc/00/34/65/1183003465.db2.gz ONEFXWIJAYOIED-QWHCGFSZSA-N -1 3 319.409 0.381 20 30 DCEDHM C=CCCCC(=O)N[C@H](CO)CNC(=O)c1c(C)nc[n-]c1=O ZINC001718638920 1183301284 /nfs/dbraw/zinc/30/12/84/1183301284.db2.gz QEBYSHLEOUUNOV-NSHDSACASA-N -1 3 322.365 0.054 20 30 DCEDHM C#CCCCCC(=O)N1CC[C@@H](NC(=O)c2cn[n-]n2)[C@H]1C ZINC001718658039 1183311412 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C=C(C)C(C)(C)C(=O)N(C)C1CC(NCc2nc(=O)n(C)[n-]2)C1 ZINC001734597773 1186698920 /nfs/dbraw/zinc/69/89/20/1186698920.db2.gz HXSPGZBIVURDFP-UHFFFAOYSA-N -1 3 321.425 0.790 20 30 DCEDHM C=CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1[O-] ZINC001737520027 1187350825 /nfs/dbraw/zinc/35/08/25/1187350825.db2.gz DNUHEZUTGFTWAP-VIKVFOODSA-N -1 3 316.357 0.781 20 30 DCEDHM C=CCC1(C(=O)NCC=CCNC(=O)c2cn[n-]n2)CCC1 ZINC001738540892 1187588650 /nfs/dbraw/zinc/58/86/50/1187588650.db2.gz JOTHRTSPRHWYOL-ARJAWSKDSA-N -1 3 303.366 0.953 20 30 DCEDHM C#CCCCC(=O)NC[C@H](CO)NC(=O)c1ccccc1[O-] ZINC001738878525 1187682572 /nfs/dbraw/zinc/68/25/72/1187682572.db2.gz RMPYHBJDNYOFEG-GFCCVEGCSA-N -1 3 304.346 0.403 20 30 DCEDHM C#CCCCCC(=O)N1C[C@H](NC(=O)c2cn[n-]n2)C[C@H]1C ZINC001738951261 1187709493 /nfs/dbraw/zinc/70/94/93/1187709493.db2.gz ISJDICBQQVKEJD-VXGBXAGGSA-N -1 3 303.366 0.718 20 30 DCEDHM C#CCCCC(=O)NCCNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001742365144 1187966733 /nfs/dbraw/zinc/96/67/33/1187966733.db2.gz 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C=C(C)CNC(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC001588431321 1166555968 /nfs/dbraw/zinc/55/59/68/1166555968.db2.gz ZDMHJMMVVJQGKR-UHFFFAOYSA-N -1 3 300.322 0.806 20 30 DCEDHM C=C[C@H](COC)NS(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1 ZINC001588525471 1166561163 /nfs/dbraw/zinc/56/11/63/1166561163.db2.gz HQBSRKWZTKDFEA-SNVBAGLBSA-N -1 3 323.378 0.654 20 30 DCEDHM C=C[C@H](COC)NS(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1 ZINC001588525471 1166561164 /nfs/dbraw/zinc/56/11/64/1166561164.db2.gz HQBSRKWZTKDFEA-SNVBAGLBSA-N -1 3 323.378 0.654 20 30 DCEDHM C=CCCCS(=O)(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001588603279 1166568407 /nfs/dbraw/zinc/56/84/07/1166568407.db2.gz KDKHHBVPHYYZCG-UHFFFAOYSA-N -1 3 308.367 0.647 20 30 DCEDHM C=CCCCS(=O)(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001588603279 1166568414 /nfs/dbraw/zinc/56/84/14/1166568414.db2.gz KDKHHBVPHYYZCG-UHFFFAOYSA-N -1 3 308.367 0.647 20 30 DCEDHM C=CCNC(=O)C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001588657688 1166574475 /nfs/dbraw/zinc/57/44/75/1166574475.db2.gz SUFOIWJUGWHYRY-UHFFFAOYSA-N -1 3 312.333 0.985 20 30 DCEDHM C=CCNC(=O)C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001588657688 1166574483 /nfs/dbraw/zinc/57/44/83/1166574483.db2.gz SUFOIWJUGWHYRY-UHFFFAOYSA-N -1 3 312.333 0.985 20 30 DCEDHM C=CCn1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1 ZINC001588713744 1166581116 /nfs/dbraw/zinc/58/11/16/1166581116.db2.gz ROVHRJHJKJCKMA-UHFFFAOYSA-N -1 3 321.304 0.768 20 30 DCEDHM C=CCn1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1 ZINC001588713744 1166581123 /nfs/dbraw/zinc/58/11/23/1166581123.db2.gz ROVHRJHJKJCKMA-UHFFFAOYSA-N -1 3 321.304 0.768 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)Nc1cc(-c2nnn[n-]2)ccc1F ZINC001588738056 1166583724 /nfs/dbraw/zinc/58/37/24/1166583724.db2.gz KFTZVYFUQYPBBW-JTQLQIEISA-N -1 3 318.312 0.902 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588738056 1166583730 /nfs/dbraw/zinc/58/37/30/1166583730.db2.gz KFTZVYFUQYPBBW-JTQLQIEISA-N -1 3 318.312 0.902 20 30 DCEDHM CC#CCN(C)CCS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588747328 1166584999 /nfs/dbraw/zinc/58/49/99/1166584999.db2.gz ARAAPSPMUFEXHP-UHFFFAOYSA-N -1 3 319.390 0.596 20 30 DCEDHM CC#CCN(C)CCS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588747328 1166585007 /nfs/dbraw/zinc/58/50/07/1166585007.db2.gz ARAAPSPMUFEXHP-UHFFFAOYSA-N -1 3 319.390 0.596 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588737836 1166585023 /nfs/dbraw/zinc/58/50/23/1166585023.db2.gz JCFIZPWCKFZZQV-JTQLQIEISA-N -1 3 300.322 0.074 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588737836 1166585027 /nfs/dbraw/zinc/58/50/27/1166585027.db2.gz JCFIZPWCKFZZQV-JTQLQIEISA-N -1 3 300.322 0.074 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588928606 1166619178 /nfs/dbraw/zinc/61/91/78/1166619178.db2.gz PFLYOASOSDBXBZ-ZJUUUORDSA-N -1 3 312.337 0.116 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588928606 1166619179 /nfs/dbraw/zinc/61/91/79/1166619179.db2.gz PFLYOASOSDBXBZ-ZJUUUORDSA-N -1 3 312.337 0.116 20 30 DCEDHM C[C@H](C#N)CN(C)S(=O)(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC001588930922 1166619845 /nfs/dbraw/zinc/61/98/45/1166619845.db2.gz NIKYFSOCGKSRCO-SNVBAGLBSA-N -1 3 320.378 0.788 20 30 DCEDHM C[C@H](C#N)CN(C)S(=O)(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC001588930922 1166619848 /nfs/dbraw/zinc/61/98/48/1166619848.db2.gz NIKYFSOCGKSRCO-SNVBAGLBSA-N -1 3 320.378 0.788 20 30 DCEDHM CC(C)N(CCC#N)S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589682191 1166673457 /nfs/dbraw/zinc/67/34/57/1166673457.db2.gz JCZGKCGBKMTOCG-UHFFFAOYSA-N -1 3 321.366 0.574 20 30 DCEDHM CC(C)N(CCC#N)S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589682191 1166673463 /nfs/dbraw/zinc/67/34/63/1166673463.db2.gz JCZGKCGBKMTOCG-UHFFFAOYSA-N -1 3 321.366 0.574 20 30 DCEDHM C[C@H](CC#N)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001589788112 1166688872 /nfs/dbraw/zinc/68/88/72/1166688872.db2.gz SXXMWJXLUDILRO-LDYMZIIASA-N -1 3 314.305 0.486 20 30 DCEDHM C[C@H](CC#N)C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001589788112 1166688875 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0.301 20 30 DCEDHM C[C@H]1CC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CN1CC#N ZINC001590234927 1166825057 /nfs/dbraw/zinc/82/50/57/1166825057.db2.gz AKQBIMKRTWMFND-UWVGGRQHSA-N -1 3 314.353 0.301 20 30 DCEDHM C[C@H]1OCC[C@]1(O)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590333106 1166871807 /nfs/dbraw/zinc/87/18/07/1166871807.db2.gz CDCQUVXOSQMHAH-OTYXRUKQSA-N -1 3 300.322 0.690 20 30 DCEDHM C[C@H]1OCC[C@]1(O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590333106 1166871814 /nfs/dbraw/zinc/87/18/14/1166871814.db2.gz CDCQUVXOSQMHAH-OTYXRUKQSA-N -1 3 300.322 0.690 20 30 DCEDHM CCN(CCO)C(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001590714582 1166979588 /nfs/dbraw/zinc/97/95/88/1166979588.db2.gz MTVDIZUFMWTHHH-ZDUSSCGKSA-N -1 3 314.349 0.390 20 30 DCEDHM CN(C[C@H](O)c1cccc(C#N)c1)c1c(-c2nnn[n-]2)cnn1C ZINC001591052543 1167095522 /nfs/dbraw/zinc/09/55/22/1167095522.db2.gz DFMSUGHDUDBTNT-ZDUSSCGKSA-N -1 3 324.348 0.642 20 30 DCEDHM CN(C[C@H](O)c1cccc(C#N)c1)c1c(-c2nn[n-]n2)cnn1C ZINC001591052543 1167095523 /nfs/dbraw/zinc/09/55/23/1167095523.db2.gz DFMSUGHDUDBTNT-ZDUSSCGKSA-N -1 3 324.348 0.642 20 30 DCEDHM COC(=O)CN(CC#N)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001591266988 1167189583 /nfs/dbraw/zinc/18/95/83/1167189583.db2.gz CAKITOBJDKOOSY-UHFFFAOYSA-N -1 3 314.349 0.982 20 30 DCEDHM COC(=O)CN(CC#N)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001591266988 1167189586 /nfs/dbraw/zinc/18/95/86/1167189586.db2.gz CAKITOBJDKOOSY-UHFFFAOYSA-N -1 3 314.349 0.982 20 30 DCEDHM COCC#CC(=O)Nc1cnn(-c2ncccc2-c2nnn[n-]2)c1 ZINC001591362993 1167235803 /nfs/dbraw/zinc/23/58/03/1167235803.db2.gz YOWNGMLJUONLMN-UHFFFAOYSA-N -1 3 324.304 0.036 20 30 DCEDHM COCC#CC(=O)Nc1cnn(-c2ncccc2-c2nn[n-]n2)c1 ZINC001591362993 1167235806 /nfs/dbraw/zinc/23/58/06/1167235806.db2.gz YOWNGMLJUONLMN-UHFFFAOYSA-N -1 3 324.304 0.036 20 30 DCEDHM COCC(=O)CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001591363857 1167239710 /nfs/dbraw/zinc/23/97/10/1167239710.db2.gz ITBRUXMBCYLVMM-UHFFFAOYSA-N -1 3 305.323 0.023 20 30 DCEDHM COCC(=O)CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001591363857 1167239718 /nfs/dbraw/zinc/23/97/18/1167239718.db2.gz ITBRUXMBCYLVMM-UHFFFAOYSA-N -1 3 305.323 0.023 20 30 DCEDHM Cc1c(C#N)c(NC(=O)c2ccc(-c3nnn[n-]3)n2C)nn1C ZINC001591800061 1167382905 /nfs/dbraw/zinc/38/29/05/1167382905.db2.gz UBVSLSKUWWRIKZ-UHFFFAOYSA-N -1 3 311.309 0.371 20 30 DCEDHM Cc1c(C#N)c(NC(=O)c2ccc(-c3nn[n-]n3)n2C)nn1C ZINC001591800061 1167382907 /nfs/dbraw/zinc/38/29/07/1167382907.db2.gz UBVSLSKUWWRIKZ-UHFFFAOYSA-N -1 3 311.309 0.371 20 30 DCEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1CC(=O)N[C@H](C#N)CO ZINC001591841793 1167393384 /nfs/dbraw/zinc/39/33/84/1167393384.db2.gz DTOIIRPSRUBQSD-LLVKDONJSA-N -1 3 300.322 0.027 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1CC(=O)N[C@H](C#N)CO ZINC001591841793 1167393390 /nfs/dbraw/zinc/39/33/90/1167393390.db2.gz DTOIIRPSRUBQSD-LLVKDONJSA-N -1 3 300.322 0.027 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)C1CCOCC1 ZINC001592341002 1167494828 /nfs/dbraw/zinc/49/48/28/1167494828.db2.gz NIZXKDZNWLSMFZ-UHFFFAOYSA-N -1 3 301.310 0.239 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)C1CCOCC1 ZINC001592341002 1167494832 /nfs/dbraw/zinc/49/48/32/1167494832.db2.gz NIZXKDZNWLSMFZ-UHFFFAOYSA-N -1 3 301.310 0.239 20 30 DCEDHM Cc1nc(N2C[C@@H](C)N(CC#N)[C@@H](C)C2)ccc1-c1nnn[n-]1 ZINC001592367417 1167506287 /nfs/dbraw/zinc/50/62/87/1167506287.db2.gz PACKMPSCGMQTEM-PHIMTYICSA-N -1 3 312.381 0.993 20 30 DCEDHM Cc1nc(N2C[C@@H](C)N(CC#N)[C@@H](C)C2)ccc1-c1nn[n-]n1 ZINC001592367417 1167506293 /nfs/dbraw/zinc/50/62/93/1167506293.db2.gz PACKMPSCGMQTEM-PHIMTYICSA-N -1 3 312.381 0.993 20 30 DCEDHM Cc1oc(NC(=O)CN[C@H](C)CC#N)c(-c2nnn[n-]2)c1C ZINC001592511057 1167544324 /nfs/dbraw/zinc/54/43/24/1167544324.db2.gz IRFCZZBJQQMXAT-SSDOTTSWSA-N -1 3 303.326 0.907 20 30 DCEDHM Cn1c(C(=O)NCC#Cc2ccccc2)ccc1-c1nnn[n-]1 ZINC001592548133 1167553030 /nfs/dbraw/zinc/55/30/30/1167553030.db2.gz UBTOIDBODPAHMA-UHFFFAOYSA-N -1 3 306.329 0.987 20 30 DCEDHM Cn1c(C(=O)NCC#Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC001592548133 1167553035 /nfs/dbraw/zinc/55/30/35/1167553035.db2.gz UBTOIDBODPAHMA-UHFFFAOYSA-N -1 3 306.329 0.987 20 30 DCEDHM N#C[C@@H]1COCCN1Cc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001592671681 1167594207 /nfs/dbraw/zinc/59/42/07/1167594207.db2.gz MSZFUNWDKXDJJJ-LLVKDONJSA-N -1 3 315.293 0.499 20 30 DCEDHM N#C[C@@H]1COCCN1Cc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001592671681 1167594212 /nfs/dbraw/zinc/59/42/12/1167594212.db2.gz MSZFUNWDKXDJJJ-LLVKDONJSA-N -1 3 315.293 0.499 20 30 DCEDHM N#CC1CN(C(=O)C(F)(F)c2ccccc2-c2nnn[n-]2)C1 ZINC001592673127 1167596728 /nfs/dbraw/zinc/59/67/28/1167596728.db2.gz VAGDXEUOYTZUEU-UHFFFAOYSA-N -1 3 304.260 0.940 20 30 DCEDHM N#CC1CN(C(=O)C(F)(F)c2ccccc2-c2nn[n-]n2)C1 ZINC001592673127 1167596730 /nfs/dbraw/zinc/59/67/30/1167596730.db2.gz VAGDXEUOYTZUEU-UHFFFAOYSA-N -1 3 304.260 0.940 20 30 DCEDHM N#CC[C@@]1(O)CCN(c2nc3ccccn3c2-c2nnn[n-]2)C1 ZINC001592673671 1167597412 /nfs/dbraw/zinc/59/74/12/1167597412.db2.gz JHIAWGCPEYLSRY-CQSZACIVSA-N -1 3 310.321 0.369 20 30 DCEDHM N#CC[C@@]1(O)CCN(c2nc3ccccn3c2-c2nn[n-]n2)C1 ZINC001592673671 1167597418 /nfs/dbraw/zinc/59/74/18/1167597418.db2.gz JHIAWGCPEYLSRY-CQSZACIVSA-N -1 3 310.321 0.369 20 30 DCEDHM N#CCSCC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC001592679604 1167599764 /nfs/dbraw/zinc/59/97/64/1167599764.db2.gz VXBUNFIVMZKFOV-UHFFFAOYSA-N -1 3 318.366 0.047 20 30 DCEDHM N#CCSCC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC001592679604 1167599772 /nfs/dbraw/zinc/59/97/72/1167599772.db2.gz VXBUNFIVMZKFOV-UHFFFAOYSA-N -1 3 318.366 0.047 20 30 DCEDHM N#Cc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)cn2)cn1 ZINC001592691810 1167601893 /nfs/dbraw/zinc/60/18/93/1167601893.db2.gz CMTKOCZJCCJDNG-UHFFFAOYSA-N -1 3 306.289 0.710 20 30 DCEDHM N#Cc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)cn2)cn1 ZINC001592691810 1167601896 /nfs/dbraw/zinc/60/18/96/1167601896.db2.gz CMTKOCZJCCJDNG-UHFFFAOYSA-N -1 3 306.289 0.710 20 30 DCEDHM N#Cc1cc(NC(=O)CO[C@H]2CCOC2)ccc1-c1nnn[n-]1 ZINC001592689202 1167601957 /nfs/dbraw/zinc/60/19/57/1167601957.db2.gz KBAYIQOOYKPTSV-NSHDSACASA-N -1 3 314.305 0.482 20 30 DCEDHM N#Cc1cc(NC(=O)CO[C@H]2CCOC2)ccc1-c1nn[n-]n1 ZINC001592689202 1167601961 /nfs/dbraw/zinc/60/19/61/1167601961.db2.gz KBAYIQOOYKPTSV-NSHDSACASA-N -1 3 314.305 0.482 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1C[C@H](CO)[C@H](CCO)C1 ZINC001592697922 1167602070 /nfs/dbraw/zinc/60/20/70/1167602070.db2.gz BONPILUVCDPIFG-VXGBXAGGSA-N -1 3 314.349 0.165 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1C[C@H](CO)[C@H](CCO)C1 ZINC001592697922 1167602074 /nfs/dbraw/zinc/60/20/74/1167602074.db2.gz BONPILUVCDPIFG-VXGBXAGGSA-N -1 3 314.349 0.165 20 30 DCEDHM N#Cc1cn(CC(=O)Nc2sccc2-c2nnn[n-]2)nn1 ZINC001592703747 1167604256 /nfs/dbraw/zinc/60/42/56/1167604256.db2.gz ULPWLDMOJIWSQT-UHFFFAOYSA-N -1 3 301.295 0.030 20 30 DCEDHM N#Cc1cn(CC(=O)Nc2sccc2-c2nn[n-]n2)nn1 ZINC001592703747 1167604261 /nfs/dbraw/zinc/60/42/61/1167604261.db2.gz ULPWLDMOJIWSQT-UHFFFAOYSA-N -1 3 301.295 0.030 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1NC[C@@H]1CCCS1(=O)=O ZINC001592699844 1167604567 /nfs/dbraw/zinc/60/45/67/1167604567.db2.gz OYAPGUGQGACCTJ-JTQLQIEISA-N -1 3 318.362 0.727 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1NC[C@@H]1CCCS1(=O)=O ZINC001592699844 1167604569 /nfs/dbraw/zinc/60/45/69/1167604569.db2.gz OYAPGUGQGACCTJ-JTQLQIEISA-N -1 3 318.362 0.727 20 30 DCEDHM N#Cc1cncn(CCCOc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC001592704161 1167604955 /nfs/dbraw/zinc/60/49/55/1167604955.db2.gz YQWHEVXIXRRNBS-UHFFFAOYSA-N -1 3 323.316 0.764 20 30 DCEDHM N#Cc1cccc(CNC(=O)Cn2cc(-c3nnn[n-]3)cn2)c1 ZINC001592701839 1167605620 /nfs/dbraw/zinc/60/56/20/1167605620.db2.gz KQIDQYQQRCKNEV-UHFFFAOYSA-N -1 3 308.305 0.251 20 30 DCEDHM N#Cc1cccc(CNC(=O)Cn2cc(-c3nn[n-]n3)cn2)c1 ZINC001592701839 1167605625 /nfs/dbraw/zinc/60/56/25/1167605625.db2.gz KQIDQYQQRCKNEV-UHFFFAOYSA-N -1 3 308.305 0.251 20 30 DCEDHM N#Cc1cccc([C@H](O)CN2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC001601119352 1168587239 /nfs/dbraw/zinc/58/72/39/1168587239.db2.gz YZIMFBLVAOUSQX-CABCVRRESA-N -1 3 304.346 0.749 20 30 DCEDHM C#C[C@@H](CCC)NS(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001602688713 1169159993 /nfs/dbraw/zinc/15/99/93/1169159993.db2.gz LFFSGBPMRALXGX-JTQLQIEISA-N -1 3 320.378 0.650 20 30 DCEDHM C#C[C@@H](CCC)NS(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001602688713 1169159996 /nfs/dbraw/zinc/15/99/96/1169159996.db2.gz LFFSGBPMRALXGX-JTQLQIEISA-N -1 3 320.378 0.650 20 30 DCEDHM C#C[C@H](CC)NC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001602689891 1169160125 /nfs/dbraw/zinc/16/01/25/1169160125.db2.gz OEQDMHVHHZETAI-LLVKDONJSA-N -1 3 314.353 0.385 20 30 DCEDHM C#C[C@H](CC)NC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001602689891 1169160130 /nfs/dbraw/zinc/16/01/30/1169160130.db2.gz OEQDMHVHHZETAI-LLVKDONJSA-N -1 3 314.353 0.385 20 30 DCEDHM C#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)c(C)n1)[C@H]1CCCO1 ZINC001602688472 1169160899 /nfs/dbraw/zinc/16/08/99/1169160899.db2.gz KCECPPGUGXMZKX-WCQYABFASA-N -1 3 312.333 0.481 20 30 DCEDHM C#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1)[C@H]1CCCO1 ZINC001602688472 1169160902 /nfs/dbraw/zinc/16/09/02/1169160902.db2.gz KCECPPGUGXMZKX-WCQYABFASA-N -1 3 312.333 0.481 20 30 DCEDHM C#CCCS(=O)(=O)N1CCCc2c(-c3nnn[n-]3)cccc21 ZINC001602714185 1169167926 /nfs/dbraw/zinc/16/79/26/1169167926.db2.gz LXZJCKFORFRFPM-UHFFFAOYSA-N -1 3 317.374 0.972 20 30 DCEDHM C#CCCS(=O)(=O)N1CCCc2c(-c3nn[n-]n3)cccc21 ZINC001602714185 1169167932 /nfs/dbraw/zinc/16/79/32/1169167932.db2.gz LXZJCKFORFRFPM-UHFFFAOYSA-N -1 3 317.374 0.972 20 30 DCEDHM C#CCN(C)CCCNC(=O)N1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001602713647 1169168270 /nfs/dbraw/zinc/16/82/70/1169168270.db2.gz NSFCVUDZZBTDKC-XJKSGUPXSA-N -1 3 323.393 0.074 20 30 DCEDHM C#CCN1CCC(C(=O)N[C@H](C(=O)[O-])C2CCOCC2)CC1 ZINC001602721138 1169172782 /nfs/dbraw/zinc/17/27/82/1169172782.db2.gz XFAJZUHIYCAYRS-AWEZNQCLSA-N -1 3 308.378 0.328 20 30 DCEDHM C=C(Br)CN[C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC001602744552 1169178376 /nfs/dbraw/zinc/17/83/76/1169178376.db2.gz FLLXKKJQNSSILJ-XKNYDFJKSA-N -1 3 317.183 0.853 20 30 DCEDHM C=CCCOCC(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1 ZINC001602846680 1169192039 /nfs/dbraw/zinc/19/20/39/1169192039.db2.gz VUOWQZZLCQWZBD-UHFFFAOYSA-N -1 3 304.310 0.802 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1cnccc1-c1nnn[n-]1 ZINC001602863752 1169194348 /nfs/dbraw/zinc/19/43/48/1169194348.db2.gz OAUQQFIEAMFDAB-QMMMGPOBSA-N -1 3 302.294 0.109 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1cnccc1-c1nn[n-]n1 ZINC001602863752 1169194351 /nfs/dbraw/zinc/19/43/51/1169194351.db2.gz OAUQQFIEAMFDAB-QMMMGPOBSA-N -1 3 302.294 0.109 20 30 DCEDHM C=CCNC(=O)CNC(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001602862713 1169195066 /nfs/dbraw/zinc/19/50/66/1169195066.db2.gz GVDXWKKEMKMIIV-UHFFFAOYSA-N -1 3 320.740 0.552 20 30 DCEDHM C=CCNC(=O)CNC(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001602862713 1169195068 /nfs/dbraw/zinc/19/50/68/1169195068.db2.gz GVDXWKKEMKMIIV-UHFFFAOYSA-N -1 3 320.740 0.552 20 30 DCEDHM C=C[C@H](CO)Nc1ncc(Br)cc1-c1nnn[n-]1 ZINC001602888394 1169199724 /nfs/dbraw/zinc/19/97/24/1169199724.db2.gz RRMGBKXHKDEVSQ-SSDOTTSWSA-N -1 3 311.143 0.983 20 30 DCEDHM C=C[C@H](CO)Nc1ncc(Br)cc1-c1nn[n-]n1 ZINC001602888394 1169199727 /nfs/dbraw/zinc/19/97/27/1169199727.db2.gz RRMGBKXHKDEVSQ-SSDOTTSWSA-N -1 3 311.143 0.983 20 30 DCEDHM CN(C[C@H]1COCCO1)c1c(C#N)cccc1-c1nnn[n-]1 ZINC001604735671 1169666640 /nfs/dbraw/zinc/66/66/40/1169666640.db2.gz CNKUJWAHBZIJPF-NSHDSACASA-N -1 3 300.322 0.590 20 30 DCEDHM CN(C[C@H]1COCCO1)c1c(C#N)cccc1-c1nn[n-]n1 ZINC001604735671 1169666643 /nfs/dbraw/zinc/66/66/43/1169666643.db2.gz CNKUJWAHBZIJPF-NSHDSACASA-N -1 3 300.322 0.590 20 30 DCEDHM COC(=O)CN(CC#N)Cc1ccc(-c2nnn[n-]2)cc1C ZINC001604939333 1169755782 /nfs/dbraw/zinc/75/57/82/1169755782.db2.gz QIKMODYVYNXQMD-UHFFFAOYSA-N -1 3 300.322 0.674 20 30 DCEDHM COC(=O)CN(CC#N)Cc1ccc(-c2nn[n-]n2)cc1C ZINC001604939333 1169755787 /nfs/dbraw/zinc/75/57/87/1169755787.db2.gz QIKMODYVYNXQMD-UHFFFAOYSA-N -1 3 300.322 0.674 20 30 DCEDHM CO[C@H](C=NNCc1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCOC1 ZINC001605007356 1169777130 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1166533144 /nfs/dbraw/zinc/53/31/44/1166533144.db2.gz JYKYRMIFWDDFOK-SECBINFHSA-N -1 3 320.740 0.683 20 30 DCEDHM C#CC[C@H](COC)NC(=O)c1ncc(-c2nn[n-]n2)cc1Cl ZINC001588333961 1166533154 /nfs/dbraw/zinc/53/31/54/1166533154.db2.gz JYKYRMIFWDDFOK-SECBINFHSA-N -1 3 320.740 0.683 20 30 DCEDHM C#CCN1CCN(C(=O)c2cc(C)c(-c3nnn[n-]3)c(C)c2)CC1 ZINC001588353276 1166544026 /nfs/dbraw/zinc/54/40/26/1166544026.db2.gz MTDNQPSBWPEMGU-UHFFFAOYSA-N -1 3 324.388 0.875 20 30 DCEDHM C#CCN1CCN(C(=O)c2cc(C)c(-c3nn[n-]n3)c(C)c2)CC1 ZINC001588353276 1166544032 /nfs/dbraw/zinc/54/40/32/1166544032.db2.gz MTDNQPSBWPEMGU-UHFFFAOYSA-N -1 3 324.388 0.875 20 30 DCEDHM C#CCOCCC(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001588362552 1166547500 /nfs/dbraw/zinc/54/75/00/1166547500.db2.gz KLYAUQPOGCXREX-UHFFFAOYSA-N -1 3 303.297 0.662 20 30 DCEDHM C#CCOCCC(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001588362552 1166547505 /nfs/dbraw/zinc/54/75/05/1166547505.db2.gz KLYAUQPOGCXREX-UHFFFAOYSA-N -1 3 303.297 0.662 20 30 DCEDHM C#CCOCCNC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001588363537 1166549199 /nfs/dbraw/zinc/54/91/99/1166549199.db2.gz LXSSGYPQCCHAAJ-UHFFFAOYSA-N -1 3 301.306 0.255 20 30 DCEDHM C#CCOCCNC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001588363537 1166549203 /nfs/dbraw/zinc/54/92/03/1166549203.db2.gz LXSSGYPQCCHAAJ-UHFFFAOYSA-N -1 3 301.306 0.255 20 30 DCEDHM C#CCSCCNc1ncc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588363881 1166549576 /nfs/dbraw/zinc/54/95/76/1166549576.db2.gz HEOGHMLNCPBIIY-UHFFFAOYSA-N -1 3 305.323 0.948 20 30 DCEDHM C#CCSCCNc1ncc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588363881 1166549580 /nfs/dbraw/zinc/54/95/80/1166549580.db2.gz HEOGHMLNCPBIIY-UHFFFAOYSA-N -1 3 305.323 0.948 20 30 DCEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001588400913 1166551804 /nfs/dbraw/zinc/55/18/04/1166551804.db2.gz IWZJIXJRTYMYFN-BXKDBHETSA-N -1 3 302.338 0.906 20 30 DCEDHM C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001588400913 1166551807 /nfs/dbraw/zinc/55/18/07/1166551807.db2.gz 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1166568303 /nfs/dbraw/zinc/56/83/03/1166568303.db2.gz ZESALVXKTMMDBX-UHFFFAOYSA-N -1 3 308.367 0.647 20 30 DCEDHM C=CCCCS(=O)(=O)NCc1ccc(-c2nn[n-]n2)cn1 ZINC001588603873 1166568307 /nfs/dbraw/zinc/56/83/07/1166568307.db2.gz ZESALVXKTMMDBX-UHFFFAOYSA-N -1 3 308.367 0.647 20 30 DCEDHM C=CCN(CC(=O)OCC)c1ncc(-c2nnn[n-]2)cc1F ZINC001588628002 1166572193 /nfs/dbraw/zinc/57/21/93/1166572193.db2.gz NPZIJYDORAKEOW-UHFFFAOYSA-N -1 3 306.301 0.956 20 30 DCEDHM C=CCN(CC(=O)OCC)c1ncc(-c2nn[n-]n2)cc1F ZINC001588628002 1166572200 /nfs/dbraw/zinc/57/22/00/1166572200.db2.gz NPZIJYDORAKEOW-UHFFFAOYSA-N -1 3 306.301 0.956 20 30 DCEDHM C=CCNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001588658212 1166576548 /nfs/dbraw/zinc/57/65/48/1166576548.db2.gz BYRABBORSUDCPO-UHFFFAOYSA-N -1 3 314.353 0.279 20 30 DCEDHM C=CCNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001588658212 1166576553 /nfs/dbraw/zinc/57/65/53/1166576553.db2.gz BYRABBORSUDCPO-UHFFFAOYSA-N -1 3 314.353 0.279 20 30 DCEDHM C=CCNC(=O)Cc1noc(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC001588658432 1166577062 /nfs/dbraw/zinc/57/70/62/1166577062.db2.gz JUKIHJNPLQMNIL-UHFFFAOYSA-N -1 3 311.305 0.761 20 30 DCEDHM C=CCNC(=O)Cc1noc(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC001588658432 1166577069 /nfs/dbraw/zinc/57/70/69/1166577069.db2.gz JUKIHJNPLQMNIL-UHFFFAOYSA-N -1 3 311.305 0.761 20 30 DCEDHM C=CCNC(=O)CNC(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001588660288 1166577393 /nfs/dbraw/zinc/57/73/93/1166577393.db2.gz YIMHYOQNCFXLIM-UHFFFAOYSA-N -1 3 321.366 0.030 20 30 DCEDHM C=CCOCC(=O)NCCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001588676433 1166579622 /nfs/dbraw/zinc/57/96/22/1166579622.db2.gz VGIGKWJXZFLYJD-UHFFFAOYSA-N -1 3 317.353 0.301 20 30 DCEDHM C=CCOCC(=O)NCCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588676433 1166579629 /nfs/dbraw/zinc/57/96/29/1166579629.db2.gz VGIGKWJXZFLYJD-UHFFFAOYSA-N -1 3 317.353 0.301 20 30 DCEDHM C=CCn1cc(C(=O)N(C)c2ccccc2-c2nnn[n-]2)nn1 ZINC001588711010 1166581325 /nfs/dbraw/zinc/58/13/25/1166581325.db2.gz HMWFUURCEVZNFD-UHFFFAOYSA-N -1 3 310.321 0.921 20 30 DCEDHM C=CCn1cc(C(=O)N(C)c2ccccc2-c2nn[n-]n2)nn1 ZINC001588711010 1166581329 /nfs/dbraw/zinc/58/13/29/1166581329.db2.gz HMWFUURCEVZNFD-UHFFFAOYSA-N -1 3 310.321 0.921 20 30 DCEDHM C=CCn1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)nn1 ZINC001588713808 1166582226 /nfs/dbraw/zinc/58/22/26/1166582226.db2.gz UXFXPHDBZDOPCL-UHFFFAOYSA-N -1 3 321.304 0.768 20 30 DCEDHM C=CCn1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)nn1 ZINC001588713808 1166582231 /nfs/dbraw/zinc/58/22/31/1166582231.db2.gz UXFXPHDBZDOPCL-UHFFFAOYSA-N -1 3 321.304 0.768 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC001588738884 1166584162 /nfs/dbraw/zinc/58/41/62/1166584162.db2.gz UOTCIEFTLBQOPC-JTQLQIEISA-N -1 3 303.297 0.510 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC001588738884 1166584170 /nfs/dbraw/zinc/58/41/70/1166584170.db2.gz UOTCIEFTLBQOPC-JTQLQIEISA-N -1 3 303.297 0.510 20 30 DCEDHM CC#CC[C@@H](CO)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001588739066 1166585288 /nfs/dbraw/zinc/58/52/88/1166585288.db2.gz XQWQWHCJHYYQCA-JTQLQIEISA-N -1 3 302.294 0.961 20 30 DCEDHM CC#CC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001588739066 1166585298 /nfs/dbraw/zinc/58/52/98/1166585298.db2.gz XQWQWHCJHYYQCA-JTQLQIEISA-N -1 3 302.294 0.961 20 30 DCEDHM C[C@@H](C#N)CN(C)C[C@@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588930763 1166619063 /nfs/dbraw/zinc/61/90/63/1166619063.db2.gz KLGFRFDYUXGJQH-WCQYABFASA-N -1 3 316.365 0.698 20 30 DCEDHM C[C@@H](C#N)CN(C)c1cccc(S(N)(=O)=O)c1-c1nnn[n-]1 ZINC001588931168 1166619185 /nfs/dbraw/zinc/61/91/85/1166619185.db2.gz ROYAMTBUYKITGP-QMMMGPOBSA-N -1 3 321.366 0.110 20 30 DCEDHM C[C@@H](C#N)CN(C)c1cccc(S(N)(=O)=O)c1-c1nn[n-]n1 ZINC001588931168 1166619189 /nfs/dbraw/zinc/61/91/89/1166619189.db2.gz ROYAMTBUYKITGP-QMMMGPOBSA-N -1 3 321.366 0.110 20 30 DCEDHM C[C@H](C#N)C(=O)NCC=CCNc1ccc(-c2nnn[n-]2)nc1 ZINC001588929244 1166619588 /nfs/dbraw/zinc/61/95/88/1166619588.db2.gz RTTNZOKDVZBFPA-VMZHVLLKSA-N -1 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JMLMGLUMOJHJTH-SNVBAGLBSA-N -1 3 302.338 0.627 20 30 DCEDHM C=C(C)C[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001588404620 1166551618 /nfs/dbraw/zinc/55/16/18/1166551618.db2.gz JMLMGLUMOJHJTH-SNVBAGLBSA-N -1 3 302.338 0.627 20 30 DCEDHM C=C(C)C[C@@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)cc1OC ZINC001588403974 1166552279 /nfs/dbraw/zinc/55/22/79/1166552279.db2.gz AUWKGLRTIJPHLT-NSHDSACASA-N -1 3 317.349 0.932 20 30 DCEDHM C=C(C)C[C@@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)cc1OC ZINC001588403974 1166552288 /nfs/dbraw/zinc/55/22/88/1166552288.db2.gz AUWKGLRTIJPHLT-NSHDSACASA-N -1 3 317.349 0.932 20 30 DCEDHM C=C[C@H](COC)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588526275 1166559424 /nfs/dbraw/zinc/55/94/24/1166559424.db2.gz UNJWGTLPLIRUNP-LLVKDONJSA-N -1 3 303.322 0.563 20 30 DCEDHM C=CCCC(=O)N1CCN(c2cnccc2-c2nnn[n-]2)CC1 ZINC001588571014 1166565553 /nfs/dbraw/zinc/56/55/53/1166565553.db2.gz GEWVLNSPHCWTCS-UHFFFAOYSA-N -1 3 313.365 0.877 20 30 DCEDHM C=CCCC(=O)N1CCN(c2cnccc2-c2nn[n-]n2)CC1 ZINC001588571014 1166565558 /nfs/dbraw/zinc/56/55/58/1166565558.db2.gz GEWVLNSPHCWTCS-UHFFFAOYSA-N -1 3 313.365 0.877 20 30 DCEDHM C=CCCO[C@H](C)C(=O)NCc1cncc(-c2nnn[n-]2)c1 ZINC001588608875 1166569297 /nfs/dbraw/zinc/56/92/97/1166569297.db2.gz RRGISIHOHBPJJX-SNVBAGLBSA-N -1 3 302.338 0.859 20 30 DCEDHM C=CCCO[C@H](C)C(=O)NCc1cncc(-c2nn[n-]n2)c1 ZINC001588608875 1166569300 /nfs/dbraw/zinc/56/93/00/1166569300.db2.gz RRGISIHOHBPJJX-SNVBAGLBSA-N -1 3 302.338 0.859 20 30 DCEDHM C=CCN(C)C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588626619 1166570373 /nfs/dbraw/zinc/57/03/73/1166570373.db2.gz NDNLYDDVNKYBDS-UHFFFAOYSA-N -1 3 300.322 0.241 20 30 DCEDHM C=CCN(C)C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588626619 1166570380 /nfs/dbraw/zinc/57/03/80/1166570380.db2.gz NDNLYDDVNKYBDS-UHFFFAOYSA-N -1 3 300.322 0.241 20 30 DCEDHM C=CCN(CCC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001588632668 1166574906 /nfs/dbraw/zinc/57/49/06/1166574906.db2.gz YHXMQVZNWAFJGX-UHFFFAOYSA-N -1 3 319.350 0.352 20 30 DCEDHM C=CCN(CCC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001588632668 1166574912 /nfs/dbraw/zinc/57/49/12/1166574912.db2.gz YHXMQVZNWAFJGX-UHFFFAOYSA-N -1 3 319.350 0.352 20 30 DCEDHM C=CCNC(=O)N1CC[C@@H](Oc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588659058 1166575702 /nfs/dbraw/zinc/57/57/02/1166575702.db2.gz YSFMEJRRJBMWHD-LLVKDONJSA-N -1 3 315.337 0.610 20 30 DCEDHM C=CCNC(=O)N1CC[C@@H](Oc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588659058 1166575707 /nfs/dbraw/zinc/57/57/07/1166575707.db2.gz YSFMEJRRJBMWHD-LLVKDONJSA-N -1 3 315.337 0.610 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1cscc1-c1nnn[n-]1 ZINC001588660243 1166577083 /nfs/dbraw/zinc/57/70/83/1166577083.db2.gz XINCLCVFMVAMOI-ZETCQYMHSA-N -1 3 307.335 0.776 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1cscc1-c1nn[n-]n1 ZINC001588660243 1166577090 /nfs/dbraw/zinc/57/70/90/1166577090.db2.gz XINCLCVFMVAMOI-ZETCQYMHSA-N -1 3 307.335 0.776 20 30 DCEDHM C=CCn1nnnc1Sc1ncc(-c2nnn[n-]2)cc1F ZINC001588716858 1166581444 /nfs/dbraw/zinc/58/14/44/1166581444.db2.gz OAHVTPAELFTUNF-UHFFFAOYSA-N -1 3 305.302 0.725 20 30 DCEDHM C=CCn1nnnc1Sc1ncc(-c2nn[n-]n2)cc1F ZINC001588716858 1166581451 /nfs/dbraw/zinc/58/14/51/1166581451.db2.gz OAHVTPAELFTUNF-UHFFFAOYSA-N -1 3 305.302 0.725 20 30 DCEDHM C=C[C@H](CO)NCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC001588728410 1166582545 /nfs/dbraw/zinc/58/25/45/1166582545.db2.gz QGPAEVDOHAGFJP-LLVKDONJSA-N -1 3 313.321 0.553 20 30 DCEDHM C=C[C@H](CO)NCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC001588728410 1166582551 /nfs/dbraw/zinc/58/25/51/1166582551.db2.gz QGPAEVDOHAGFJP-LLVKDONJSA-N -1 3 313.321 0.553 20 30 DCEDHM CC#CC[C@H](CO)NC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC001588738467 1166584941 /nfs/dbraw/zinc/58/49/41/1166584941.db2.gz OVEHBVBDIVRQAY-SNVBAGLBSA-N -1 3 316.390 0.927 20 30 DCEDHM CC#CC[C@H](CO)NC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC001588738467 1166584947 /nfs/dbraw/zinc/58/49/47/1166584947.db2.gz OVEHBVBDIVRQAY-SNVBAGLBSA-N -1 3 316.390 0.927 20 30 DCEDHM CC#CCN(C)S(=O)(=O)c1ccc(C)cc1-c1nnn[n-]1 ZINC001588747719 1166587837 /nfs/dbraw/zinc/58/78/37/1166587837.db2.gz SGCSISHTFJTTER-UHFFFAOYSA-N -1 3 305.363 0.819 20 30 DCEDHM CC#CCN(C)S(=O)(=O)c1ccc(C)cc1-c1nn[n-]n1 ZINC001588747719 1166587841 /nfs/dbraw/zinc/58/78/41/1166587841.db2.gz SGCSISHTFJTTER-UHFFFAOYSA-N -1 3 305.363 0.819 20 30 DCEDHM C[C@H](C#N)CNC[C@@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001588933896 1166618936 /nfs/dbraw/zinc/61/89/36/1166618936.db2.gz BEKSGBSSDPKZFH-GHMZBOCLSA-N -1 3 302.338 0.356 20 30 DCEDHM CC(C)[C@H](CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)NCC#N ZINC001589453418 1166659728 /nfs/dbraw/zinc/65/97/28/1166659728.db2.gz XAYXODXXAVDHID-NSHDSACASA-N -1 3 302.342 0.062 20 30 DCEDHM CC(C)[C@H](CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)NCC#N ZINC001589453418 1166659731 /nfs/dbraw/zinc/65/97/31/1166659731.db2.gz XAYXODXXAVDHID-NSHDSACASA-N -1 3 302.342 0.062 20 30 DCEDHM CC(C)S(=O)(=O)NN=Cc1csc(-c2nnn[n-]2)c1 ZINC001589759210 1166683558 /nfs/dbraw/zinc/68/35/58/1166683558.db2.gz JLVSDAWEVKEOGA-UHFFFAOYSA-N -1 3 300.369 0.590 20 30 DCEDHM C[C@@H](CC#N)C(=O)Nc1ncc2c(c1-c1nnn[n-]1)COCC2 ZINC001589786343 1166687439 /nfs/dbraw/zinc/68/74/39/1166687439.db2.gz HHCRKBNEXSKPNR-QMMMGPOBSA-N -1 3 313.321 0.823 20 30 DCEDHM C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589787404 1166688105 /nfs/dbraw/zinc/68/81/05/1166688105.db2.gz KKNSGGCUDINQFY-MRVPVSSYSA-N -1 3 324.341 0.928 20 30 DCEDHM C[C@@H](CC#N)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001589787328 1166688887 /nfs/dbraw/zinc/68/88/87/1166688887.db2.gz PIAUCWKJKPLUNY-VIFPVBQESA-N -1 3 314.305 0.898 20 30 DCEDHM C[C@@H](CC#N)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001589787328 1166688891 /nfs/dbraw/zinc/68/88/91/1166688891.db2.gz PIAUCWKJKPLUNY-VIFPVBQESA-N -1 3 314.305 0.898 20 30 DCEDHM C[C@@H](CCCNCC#N)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001589810905 1166693505 /nfs/dbraw/zinc/69/35/05/1166693505.db2.gz NKTCMBRLHCRAJM-VIFPVBQESA-N -1 3 302.342 0.206 20 30 DCEDHM C[C@@H](CCCNCC#N)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001589810905 1166693508 /nfs/dbraw/zinc/69/35/08/1166693508.db2.gz NKTCMBRLHCRAJM-VIFPVBQESA-N -1 3 302.342 0.206 20 30 DCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@@H]1CNCC#N ZINC001590294020 1166842664 /nfs/dbraw/zinc/84/26/64/1166842664.db2.gz QVJLADAIQQIDFF-ONGXEEELSA-N -1 3 314.353 0.016 20 30 DCEDHM C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@@H]1CNCC#N ZINC001590294020 1166842672 /nfs/dbraw/zinc/84/26/72/1166842672.db2.gz QVJLADAIQQIDFF-ONGXEEELSA-N -1 3 314.353 0.016 20 30 DCEDHM CCCNC(=O)CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001590638321 1166960523 /nfs/dbraw/zinc/96/05/23/1166960523.db2.gz ZBGIOSHQNDFLDQ-UHFFFAOYSA-N -1 3 318.366 0.334 20 30 DCEDHM CCCNC(=O)CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC001590638321 1166960525 /nfs/dbraw/zinc/96/05/25/1166960525.db2.gz ZBGIOSHQNDFLDQ-UHFFFAOYSA-N -1 3 318.366 0.334 20 30 DCEDHM CCN(CC#N)S(=O)(=O)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC001590679624 1166968330 /nfs/dbraw/zinc/96/83/30/1166968330.db2.gz DKAMNDBCOHJESR-UHFFFAOYSA-N -1 3 324.341 0.681 20 30 DCEDHM CCN(CC#N)S(=O)(=O)Cc1ccc(F)cc1-c1nn[n-]n1 ZINC001590679624 1166968338 /nfs/dbraw/zinc/96/83/38/1166968338.db2.gz DKAMNDBCOHJESR-UHFFFAOYSA-N -1 3 324.341 0.681 20 30 DCEDHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CCN1CC#N ZINC001590865196 1167040799 /nfs/dbraw/zinc/04/07/99/1167040799.db2.gz PINXNOYFDIJOAJ-CMPLNLGQSA-N -1 3 314.353 0.301 20 30 DCEDHM CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CCN1CC#N ZINC001590865196 1167040804 /nfs/dbraw/zinc/04/08/04/1167040804.db2.gz PINXNOYFDIJOAJ-CMPLNLGQSA-N -1 3 314.353 0.301 20 30 DCEDHM CN(C)c1ccc(-c2nn[n-]n2)cc1C=NN1CCOC1=O ZINC001591030057 1167086388 /nfs/dbraw/zinc/08/63/88/1167086388.db2.gz QJOOJSSFMPTTES-UHFFFAOYSA-N -1 3 301.310 0.719 20 30 DCEDHM COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)N1CC(C)(C#N)C1 ZINC001591242175 1167172508 /nfs/dbraw/zinc/17/25/08/1167172508.db2.gz QFFAHZFXRMFGML-LBPRGKRZSA-N -1 3 312.333 0.926 20 30 DCEDHM COC(=O)[C@H](c1cccc(-c2nn[n-]n2)c1)N1CC(C)(C#N)C1 ZINC001591242175 1167172513 /nfs/dbraw/zinc/17/25/13/1167172513.db2.gz QFFAHZFXRMFGML-LBPRGKRZSA-N -1 3 312.333 0.926 20 30 DCEDHM COC(=O)CCN(CC#N)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001591264584 1167187100 /nfs/dbraw/zinc/18/71/00/1167187100.db2.gz JUHIOQYDPJUULK-UHFFFAOYSA-N -1 3 318.312 0.894 20 30 DCEDHM COC(=O)CCN(CC#N)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001591264584 1167187106 /nfs/dbraw/zinc/18/71/06/1167187106.db2.gz JUHIOQYDPJUULK-UHFFFAOYSA-N -1 3 318.312 0.894 20 30 DCEDHM CON=CC(=O)N1CCO[C@@H](c2ccc(-c3nnn[n-]3)cc2)C1 ZINC001591467632 1167298048 /nfs/dbraw/zinc/29/80/48/1167298048.db2.gz TVRCZUGBXXMZPV-GFCCVEGCSA-N -1 3 316.321 0.399 20 30 DCEDHM CON=CC(=O)N1CCO[C@@H](c2ccc(-c3nn[n-]n3)cc2)C1 ZINC001591467632 1167298053 /nfs/dbraw/zinc/29/80/53/1167298053.db2.gz TVRCZUGBXXMZPV-GFCCVEGCSA-N -1 3 316.321 0.399 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1Cn1ccc(C#N)cc1=O ZINC001591487222 1167312692 /nfs/dbraw/zinc/31/26/92/1167312692.db2.gz SDMZEXWILFCZIP-UHFFFAOYSA-N -1 3 308.301 0.957 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1Cn1ccc(C#N)cc1=O ZINC001591487222 1167312696 /nfs/dbraw/zinc/31/26/96/1167312696.db2.gz SDMZEXWILFCZIP-UHFFFAOYSA-N -1 3 308.301 0.957 20 30 DCEDHM Cc1cc(-c2nnn[n-]2)cc(C)c1Cn1cnc(C#N)cc1=O ZINC001591851238 1167396976 /nfs/dbraw/zinc/39/69/76/1167396976.db2.gz PQQMZPSKLFNFSH-UHFFFAOYSA-N -1 3 307.317 0.960 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)cc(C)c1Cn1cnc(C#N)cc1=O ZINC001591851238 1167396981 /nfs/dbraw/zinc/39/69/81/1167396981.db2.gz PQQMZPSKLFNFSH-UHFFFAOYSA-N -1 3 307.317 0.960 20 30 DCEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N[C@]1(C#N)CCSC1 ZINC001591879678 1167409726 /nfs/dbraw/zinc/40/97/26/1167409726.db2.gz SJVJSRVSYGLRAE-ZDUSSCGKSA-N -1 3 315.362 0.699 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N[C@]1(C#N)CCSC1 ZINC001591879678 1167409728 /nfs/dbraw/zinc/40/97/28/1167409728.db2.gz SJVJSRVSYGLRAE-ZDUSSCGKSA-N -1 3 315.362 0.699 20 30 DCEDHM N#C[C@@]1(C(=O)OCc2ccc(-c3nnn[n-]3)cn2)CCCOC1 ZINC001592667458 1167592000 /nfs/dbraw/zinc/59/20/00/1167592000.db2.gz 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1167600810 /nfs/dbraw/zinc/60/08/10/1167600810.db2.gz QMCWGJOFPVRAQA-UHFFFAOYSA-N -1 3 310.277 0.479 20 30 DCEDHM N#Cc1n[nH]cc1NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001592682139 1167600817 /nfs/dbraw/zinc/60/08/17/1167600817.db2.gz QMCWGJOFPVRAQA-UHFFFAOYSA-N -1 3 310.277 0.479 20 30 DCEDHM N#Cc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cn2)n1 ZINC001592701174 1167604293 /nfs/dbraw/zinc/60/42/93/1167604293.db2.gz HJHJCRNDJXWCPD-UHFFFAOYSA-N -1 3 321.304 0.850 20 30 DCEDHM N#Cc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cn2)n1 ZINC001592701174 1167604308 /nfs/dbraw/zinc/60/43/08/1167604308.db2.gz HJHJCRNDJXWCPD-UHFFFAOYSA-N -1 3 321.304 0.850 20 30 DCEDHM N#Cc1cnn(C(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1N ZINC001592704120 1167605090 /nfs/dbraw/zinc/60/50/90/1167605090.db2.gz VWFZSGYQMVFFKT-UHFFFAOYSA-N -1 3 309.293 0.269 20 30 DCEDHM Cc1nc(N2CCN([C@@]3(C(=O)[O-])CCOC3)CC2)ccc1C#N ZINC001600711344 1168261960 /nfs/dbraw/zinc/26/19/60/1168261960.db2.gz ZBZYBKARNINBMX-INIZCTEOSA-N -1 3 316.361 0.627 20 30 DCEDHM 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CC#CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000341038468 416201478 /nfs/dbraw/zinc/20/14/78/416201478.db2.gz IERRUOCTHIEVQQ-JTQLQIEISA-N -1 3 313.379 0.440 20 30 DCEDHM CO[C@@H]1CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)C[C@@H]1OC ZINC000331126612 416269612 /nfs/dbraw/zinc/26/96/12/416269612.db2.gz RJWAOOMRKTUQMW-KNVOCYPGSA-N -1 3 323.275 0.583 20 30 DCEDHM CO[C@@H]1CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)C[C@@H]1OC ZINC000331126612 416269615 /nfs/dbraw/zinc/26/96/15/416269615.db2.gz RJWAOOMRKTUQMW-KNVOCYPGSA-N -1 3 323.275 0.583 20 30 DCEDHM CO[C@@H]1CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)C[C@@H]1OC ZINC000331126612 416269619 /nfs/dbraw/zinc/26/96/19/416269619.db2.gz RJWAOOMRKTUQMW-KNVOCYPGSA-N -1 3 323.275 0.583 20 30 DCEDHM C=C(C)CN(CC)C(=O)[C@H](C)N1CCC[C@]2(C1)NC(=O)[N-]C2=O ZINC000192667467 416309544 /nfs/dbraw/zinc/30/95/44/416309544.db2.gz IWENBHGCRMNHSX-BLLLJJGKSA-N -1 3 322.409 0.474 20 30 DCEDHM C[C@H](C#N)S(=O)(=O)[N-][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000416481451 416371666 /nfs/dbraw/zinc/37/16/66/416371666.db2.gz BUOXRGMOBVGJDA-WOPDTQHZSA-N -1 3 302.396 0.528 20 30 DCEDHM CC(C)(C)c1nc(C[N-]S(=O)(=O)c2ccc(C#N)nc2)n[nH]1 ZINC000416546188 416375234 /nfs/dbraw/zinc/37/52/34/416375234.db2.gz SCLKAAWYQMCETR-UHFFFAOYSA-N -1 3 320.378 0.847 20 30 DCEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC1(C(N)=O)CCCC1 ZINC000428259959 416884569 /nfs/dbraw/zinc/88/45/69/416884569.db2.gz LMHRWJHXELHKNL-UHFFFAOYSA-N -1 3 308.363 0.277 20 30 DCEDHM CSC[C@H](CCO)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428403537 416893189 /nfs/dbraw/zinc/89/31/89/416893189.db2.gz QPKXZQREXCYOBJ-VIFPVBQESA-N -1 3 301.393 0.346 20 30 DCEDHM C=CCn1cc(C[N-]S(=O)(=O)C[C@@H]2CCCCO2)nn1 ZINC000567347071 417059290 /nfs/dbraw/zinc/05/92/90/417059290.db2.gz HKHGXLULUSFKBB-LBPRGKRZSA-N -1 3 300.384 0.453 20 30 DCEDHM N#CCCS(=O)(=O)[N-][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000569021414 417205838 /nfs/dbraw/zinc/20/58/38/417205838.db2.gz YKDNLRCULKZBKC-NWDGAFQWSA-N -1 3 302.396 0.530 20 30 DCEDHM COC[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)[C@H]1CCCO1 ZINC000451474097 417352382 /nfs/dbraw/zinc/35/23/82/417352382.db2.gz AOYZOSCJQCUVHY-NWDGAFQWSA-N -1 3 302.396 0.794 20 30 DCEDHM COCC1(S(=O)(=O)[N-]CC(=O)c2ccc(C#N)cc2)CC1 ZINC000451517348 417356937 /nfs/dbraw/zinc/35/69/37/417356937.db2.gz MHHJUXCYAOIKOJ-UHFFFAOYSA-N -1 3 308.359 0.839 20 30 DCEDHM CC#CC[C@@H](CO)[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000659985179 418212617 /nfs/dbraw/zinc/21/26/17/418212617.db2.gz DMOAKLFBCBKUKJ-KBPBESRZSA-N -1 3 319.423 0.264 20 30 DCEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1[n-]nnc1C(N)=O ZINC000362411855 262031643 /nfs/dbraw/zinc/03/16/43/262031643.db2.gz QQKYLVSGGPGPJG-SSDOTTSWSA-N -1 3 300.278 0.181 20 30 DCEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nn[n-]c1C(N)=O ZINC000362411855 262031646 /nfs/dbraw/zinc/03/16/46/262031646.db2.gz QQKYLVSGGPGPJG-SSDOTTSWSA-N -1 3 300.278 0.181 20 30 DCEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1n[n-]nc1C(N)=O ZINC000362411855 262031648 /nfs/dbraw/zinc/03/16/48/262031648.db2.gz QQKYLVSGGPGPJG-SSDOTTSWSA-N -1 3 300.278 0.181 20 30 DCEDHM CNC(=O)c1ccc(/C=C\C(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC000493149589 272171623 /nfs/dbraw/zinc/17/16/23/272171623.db2.gz IOAJVTSKHFVZGB-XURPKSDJSA-N -1 3 317.345 0.556 20 30 DCEDHM CC(C)(C)OC(=O)NCCC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000495763170 272271116 /nfs/dbraw/zinc/27/11/16/272271116.db2.gz QTEKNHKJNVYZDS-SECBINFHSA-N -1 3 301.343 0.398 20 30 DCEDHM O=C1[N-]C(=O)[C@]2(CCCN(CC#Cc3ccc(F)cc3)C2)N1 ZINC000192683739 275022051 /nfs/dbraw/zinc/02/20/51/275022051.db2.gz JTNVVKTYJCJYOV-MRXNPFEDSA-N -1 3 301.321 0.851 20 30 DCEDHM CC(C)(C#N)CNC(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)[N-]C1=O ZINC000355073193 278258934 /nfs/dbraw/zinc/25/89/34/278258934.db2.gz AYBVISJJJMNOKE-BONVTDFDSA-N -1 3 321.381 0.698 20 30 DCEDHM N#CC1(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)CCCCC1 ZINC000195015396 303139724 /nfs/dbraw/zinc/13/97/24/303139724.db2.gz LKTJDLPEGOMJAB-HNNXBMFYSA-N -1 3 304.350 0.661 20 30 DCEDHM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-][C@]1(C#N)CCC[C@@H](C)C1 ZINC000340637169 334258016 /nfs/dbraw/zinc/25/80/16/334258016.db2.gz DADCYYVYHGRGHG-NTZNESFSSA-N -1 3 301.412 0.855 20 30 DCEDHM C#CCN1CCC(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)CC1 ZINC000490915436 339843600 /nfs/dbraw/zinc/84/36/00/339843600.db2.gz NHVXWDIKVGBKEC-UHFFFAOYSA-N -1 3 317.393 0.562 20 30 DCEDHM CN(CCC#N)S(=O)(=O)[N-]Cc1nc(C(F)(F)F)no1 ZINC000547304669 341204458 /nfs/dbraw/zinc/20/44/58/341204458.db2.gz CGZNECGPFGMWBB-UHFFFAOYSA-N -1 3 313.261 0.268 20 30 DCEDHM COC[C@H](O)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000130633944 522803020 /nfs/dbraw/zinc/80/30/20/522803020.db2.gz XGSQCTXHHHGMMH-SECBINFHSA-N -1 3 304.755 0.497 20 30 DCEDHM CC#CCCNC(=O)Nc1ccc(C[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000360266993 526329654 /nfs/dbraw/zinc/32/96/54/526329654.db2.gz NAPQGYWJAWVLFF-CYBMUJFWSA-N -1 3 314.345 0.972 20 30 DCEDHM C#C[C@@H](NC(=O)C[N-]S(=O)(=O)c1cccs1)C(C)C ZINC000282353857 527268004 /nfs/dbraw/zinc/26/80/04/527268004.db2.gz ZWLUEHCJGJSMMS-SNVBAGLBSA-N -1 3 300.405 0.800 20 30 DCEDHM C=CCn1c(=O)[n-]nc1SCC1CCS(=O)(=O)CC1 ZINC000270435843 527284625 /nfs/dbraw/zinc/28/46/25/527284625.db2.gz XWZVRRRHPQLKOR-UHFFFAOYSA-N -1 3 303.409 0.674 20 30 DCEDHM C=C[C@@H](CO)[N-]S(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000349804224 527442358 /nfs/dbraw/zinc/44/23/58/527442358.db2.gz UIWKUWZWYQLXLK-QMMMGPOBSA-N -1 3 316.770 0.516 20 30 DCEDHM COC(=O)c1conc1C(C)(C)[N-]S(=O)(=O)[C@H](C)C#N ZINC000425228036 536850952 /nfs/dbraw/zinc/85/09/52/536850952.db2.gz OWMBAWLLTFUTHS-SSDOTTSWSA-N -1 3 301.324 0.528 20 30 DCEDHM C#CCSCCNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735388191 598849094 /nfs/dbraw/zinc/84/90/94/598849094.db2.gz SUSINEOXTVAQFM-UHFFFAOYSA-N -1 3 316.390 0.761 20 30 DCEDHM CC(=O)NC(C)(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735473761 598914611 /nfs/dbraw/zinc/91/46/11/598914611.db2.gz FVXJNPFCZRXOBB-UHFFFAOYSA-N -1 3 313.321 0.592 20 30 DCEDHM CC(=O)NC(C)(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735473761 598914612 /nfs/dbraw/zinc/91/46/12/598914612.db2.gz FVXJNPFCZRXOBB-UHFFFAOYSA-N -1 3 313.321 0.592 20 30 DCEDHM Cn1nc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)ccc1=O ZINC000737622141 599030326 /nfs/dbraw/zinc/03/03/26/599030326.db2.gz JMGJPLSZQDWJOR-UHFFFAOYSA-N -1 3 322.288 0.084 20 30 DCEDHM Cn1nc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)ccc1=O ZINC000737622141 599030328 /nfs/dbraw/zinc/03/03/28/599030328.db2.gz JMGJPLSZQDWJOR-UHFFFAOYSA-N -1 3 322.288 0.084 20 30 DCEDHM N#CC1(NC(=O)c2sccc2-c2nnn[n-]2)CCOCC1 ZINC000737677300 599035563 /nfs/dbraw/zinc/03/55/63/599035563.db2.gz BNYUKHGBXLDRMA-UHFFFAOYSA-N -1 3 304.335 0.731 20 30 DCEDHM N#CC1(NC(=O)c2sccc2-c2nn[n-]n2)CCOCC1 ZINC000737677300 599035565 /nfs/dbraw/zinc/03/55/65/599035565.db2.gz BNYUKHGBXLDRMA-UHFFFAOYSA-N -1 3 304.335 0.731 20 30 DCEDHM C=CCCOCC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000735416674 599213022 /nfs/dbraw/zinc/21/30/22/599213022.db2.gz OKYOOWIQQDIQHA-UHFFFAOYSA-N -1 3 317.349 0.954 20 30 DCEDHM CCN1CCN(C[C@H](C)CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1 ZINC000820354102 597653754 /nfs/dbraw/zinc/65/37/54/597653754.db2.gz LWEDPJQUKFIXRI-CJNGLKHVSA-N -1 3 324.425 0.381 20 30 DCEDHM N#C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CCO1 ZINC000737686124 598365144 /nfs/dbraw/zinc/36/51/44/598365144.db2.gz WPWPGJTYNTZJGC-SECBINFHSA-N -1 3 301.266 0.504 20 30 DCEDHM N#C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[n-]n2)CCO1 ZINC000737686124 598365145 /nfs/dbraw/zinc/36/51/45/598365145.db2.gz WPWPGJTYNTZJGC-SECBINFHSA-N -1 3 301.266 0.504 20 30 DCEDHM N#C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)cn2)CCN1C1CC1 ZINC000737679214 598754788 /nfs/dbraw/zinc/75/47/88/598754788.db2.gz OEEVHVGDLFBVQE-GFCCVEGCSA-N -1 3 324.348 0.074 20 30 DCEDHM N#C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)cn2)CCN1C1CC1 ZINC000737679214 598754789 /nfs/dbraw/zinc/75/47/89/598754789.db2.gz OEEVHVGDLFBVQE-GFCCVEGCSA-N -1 3 324.348 0.074 20 30 DCEDHM COc1ccc(C#N)cc1Cn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC000821770375 607377892 /nfs/dbraw/zinc/37/78/92/607377892.db2.gz RDCKTHIOCNEEMS-UHFFFAOYSA-N -1 3 321.304 0.446 20 30 DCEDHM COc1ccc(C#N)cc1Cn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC000821770375 607377893 /nfs/dbraw/zinc/37/78/93/607377893.db2.gz RDCKTHIOCNEEMS-UHFFFAOYSA-N -1 3 321.304 0.446 20 30 DCEDHM COC(=O)CN(CC#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736918372 599569971 /nfs/dbraw/zinc/56/99/71/599569971.db2.gz ALCVCZWEQFYGCT-UHFFFAOYSA-N -1 3 300.278 0.005 20 30 DCEDHM COC(=O)CN(CC#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736918372 599569973 /nfs/dbraw/zinc/56/99/73/599569973.db2.gz ALCVCZWEQFYGCT-UHFFFAOYSA-N -1 3 300.278 0.005 20 30 DCEDHM C#CCN(CC)C(=O)C(=O)Nc1cccc(C)c1-c1nnn[n-]1 ZINC000819698087 599602331 /nfs/dbraw/zinc/60/23/31/599602331.db2.gz SIAFYCSFPUVMGN-UHFFFAOYSA-N -1 3 312.333 0.595 20 30 DCEDHM C#CCN(CC)C(=O)C(=O)Nc1cccc(C)c1-c1nn[n-]n1 ZINC000819698087 599602333 /nfs/dbraw/zinc/60/23/33/599602333.db2.gz SIAFYCSFPUVMGN-UHFFFAOYSA-N -1 3 312.333 0.595 20 30 DCEDHM C#CCCCNC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000819692350 599615506 /nfs/dbraw/zinc/61/55/06/599615506.db2.gz DITVGMBHVLDRMF-UHFFFAOYSA-N -1 3 312.333 0.643 20 30 DCEDHM C#CCCCNC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000819692350 599615507 /nfs/dbraw/zinc/61/55/07/599615507.db2.gz DITVGMBHVLDRMF-UHFFFAOYSA-N -1 3 312.333 0.643 20 30 DCEDHM N#C[C@H]1CN(CC(=O)Nc2sccc2-c2nnn[n-]2)CCO1 ZINC000822805965 607451307 /nfs/dbraw/zinc/45/13/07/607451307.db2.gz HITRNLOPRAJXAM-QMMMGPOBSA-N -1 3 319.350 0.091 20 30 DCEDHM N#C[C@H]1CN(CC(=O)Nc2sccc2-c2nn[n-]n2)CCO1 ZINC000822805965 607451309 /nfs/dbraw/zinc/45/13/09/607451309.db2.gz HITRNLOPRAJXAM-QMMMGPOBSA-N -1 3 319.350 0.091 20 30 DCEDHM C[C@H](CC#N)N(C)S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000824385694 607607781 /nfs/dbraw/zinc/60/77/81/607607781.db2.gz ZIEKUSJWLAPOAK-SECBINFHSA-N -1 3 306.351 0.789 20 30 DCEDHM C[C@H](CC#N)N(C)S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000824385694 607607783 /nfs/dbraw/zinc/60/77/83/607607783.db2.gz ZIEKUSJWLAPOAK-SECBINFHSA-N -1 3 306.351 0.789 20 30 DCEDHM CC(C)NC(=O)C(C#N)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000824368210 604220893 /nfs/dbraw/zinc/22/08/93/604220893.db2.gz KQKAHJYAGDGUDK-GHMZBOCLSA-N -1 3 311.338 0.379 20 30 DCEDHM CC(C)NC(=O)C(C#N)C(=O)C[C@H]1CSCCN1C(=O)[O-] ZINC000824368617 605345951 /nfs/dbraw/zinc/34/59/51/605345951.db2.gz OBRVASMKZKZVKJ-VHSXEESVSA-N -1 3 313.379 0.705 20 30 DCEDHM Cc1oc(NC(=O)CN(C)CCC#N)c(-c2nnn[n-]2)c1C ZINC000822549242 606198899 /nfs/dbraw/zinc/19/88/99/606198899.db2.gz XACPYQKBBSENBJ-UHFFFAOYSA-N -1 3 303.326 0.861 20 30 DCEDHM C#CCN(CC#C)C(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819697855 606459196 /nfs/dbraw/zinc/45/91/96/606459196.db2.gz MJAQYAOETSQERI-LBPRGKRZSA-N -1 3 309.329 0.729 20 30 DCEDHM NC(=O)c1ccc(N=NCc2cc(-c3nnn[n-]3)cs2)nn1 ZINC000822885710 606768370 /nfs/dbraw/zinc/76/83/70/606768370.db2.gz UEGCTRIPVHTZSA-UHFFFAOYSA-N -1 3 315.322 0.263 20 30 DCEDHM NC(=O)c1ccc(N=NCc2cc(-c3nn[n-]n3)cs2)nn1 ZINC000822885710 606768372 /nfs/dbraw/zinc/76/83/72/606768372.db2.gz UEGCTRIPVHTZSA-UHFFFAOYSA-N -1 3 315.322 0.263 20 30 DCEDHM COC[C@](C)(C#N)NC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000821680393 606775477 /nfs/dbraw/zinc/77/54/77/606775477.db2.gz HYVKXEBCWLCYRU-HNNXBMFYSA-N -1 3 314.349 0.844 20 30 DCEDHM COC[C@](C)(C#N)NC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000821680393 606775479 /nfs/dbraw/zinc/77/54/79/606775479.db2.gz HYVKXEBCWLCYRU-HNNXBMFYSA-N -1 3 314.349 0.844 20 30 DCEDHM N#C[C@@H]1COCCN1C[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822806894 606929240 /nfs/dbraw/zinc/92/92/40/606929240.db2.gz VDHGAGUTFOSERT-CHWSQXEVSA-N -1 3 300.322 0.124 20 30 DCEDHM N#C[C@@H]1COCCN1C[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822806894 606929241 /nfs/dbraw/zinc/92/92/41/606929241.db2.gz VDHGAGUTFOSERT-CHWSQXEVSA-N -1 3 300.322 0.124 20 30 DCEDHM COC(=O)CN(CC#N)Cc1cc(F)ccc1-c1nnn[n-]1 ZINC000821662745 607068799 /nfs/dbraw/zinc/06/87/99/607068799.db2.gz QWKDNSNTQNFIGG-UHFFFAOYSA-N -1 3 304.285 0.504 20 30 DCEDHM COC(=O)CN(CC#N)Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000821662745 607068800 /nfs/dbraw/zinc/06/88/00/607068800.db2.gz QWKDNSNTQNFIGG-UHFFFAOYSA-N -1 3 304.285 0.504 20 30 DCEDHM C=CCCOCCNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000823899199 607944552 /nfs/dbraw/zinc/94/45/52/607944552.db2.gz PNXTZZMTBQTGGH-UHFFFAOYSA-N -1 3 317.349 0.954 20 30 DCEDHM C=CCCOCCNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000823899199 607944553 /nfs/dbraw/zinc/94/45/53/607944553.db2.gz PNXTZZMTBQTGGH-UHFFFAOYSA-N -1 3 317.349 0.954 20 30 DCEDHM CC#CCNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000823937221 608100118 /nfs/dbraw/zinc/10/01/18/608100118.db2.gz MXXRJVQEOHARJG-UHFFFAOYSA-N -1 3 300.322 0.568 20 30 DCEDHM C#CCOCCNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000823856561 608133565 /nfs/dbraw/zinc/13/35/65/608133565.db2.gz TZSURKNYSMQPFJ-UHFFFAOYSA-N -1 3 301.306 0.012 20 30 DCEDHM C#CCOCCNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000823856561 608133566 /nfs/dbraw/zinc/13/35/66/608133566.db2.gz TZSURKNYSMQPFJ-UHFFFAOYSA-N -1 3 301.306 0.012 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1Cn1nc(C)c(C#N)c1N ZINC000826174203 608325607 /nfs/dbraw/zinc/32/56/07/608325607.db2.gz NBQDLZGOQZXWCR-UHFFFAOYSA-N -1 3 310.321 0.882 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1Cn1nc(C)c(C#N)c1N ZINC000826174203 608325608 /nfs/dbraw/zinc/32/56/08/608325608.db2.gz NBQDLZGOQZXWCR-UHFFFAOYSA-N -1 3 310.321 0.882 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1CN1CCO[C@H](C#N)C1 ZINC000826169993 608359433 /nfs/dbraw/zinc/35/94/33/608359433.db2.gz LNRKKYRUGPTNFJ-GFCCVEGCSA-N -1 3 300.322 0.600 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCO[C@H](C#N)C1 ZINC000826169993 608359434 /nfs/dbraw/zinc/35/94/34/608359434.db2.gz LNRKKYRUGPTNFJ-GFCCVEGCSA-N -1 3 300.322 0.600 20 30 DCEDHM C=CC[C@H](CO)CNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000823888769 608561717 /nfs/dbraw/zinc/56/17/17/608561717.db2.gz VZDLQAWBIFXGHR-NSHDSACASA-N -1 3 317.349 0.546 20 30 DCEDHM C=CC[C@H](CO)CNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000823888769 608561719 /nfs/dbraw/zinc/56/17/19/608561719.db2.gz VZDLQAWBIFXGHR-NSHDSACASA-N -1 3 317.349 0.546 20 30 DCEDHM CN(C)c1cccc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)c1 ZINC000825883319 609174259 /nfs/dbraw/zinc/17/42/59/609174259.db2.gz FPPJRTWIGXHMTC-UHFFFAOYSA-N -1 3 309.337 0.631 20 30 DCEDHM CN(C)c1cccc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)c1 ZINC000825883319 609174261 /nfs/dbraw/zinc/17/42/61/609174261.db2.gz FPPJRTWIGXHMTC-UHFFFAOYSA-N -1 3 309.337 0.631 20 30 DCEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC1OCCO1 ZINC000826383730 609174418 /nfs/dbraw/zinc/17/44/18/609174418.db2.gz NPDOFOCCUASTAT-UHFFFAOYSA-N -1 3 305.323 0.181 20 30 DCEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCC1OCCO1 ZINC000826383730 609174420 /nfs/dbraw/zinc/17/44/20/609174420.db2.gz NPDOFOCCUASTAT-UHFFFAOYSA-N -1 3 305.323 0.181 20 30 DCEDHM N#Cc1ccc(NCCNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC000826385215 609195026 /nfs/dbraw/zinc/19/50/26/609195026.db2.gz BSPOQRIILRYTAJ-UHFFFAOYSA-N -1 3 323.320 0.303 20 30 DCEDHM N#Cc1ccc(NCCNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC000826385215 609195028 /nfs/dbraw/zinc/19/50/28/609195028.db2.gz BSPOQRIILRYTAJ-UHFFFAOYSA-N -1 3 323.320 0.303 20 30 DCEDHM C#CCN(CC#CC)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823844618 609237791 /nfs/dbraw/zinc/23/77/91/609237791.db2.gz DFYHMPNNGYVOCB-AWEZNQCLSA-N -1 3 309.329 0.385 20 30 DCEDHM C#CCN(CC#CC)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823844618 609237792 /nfs/dbraw/zinc/23/77/92/609237792.db2.gz DFYHMPNNGYVOCB-AWEZNQCLSA-N -1 3 309.329 0.385 20 30 DCEDHM CC(C)(C#N)CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824058887 609432589 /nfs/dbraw/zinc/43/25/89/609432589.db2.gz HFWIBTPBSUVGSS-NSHDSACASA-N -1 3 300.322 0.566 20 30 DCEDHM CC(C)(C#N)CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824058887 609432592 /nfs/dbraw/zinc/43/25/92/609432592.db2.gz HFWIBTPBSUVGSS-NSHDSACASA-N -1 3 300.322 0.566 20 30 DCEDHM COC(=O)[C@@H](NCCCC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111783 609508126 /nfs/dbraw/zinc/50/81/26/609508126.db2.gz MCNLPRBOVNQMOZ-LBPRGKRZSA-N -1 3 300.322 0.974 20 30 DCEDHM COC(=O)[C@@H](NCCCC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111783 609508128 /nfs/dbraw/zinc/50/81/28/609508128.db2.gz MCNLPRBOVNQMOZ-LBPRGKRZSA-N -1 3 300.322 0.974 20 30 DCEDHM COCC#CCOC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826147460 609632778 /nfs/dbraw/zinc/63/27/78/609632778.db2.gz YEJDYANEOXKRDC-LBPRGKRZSA-N -1 3 302.290 0.093 20 30 DCEDHM COCC#CCOC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826147460 609632779 /nfs/dbraw/zinc/63/27/79/609632779.db2.gz YEJDYANEOXKRDC-LBPRGKRZSA-N -1 3 302.290 0.093 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)N(C)C[C@H]1CCN1C(=O)[C@H](C)C#N ZINC000978219529 660501637 /nfs/dbraw/zinc/50/16/37/660501637.db2.gz AVWQZFQNFHCDAY-MWLCHTKSSA-N -1 3 317.349 0.323 20 30 DCEDHM C#Cc1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)c3cn[n-]n3)C2)cc1 ZINC000980101022 660873184 /nfs/dbraw/zinc/87/31/84/660873184.db2.gz KSCIRXMFJMJPIJ-MQMHXKEQSA-N -1 3 323.356 0.724 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000890531190 657595772 /nfs/dbraw/zinc/59/57/72/657595772.db2.gz ULYQBBHKVMUDQC-TUAOUCFPSA-N -1 3 304.350 0.468 20 30 DCEDHM C=CC[C@H]1CCN1C(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000890566629 657669046 /nfs/dbraw/zinc/66/90/46/657669046.db2.gz MFNRUHMIEHARMY-NSHDSACASA-N -1 3 319.386 0.902 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1C ZINC000939219711 665520119 /nfs/dbraw/zinc/52/01/19/665520119.db2.gz QZZABXXJRRPATD-IQJOONFLSA-N -1 3 317.349 0.227 20 30 DCEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)CC#N)ccc1F ZINC000725713808 658259260 /nfs/dbraw/zinc/25/92/60/658259260.db2.gz VMMWGJCDBOIMIR-UHFFFAOYSA-N -1 3 311.338 0.886 20 30 DCEDHM C[C@H](C#N)C(=O)N1CC[C@H](N(C)C(=O)c2cnc[n-]c2=O)C1 ZINC000939406304 665574812 /nfs/dbraw/zinc/57/48/12/665574812.db2.gz NULVBTQLJUFVSQ-ZJUUUORDSA-N -1 3 303.322 0.015 20 30 DCEDHM C=CCCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[n-]n2c1nccc2=O ZINC001032670552 665603559 /nfs/dbraw/zinc/60/35/59/665603559.db2.gz FCRIXBGYYTVHFK-RYUDHWBXSA-N -1 3 313.361 0.497 20 30 DCEDHM C#CCN(C)CCCNS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000327988814 659410386 /nfs/dbraw/zinc/41/03/86/659410386.db2.gz KVZBAJYVFKZTGF-UHFFFAOYSA-N -1 3 324.402 0.927 20 30 DCEDHM C=C1CC(C)(C(=O)N2CC[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001027050727 659739371 /nfs/dbraw/zinc/73/93/71/659739371.db2.gz JIDUPWZJEVRKEH-NSHDSACASA-N -1 3 305.382 0.805 20 30 DCEDHM C#CCN1CCC[C@@H]1CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC001028268706 661370175 /nfs/dbraw/zinc/37/01/75/661370175.db2.gz YRONJOAAVXQPQO-GFCCVEGCSA-N -1 3 311.341 0.398 20 30 DCEDHM N#Cc1ccc(C(=O)N[C@H]2C[C@H](CNCc3n[nH]c(=O)[n-]3)C2)[nH]1 ZINC000983494832 661942762 /nfs/dbraw/zinc/94/27/62/661942762.db2.gz CDLDITKCGOFNRZ-CZMCAQCFSA-N -1 3 315.337 0.008 20 30 DCEDHM C#CC[C@H](COC)NC(=O)N[C@H]1CCN(c2cc(=O)[n-]cn2)C1 ZINC000896066560 662240113 /nfs/dbraw/zinc/24/01/13/662240113.db2.gz YHEUQNDJBOOLMU-NWDGAFQWSA-N -1 3 319.365 0.098 20 30 DCEDHM CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cn1 ZINC000728765388 662416054 /nfs/dbraw/zinc/41/60/54/662416054.db2.gz LKOSPHAKAQPMQH-LLVKDONJSA-N -1 3 323.312 0.797 20 30 DCEDHM CON=CC(=O)N[C@@H]1CCN(c2nc(C(C)C)cc(=O)[n-]2)C1 ZINC000888234107 662972516 /nfs/dbraw/zinc/97/25/16/662972516.db2.gz YBYRADWSOSQEQW-SNVBAGLBSA-N -1 3 307.354 0.633 20 30 DCEDHM C[C@@H]1C[C@@H](NCC#N)CN1C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000989693637 662972609 /nfs/dbraw/zinc/97/26/09/662972609.db2.gz LYMDTWAVSGDXKK-MWLCHTKSSA-N -1 3 312.329 0.286 20 30 DCEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCc3nnn(C)c3C2)c1[O-] ZINC000899230466 663131148 /nfs/dbraw/zinc/13/11/48/663131148.db2.gz HXOBIWRYYOAYQX-OWHAOFTHSA-N -1 3 301.350 0.693 20 30 DCEDHM N#Cc1ccc(S(=O)(=O)[N-]C(=O)CNC2CC2)cc1Cl ZINC000901029445 663304960 /nfs/dbraw/zinc/30/49/60/663304960.db2.gz SHRPYPAGXHIPCG-UHFFFAOYSA-N -1 3 313.766 0.769 20 30 DCEDHM C#Cc1ccc([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)cc1 ZINC000902000147 663378038 /nfs/dbraw/zinc/37/80/38/663378038.db2.gz ZCTGTJYPDXXRCH-SFHVURJKSA-N -1 3 301.393 0.899 20 30 DCEDHM C#CCN(C)CCCNC(=O)NC1(C(=O)[O-])CCSCC1 ZINC000909037348 663778926 /nfs/dbraw/zinc/77/89/26/663778926.db2.gz HUUQCYPBXFNETE-UHFFFAOYSA-N -1 3 313.423 0.591 20 30 DCEDHM CC#CCN1CC[C@@]2(NC(=O)c3n[nH]c(=O)[n-]c3=O)CCC[C@H]12 ZINC000991627471 664490346 /nfs/dbraw/zinc/49/03/46/664490346.db2.gz SMCDUBNZGHJCIS-BONVTDFDSA-N -1 3 317.349 0.033 20 30 DCEDHM C=CCO[N-]C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000837047684 664932858 /nfs/dbraw/zinc/93/28/58/664932858.db2.gz KYCWEKNQXMGVGU-UHFFFAOYSA-N -1 3 318.377 0.744 20 30 DCEDHM C=C(C)CN1CCC[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H]1C ZINC000993548118 664979765 /nfs/dbraw/zinc/97/97/65/664979765.db2.gz LZVWHCOSDVEUFH-NXEZZACHSA-N -1 3 307.354 0.442 20 30 DCEDHM C#CC[C@H](CO)[N-]S(=O)(=O)c1cc(F)c(OC)cc1F ZINC000916906072 665101406 /nfs/dbraw/zinc/10/14/06/665101406.db2.gz FSAVZJHFDAQNQS-MRVPVSSYSA-N -1 3 305.302 0.636 20 30 DCEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cnc(OC)s1 ZINC000918464070 665169976 /nfs/dbraw/zinc/16/99/76/665169976.db2.gz XHXDCKUOZHXOJS-SECBINFHSA-N -1 3 304.393 0.858 20 30 DCEDHM Cc1nc[n-]c(=O)c1C(=O)N[C@@H](C)C1CCN(CC#N)CC1 ZINC000997724729 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MDQPHOMXDRWNSE-UHFFFAOYSA-N -1 3 324.348 0.503 20 30 DCEDHM C=CCn1cc(CNC(=O)Cc2cccc(-c3nn[n-]n3)c2)nn1 ZINC001588713466 1166580841 /nfs/dbraw/zinc/58/08/41/1166580841.db2.gz MDQPHOMXDRWNSE-UHFFFAOYSA-N -1 3 324.348 0.503 20 30 DCEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC001588718693 1166581726 /nfs/dbraw/zinc/58/17/26/1166581726.db2.gz QIPCVEHZQBFCRT-PWSUYJOCSA-N -1 3 302.338 0.669 20 30 DCEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC001588718693 1166581730 /nfs/dbraw/zinc/58/17/30/1166581730.db2.gz QIPCVEHZQBFCRT-PWSUYJOCSA-N -1 3 302.338 0.669 20 30 DCEDHM CC#CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001588747385 1166583588 /nfs/dbraw/zinc/58/35/88/1166583588.db2.gz DJMLKZQKGJXUAL-UHFFFAOYSA-N -1 3 318.724 0.598 20 30 DCEDHM CC#CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001588747385 1166583592 /nfs/dbraw/zinc/58/35/92/1166583592.db2.gz DJMLKZQKGJXUAL-UHFFFAOYSA-N -1 3 318.724 0.598 20 30 DCEDHM CC#CC[C@H](CO)NC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001588738224 1166584835 /nfs/dbraw/zinc/58/48/35/1166584835.db2.gz MQFMNEXHUQZMMC-GFCCVEGCSA-N -1 3 315.333 0.136 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001588928496 1166615615 /nfs/dbraw/zinc/61/56/15/1166615615.db2.gz BDRKAOWHRDRMJB-KOLCDFICSA-N -1 3 312.337 0.116 20 30 DCEDHM C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001588928496 1166615621 /nfs/dbraw/zinc/61/56/21/1166615621.db2.gz BDRKAOWHRDRMJB-KOLCDFICSA-N -1 3 312.337 0.116 20 30 DCEDHM C[C@@H](C#N)CN(C)CC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC001588930726 1166618993 /nfs/dbraw/zinc/61/89/93/1166618993.db2.gz IPGCQWZDJPAUNG-NSHDSACASA-N -1 3 313.365 0.574 20 30 DCEDHM C[C@@H](C#N)CN(C)CC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC001588930726 1166618996 /nfs/dbraw/zinc/61/89/96/1166618996.db2.gz IPGCQWZDJPAUNG-NSHDSACASA-N -1 3 313.365 0.574 20 30 DCEDHM C[C@@H](C#N)C(=O)NCCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001588929333 1166619423 /nfs/dbraw/zinc/61/94/23/1166619423.db2.gz ZUJSMIIGMAVBIA-JTQLQIEISA-N -1 3 314.353 0.364 20 30 DCEDHM C[C@@H](C#N)C(=O)NCCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001588929333 1166619428 /nfs/dbraw/zinc/61/94/28/1166619428.db2.gz ZUJSMIIGMAVBIA-JTQLQIEISA-N -1 3 314.353 0.364 20 30 DCEDHM C[C@@H](c1cccc(-c2nnn[n-]2)c1)N(C)C(=O)NCC#CCO ZINC001590044186 1166760110 /nfs/dbraw/zinc/76/01/10/1166760110.db2.gz PFESIPWJAZNVNR-NSHDSACASA-N -1 3 314.349 0.565 20 30 DCEDHM C[C@@H](c1cccc(-c2nn[n-]n2)c1)N(C)C(=O)NCC#CCO ZINC001590044186 1166760114 /nfs/dbraw/zinc/76/01/14/1166760114.db2.gz PFESIPWJAZNVNR-NSHDSACASA-N -1 3 314.349 0.565 20 30 DCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC[C@@H]1NCC#N ZINC001590294274 1166845028 /nfs/dbraw/zinc/84/50/28/1166845028.db2.gz ZVJBJKBKLDLHAZ-KOLCDFICSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC[C@@H]1NCC#N ZINC001590294274 1166845037 /nfs/dbraw/zinc/84/50/37/1166845037.db2.gz ZVJBJKBKLDLHAZ-KOLCDFICSA-N -1 3 314.353 0.159 20 30 DCEDHM CCC[C@H](C#N)NS(=O)(=O)c1cnc(C)c(-c2nnn[n-]2)c1 ZINC001590538735 1166940615 /nfs/dbraw/zinc/94/06/15/1166940615.db2.gz MHIJZOJUWWUOKW-SECBINFHSA-N -1 3 321.366 0.541 20 30 DCEDHM CCC[C@H](C#N)NS(=O)(=O)c1cnc(C)c(-c2nn[n-]n2)c1 ZINC001590538735 1166940622 /nfs/dbraw/zinc/94/06/22/1166940622.db2.gz MHIJZOJUWWUOKW-SECBINFHSA-N -1 3 321.366 0.541 20 30 DCEDHM CCN(CC#N)[C@H](C)CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001590679780 1166968817 /nfs/dbraw/zinc/96/88/17/1166968817.db2.gz KUJZBUWLLGWMED-SECBINFHSA-N -1 3 302.342 0.159 20 30 DCEDHM CCN(CC#N)[C@H](C)CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001590679780 1166968829 /nfs/dbraw/zinc/96/88/29/1166968829.db2.gz KUJZBUWLLGWMED-SECBINFHSA-N -1 3 302.342 0.159 20 30 DCEDHM CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001590680984 1166971508 /nfs/dbraw/zinc/97/15/08/1166971508.db2.gz OCRHPJMBBRANNB-SECBINFHSA-N -1 3 321.366 0.432 20 30 DCEDHM CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001590680984 1166971514 /nfs/dbraw/zinc/97/15/14/1166971514.db2.gz OCRHPJMBBRANNB-SECBINFHSA-N -1 3 321.366 0.432 20 30 DCEDHM CN(CCNc1ccc(-c2nnn[n-]2)nc1)C(=O)C#CC1CC1 ZINC001591104982 1167106630 /nfs/dbraw/zinc/10/66/30/1167106630.db2.gz NGEKQOZXQIVAHB-UHFFFAOYSA-N -1 3 311.349 0.545 20 30 DCEDHM CN(CCNc1ccc(-c2nn[n-]n2)nc1)C(=O)C#CC1CC1 ZINC001591104982 1167106633 /nfs/dbraw/zinc/10/66/33/1167106633.db2.gz NGEKQOZXQIVAHB-UHFFFAOYSA-N -1 3 311.349 0.545 20 30 DCEDHM COC[C@@H](OC)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001591384368 1167256077 /nfs/dbraw/zinc/25/60/77/1167256077.db2.gz VZBGZWUQLRXZGF-LLVKDONJSA-N -1 3 302.294 0.338 20 30 DCEDHM COC[C@@H](OC)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001591384368 1167256084 /nfs/dbraw/zinc/25/60/84/1167256084.db2.gz VZBGZWUQLRXZGF-LLVKDONJSA-N -1 3 302.294 0.338 20 30 DCEDHM COc1cc(C=NN[C@H]2CCCOC2)ccc1-c1nnn[n-]1 ZINC001591522100 1167322352 /nfs/dbraw/zinc/32/23/52/1167322352.db2.gz AGBYBRUOKJSIBI-NSHDSACASA-N -1 3 302.338 0.978 20 30 DCEDHM COc1cc(C=NN[C@H]2CCCOC2)ccc1-c1nn[n-]n1 ZINC001591522100 1167322359 /nfs/dbraw/zinc/32/23/59/1167322359.db2.gz AGBYBRUOKJSIBI-NSHDSACASA-N -1 3 302.338 0.978 20 30 DCEDHM Cc1c(C(=O)C=Cc2cnn(C)n2)c(-c2nnn[n-]2)c2n1CCC2 ZINC001591801736 1167383044 /nfs/dbraw/zinc/38/30/44/1167383044.db2.gz LVKGUVFRTQSCTB-WAYWQWQTSA-N -1 3 324.348 0.947 20 30 DCEDHM Cc1c(C(=O)C=Cc2cnn(C)n2)c(-c2nn[n-]n2)c2n1CCC2 ZINC001591801736 1167383047 /nfs/dbraw/zinc/38/30/47/1167383047.db2.gz LVKGUVFRTQSCTB-WAYWQWQTSA-N -1 3 324.348 0.947 20 30 DCEDHM Cc1ccc(S(=O)(=O)N(C)C[C@@H](C)C#N)c(-c2nnn[n-]2)c1 ZINC001592189072 1167474036 /nfs/dbraw/zinc/47/40/36/1167474036.db2.gz UEILPTPASYVKKQ-JTQLQIEISA-N -1 3 320.378 0.955 20 30 DCEDHM Cc1ccc(S(=O)(=O)N(C)C[C@@H](C)C#N)c(-c2nn[n-]n2)c1 ZINC001592189072 1167474038 /nfs/dbraw/zinc/47/40/38/1167474038.db2.gz UEILPTPASYVKKQ-JTQLQIEISA-N -1 3 320.378 0.955 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1nnc(C2CCC2)n1C ZINC001592339846 1167494900 /nfs/dbraw/zinc/49/49/00/1167494900.db2.gz JTZALUHXZMJJGW-UHFFFAOYSA-N -1 3 324.352 0.688 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1nnc(C2CCC2)n1C ZINC001592339846 1167494902 /nfs/dbraw/zinc/49/49/02/1167494902.db2.gz JTZALUHXZMJJGW-UHFFFAOYSA-N -1 3 324.352 0.688 20 30 DCEDHM N#C[C@@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NCCCO ZINC001592666886 1167591067 /nfs/dbraw/zinc/59/10/67/1167591067.db2.gz SFIBXCIFMOJEMK-GFCCVEGCSA-N -1 3 300.322 0.048 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CCOCC1 ZINC001592664759 1167592272 /nfs/dbraw/zinc/59/22/72/1167592272.db2.gz IICVCKTXBPBMDE-ZDUSSCGKSA-N -1 3 312.333 0.408 20 30 DCEDHM N#C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)ccc2F)CCO1 ZINC001592671859 1167593475 /nfs/dbraw/zinc/59/34/75/1167593475.db2.gz QHHQYXCYHMZUEK-SECBINFHSA-N -1 3 302.269 0.370 20 30 DCEDHM N#C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)ccc2F)CCO1 ZINC001592671859 1167593483 /nfs/dbraw/zinc/59/34/83/1167593483.db2.gz QHHQYXCYHMZUEK-SECBINFHSA-N -1 3 302.269 0.370 20 30 DCEDHM N#CCCCS(=O)(=O)NCc1ccc(-c2nnn[n-]2)s1 ZINC001592676128 1167597374 /nfs/dbraw/zinc/59/73/74/1167597374.db2.gz AQQKVPNPJPHJRP-UHFFFAOYSA-N -1 3 312.380 0.651 20 30 DCEDHM N#CCCCNC(=O)N[C@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592676235 1167597558 /nfs/dbraw/zinc/59/75/58/1167597558.db2.gz HOVMDYJYZUJJKH-ZDUSSCGKSA-N -1 3 311.349 0.937 20 30 DCEDHM N#CCCCNC(=O)N[C@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592676235 1167597566 /nfs/dbraw/zinc/59/75/66/1167597566.db2.gz HOVMDYJYZUJJKH-ZDUSSCGKSA-N -1 3 311.349 0.937 20 30 DCEDHM N#CCNCC[C@@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001592678606 1167598389 /nfs/dbraw/zinc/59/83/89/1167598389.db2.gz DOZHVICTLLHLBJ-SNVBAGLBSA-N -1 3 314.353 0.160 20 30 DCEDHM N#CCNCC[C@@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001592678606 1167598394 /nfs/dbraw/zinc/59/83/94/1167598394.db2.gz DOZHVICTLLHLBJ-SNVBAGLBSA-N -1 3 314.353 0.160 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCC(O)(CO)CC1 ZINC001592698800 1167605149 /nfs/dbraw/zinc/60/51/49/1167605149.db2.gz IPRNPYOMGFWIBQ-UHFFFAOYSA-N -1 3 300.322 0.062 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCC(O)(CO)CC1 ZINC001592698800 1167605153 /nfs/dbraw/zinc/60/51/53/1167605153.db2.gz IPRNPYOMGFWIBQ-UHFFFAOYSA-N -1 3 300.322 0.062 20 30 DCEDHM N#Cc1ccccc1OCC(=O)n1ncc(-c2nnn[n-]2)c1N ZINC001592701298 1167605673 /nfs/dbraw/zinc/60/56/73/1167605673.db2.gz FMZMCJISJALEMY-UHFFFAOYSA-N -1 3 310.277 0.236 20 30 DCEDHM N#Cc1nc(NCc2nnc(C3CC3)[nH]2)cnc1-c1nnn[n-]1 ZINC001592707538 1167607028 /nfs/dbraw/zinc/60/70/28/1167607028.db2.gz KPUYVLDZCXAXFF-UHFFFAOYSA-N -1 3 309.297 0.136 20 30 DCEDHM N#Cc1nc(N)n(Cc2nccn2C(F)F)c1-c1nnn[n-]1 ZINC001592705068 1167607852 /nfs/dbraw/zinc/60/78/52/1167607852.db2.gz UJOZYKNHPNWQNO-UHFFFAOYSA-N -1 3 306.240 0.157 20 30 DCEDHM N#Cc1nc(N)n(Cc2nccn2C(F)F)c1-c1nn[n-]n1 ZINC001592705068 1167607855 /nfs/dbraw/zinc/60/78/55/1167607855.db2.gz UJOZYKNHPNWQNO-UHFFFAOYSA-N -1 3 306.240 0.157 20 30 DCEDHM N#Cc1ncn(CCNc2ncc(-c3nnn[n-]3)cc2Cl)n1 ZINC001592709363 1167609449 /nfs/dbraw/zinc/60/94/49/1167609449.db2.gz CPHRKRVPUSXQRA-UHFFFAOYSA-N -1 3 316.716 0.490 20 30 DCEDHM N#Cc1ncn(CCNc2ncc(-c3nn[n-]n3)cc2Cl)n1 ZINC001592709363 1167609452 /nfs/dbraw/zinc/60/94/52/1167609452.db2.gz CPHRKRVPUSXQRA-UHFFFAOYSA-N -1 3 316.716 0.490 20 30 DCEDHM O=C(C#CC1CC1)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001592767815 1167640772 /nfs/dbraw/zinc/64/07/72/1167640772.db2.gz MQEPKRNDUMFGKP-GFCCVEGCSA-N -1 3 323.360 0.370 20 30 DCEDHM O=C(C#CC1CC1)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001592767815 1167640775 /nfs/dbraw/zinc/64/07/75/1167640775.db2.gz MQEPKRNDUMFGKP-GFCCVEGCSA-N -1 3 323.360 0.370 20 30 DCEDHM O=C(NCC#CCO)c1cc(-c2cccc(-c3nnn[n-]3)c2)no1 ZINC001593002953 1167684129 /nfs/dbraw/zinc/68/41/29/1167684129.db2.gz ASSABBYZYOBZCO-UHFFFAOYSA-N -1 3 324.300 0.247 20 30 DCEDHM O=C(NCC#CCO)c1cc(-c2cccc(-c3nn[n-]n3)c2)no1 ZINC001593002953 1167684132 /nfs/dbraw/zinc/68/41/32/1167684132.db2.gz ASSABBYZYOBZCO-UHFFFAOYSA-N -1 3 324.300 0.247 20 30 DCEDHM O=S1(=O)CCCC(N=Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001593463603 1167854232 /nfs/dbraw/zinc/85/42/32/1167854232.db2.gz JOXGRMDDFHSIHQ-UHFFFAOYSA-N -1 3 321.366 0.628 20 30 DCEDHM O=S1(=O)CCCC(N=Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001593463603 1167854241 /nfs/dbraw/zinc/85/42/41/1167854241.db2.gz JOXGRMDDFHSIHQ-UHFFFAOYSA-N -1 3 321.366 0.628 20 30 DCEDHM Cc1nsc(NC(=O)N2CCN(C)C[C@@H](C(=O)[O-])C2)c1C#N ZINC001600819757 1168476844 /nfs/dbraw/zinc/47/68/44/1168476844.db2.gz LFRHISIROOHDDY-SECBINFHSA-N -1 3 323.378 0.803 20 30 DCEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cn1)[C@H]1CCCO1 ZINC001602689994 1169160410 /nfs/dbraw/zinc/16/04/10/1169160410.db2.gz XYCIPAYNQMSOJJ-GHMZBOCLSA-N -1 3 313.321 0.564 20 30 DCEDHM C#C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cn1)[C@H]1CCCO1 ZINC001602689994 1169160418 /nfs/dbraw/zinc/16/04/18/1169160418.db2.gz XYCIPAYNQMSOJJ-GHMZBOCLSA-N -1 3 313.321 0.564 20 30 DCEDHM C#CC[C@H](CO)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC001602696920 1169162254 /nfs/dbraw/zinc/16/22/54/1169162254.db2.gz HMDGCTBRLXNAQO-CMPLNLGQSA-N -1 3 315.333 0.134 20 30 DCEDHM C#C[C@@H](NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1)C(C)C ZINC001602691156 1169162994 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DCEDHM C=C(CCC(=O)OC)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC001602767202 1169180839 /nfs/dbraw/zinc/18/08/39/1169180839.db2.gz CAXODVTWXYTZEU-UHFFFAOYSA-N -1 3 315.333 0.992 20 30 DCEDHM C=C(CCC(=O)OC)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001602767202 1169180842 /nfs/dbraw/zinc/18/08/42/1169180842.db2.gz CAXODVTWXYTZEU-UHFFFAOYSA-N -1 3 315.333 0.992 20 30 DCEDHM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001602807582 1169187028 /nfs/dbraw/zinc/18/70/28/1169187028.db2.gz MLFVWUWRNYFRKR-NSHDSACASA-N -1 3 320.378 0.991 20 30 DCEDHM C=C[C@H]1CCCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001602807582 1169187034 /nfs/dbraw/zinc/18/70/34/1169187034.db2.gz MLFVWUWRNYFRKR-NSHDSACASA-N -1 3 320.378 0.991 20 30 DCEDHM C=CCOC[C@@H](NCc1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC001602872346 1169196727 /nfs/dbraw/zinc/19/67/27/1169196727.db2.gz YKAMKEVLDGPRQL-CYBMUJFWSA-N -1 3 317.349 0.701 20 30 DCEDHM C=CCOC[C@@H](NCc1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC001602872346 1169196736 /nfs/dbraw/zinc/19/67/36/1169196736.db2.gz 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ZINC001589779609 1166686515 /nfs/dbraw/zinc/68/65/15/1166686515.db2.gz NYEJAJYWRBVQAV-UHFFFAOYSA-N -1 3 300.286 0.072 20 30 DCEDHM CC(C)c1noc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)n1 ZINC001589779609 1166686517 /nfs/dbraw/zinc/68/65/17/1166686517.db2.gz NYEJAJYWRBVQAV-UHFFFAOYSA-N -1 3 300.286 0.072 20 30 DCEDHM C[C@@H](CC#N)NC(=O)C(=O)Nc1sccc1-c1nnn[n-]1 ZINC001589786760 1166687549 /nfs/dbraw/zinc/68/75/49/1166687549.db2.gz BXXIMBSJGDZPBU-LURJTMIESA-N -1 3 305.323 0.285 20 30 DCEDHM C[C@H](NCC#N)[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001589955836 1166731072 /nfs/dbraw/zinc/73/10/72/1166731072.db2.gz NADRCVCMABOXBF-UWVGGRQHSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@H](NCC#N)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001589955836 1166731079 /nfs/dbraw/zinc/73/10/79/1166731079.db2.gz NADRCVCMABOXBF-UWVGGRQHSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)CN1CC#N ZINC001590235322 1166822834 /nfs/dbraw/zinc/82/28/34/1166822834.db2.gz NSCCHEQYICKQSC-GXSJLCMTSA-N -1 3 314.353 0.301 20 30 DCEDHM C[C@H]1CC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)CN1CC#N ZINC001590235322 1166822847 /nfs/dbraw/zinc/82/28/47/1166822847.db2.gz NSCCHEQYICKQSC-GXSJLCMTSA-N -1 3 314.353 0.301 20 30 DCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H](C)N1CC#N ZINC001590293686 1166842892 /nfs/dbraw/zinc/84/28/92/1166842892.db2.gz IRUIPCQZJBDEDX-AOOOYVTPSA-N -1 3 314.353 0.253 20 30 DCEDHM C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H](C)N1CC#N ZINC001590293686 1166842897 /nfs/dbraw/zinc/84/28/97/1166842897.db2.gz IRUIPCQZJBDEDX-AOOOYVTPSA-N -1 3 314.353 0.253 20 30 DCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H](C)N1CC#N ZINC001590296014 1166845455 /nfs/dbraw/zinc/84/54/55/1166845455.db2.gz ZHCXAOIWVBEVQI-AOOOYVTPSA-N -1 3 314.353 0.253 20 30 DCEDHM C[C@@H]1CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C[C@H](C)N1CC#N ZINC001590296014 1166845465 /nfs/dbraw/zinc/84/54/65/1166845465.db2.gz ZHCXAOIWVBEVQI-AOOOYVTPSA-N -1 3 314.353 0.253 20 30 DCEDHM C[C@@H]1OCC[C@]1(O)CNc1c(C#N)cccc1-c1nnn[n-]1 ZINC001590333107 1166870912 /nfs/dbraw/zinc/87/09/12/1166870912.db2.gz CDCQUVXOSQMHAH-XPTSAGLGSA-N -1 3 300.322 0.690 20 30 DCEDHM C[C@@H]1OCC[C@]1(O)CNc1c(C#N)cccc1-c1nn[n-]n1 ZINC001590333107 1166870922 /nfs/dbraw/zinc/87/09/22/1166870922.db2.gz CDCQUVXOSQMHAH-XPTSAGLGSA-N -1 3 300.322 0.690 20 30 DCEDHM CC[C@@H](C#N)N(C)S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590367944 1166890521 /nfs/dbraw/zinc/89/05/21/1166890521.db2.gz PKYSJEGGQSDBBL-VIFPVBQESA-N -1 3 307.339 0.184 20 30 DCEDHM CC[C@@H](C#N)N(C)S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590367944 1166890528 /nfs/dbraw/zinc/89/05/28/1166890528.db2.gz PKYSJEGGQSDBBL-VIFPVBQESA-N -1 3 307.339 0.184 20 30 DCEDHM CC[C@@H](CC#N)NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590420488 1166903610 /nfs/dbraw/zinc/90/36/10/1166903610.db2.gz YQNGLXHTAAJOOP-NWDGAFQWSA-N -1 3 300.322 0.709 20 30 DCEDHM CC[C@@H](CC#N)NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590420488 1166903616 /nfs/dbraw/zinc/90/36/16/1166903616.db2.gz YQNGLXHTAAJOOP-NWDGAFQWSA-N -1 3 300.322 0.709 20 30 DCEDHM CN(C)c1cc(Cn2c(N)nc(C#N)c2-c2nnn[n-]2)ccn1 ZINC001591028759 1167086496 /nfs/dbraw/zinc/08/64/96/1167086496.db2.gz JHBAQJUEHUROLN-UHFFFAOYSA-N -1 3 310.325 0.026 20 30 DCEDHM CN(C)c1cc(Cn2c(N)nc(C#N)c2-c2nn[n-]n2)ccn1 ZINC001591028759 1167086506 /nfs/dbraw/zinc/08/65/06/1167086506.db2.gz JHBAQJUEHUROLN-UHFFFAOYSA-N -1 3 310.325 0.026 20 30 DCEDHM CNC(=O)[C@@H](C#N)C(=O)[C@H](C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591198143 1167148356 /nfs/dbraw/zinc/14/83/56/1167148356.db2.gz GZVINAXKPYCKHA-SKDRFNHKSA-N -1 3 312.333 0.500 20 30 DCEDHM COCCN(CC#N)Cc1c(-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC001591422068 1167277046 /nfs/dbraw/zinc/27/70/46/1167277046.db2.gz TVFKUZXZUYGBPQ-UHFFFAOYSA-N -1 3 317.309 0.747 20 30 DCEDHM COCCN(CC#N)Cc1c(-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC001591422068 1167277056 /nfs/dbraw/zinc/27/70/56/1167277056.db2.gz TVFKUZXZUYGBPQ-UHFFFAOYSA-N -1 3 317.309 0.747 20 30 DCEDHM COCc1cc(-c2nn[n-]n2)ccc1N1CCO[C@H](C#N)C1 ZINC001591455281 1167294494 /nfs/dbraw/zinc/29/44/94/1167294494.db2.gz VJXRXTNYNGWCGV-GFCCVEGCSA-N -1 3 300.322 0.742 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1CC(=O)c1cc(C)ccn1 ZINC001592271194 1167480971 /nfs/dbraw/zinc/48/09/71/1167480971.db2.gz UPZFZWFDGDRBRS-UHFFFAOYSA-N -1 3 308.305 0.830 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1CC(=O)c1cc(C)ccn1 ZINC001592271194 1167480974 /nfs/dbraw/zinc/48/09/74/1167480974.db2.gz UPZFZWFDGDRBRS-UHFFFAOYSA-N -1 3 308.305 0.830 20 30 DCEDHM Cc1csc(NC(=O)N2CCO[C@@H](C#N)C2)c1-c1nnn[n-]1 ZINC001592318015 1167487749 /nfs/dbraw/zinc/48/77/49/1167487749.db2.gz MIJBJLJKCDBKGI-QMMMGPOBSA-N -1 3 319.350 0.993 20 30 DCEDHM Cc1csc(NC(=O)N2CCO[C@@H](C#N)C2)c1-c1nn[n-]n1 ZINC001592318015 1167487752 /nfs/dbraw/zinc/48/77/52/1167487752.db2.gz MIJBJLJKCDBKGI-QMMMGPOBSA-N -1 3 319.350 0.993 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC001592341282 1167495588 /nfs/dbraw/zinc/49/55/88/1167495588.db2.gz VKRIZZPPFYOGTA-ATZCPNFKSA-N -1 3 301.310 0.047 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC001592341282 1167495592 /nfs/dbraw/zinc/49/55/92/1167495592.db2.gz VKRIZZPPFYOGTA-ATZCPNFKSA-N -1 3 301.310 0.047 20 30 DCEDHM Cc1nc(C(=O)N2CC[C@@](F)(C#N)C2)ccc1-c1nnn[n-]1 ZINC001592342551 1167498456 /nfs/dbraw/zinc/49/84/56/1167498456.db2.gz NCEYUHYWDLKPME-CYBMUJFWSA-N -1 3 301.285 0.648 20 30 DCEDHM Cc1nc(C(=O)N2CC[C@@](F)(C#N)C2)ccc1-c1nn[n-]n1 ZINC001592342551 1167498458 /nfs/dbraw/zinc/49/84/58/1167498458.db2.gz NCEYUHYWDLKPME-CYBMUJFWSA-N -1 3 301.285 0.648 20 30 DCEDHM Cc1nc2n(n1)CCN(c1c(C#N)cccc1-c1nnn[n-]1)C2 ZINC001592405406 1167515560 /nfs/dbraw/zinc/51/55/60/1167515560.db2.gz UQSYODLUDGAAMZ-UHFFFAOYSA-N -1 3 307.321 0.659 20 30 DCEDHM Cc1nc2n(n1)CCN(c1c(C#N)cccc1-c1nn[n-]n1)C2 ZINC001592405406 1167515563 /nfs/dbraw/zinc/51/55/63/1167515563.db2.gz UQSYODLUDGAAMZ-UHFFFAOYSA-N -1 3 307.321 0.659 20 30 DCEDHM Cn1ncc(C=[NH+][N-]c2cc(-c3nnn[n-]3)cc(Cl)n2)c1N ZINC001592600564 1167579524 /nfs/dbraw/zinc/57/95/24/1167579524.db2.gz MAFFZZCJLJEVBN-UHFFFAOYSA-N -1 3 318.732 0.677 20 30 DCEDHM Cn1ncc(C=[NH+][N-]c2cc(-c3nn[n-]n3)cc(Cl)n2)c1N ZINC001592600564 1167579531 /nfs/dbraw/zinc/57/95/31/1167579531.db2.gz MAFFZZCJLJEVBN-UHFFFAOYSA-N -1 3 318.732 0.677 20 30 DCEDHM N#CC1(CNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001592668083 1167591087 /nfs/dbraw/zinc/59/10/87/1167591087.db2.gz DRDYICYVYYNUGW-UHFFFAOYSA-N -1 3 311.305 0.225 20 30 DCEDHM N#CC1(CNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001592668083 1167591090 /nfs/dbraw/zinc/59/10/90/1167591090.db2.gz DRDYICYVYYNUGW-UHFFFAOYSA-N -1 3 311.305 0.225 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1CC[C@H]1O ZINC001592666839 1167591355 /nfs/dbraw/zinc/59/13/55/1167591355.db2.gz RNORVRRLHVPQPO-YNEHKIRRSA-N -1 3 312.333 0.188 20 30 DCEDHM N#Cc1cccnc1NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001592703109 1167604718 /nfs/dbraw/zinc/60/47/18/1167604718.db2.gz RUZRBELCSCSPCP-UHFFFAOYSA-N -1 3 310.325 0.483 20 30 DCEDHM Nc1n[nH]c(CCCN=Cc2ccccc2O)c1-c1nnn[n-]1 ZINC001592752098 1167632164 /nfs/dbraw/zinc/63/21/64/1167632164.db2.gz NFMZKDDQMWPVSS-LZYBPNLTSA-N -1 3 312.337 0.929 20 30 DCEDHM Nc1c(-c2nnn[n-]2)cnn1C(=O)C#Cc1ccc2c(c1)OCO2 ZINC001592754377 1167633768 /nfs/dbraw/zinc/63/37/68/1167633768.db2.gz MOKQHDARSYZBJT-UHFFFAOYSA-N -1 3 323.272 0.066 20 30 DCEDHM N#CC1(c2ccccn2)CCN(CCC(=O)NCC(=O)[O-])CC1 ZINC001601059219 1168579434 /nfs/dbraw/zinc/57/94/34/1168579434.db2.gz WQJASVIUDZCQFH-UHFFFAOYSA-N -1 3 316.361 0.530 20 30 DCEDHM C#CC[C@H](CO)NC(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602697519 1169163988 /nfs/dbraw/zinc/16/39/88/1169163988.db2.gz NWQYRMLLVCFWMY-SECBINFHSA-N -1 3 304.285 0.512 20 30 DCEDHM C#CC[C@H](CO)NC(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602697519 1169163997 /nfs/dbraw/zinc/16/39/97/1169163997.db2.gz NWQYRMLLVCFWMY-SECBINFHSA-N -1 3 304.285 0.512 20 30 DCEDHM C#C[C@@H]1COCCN1C(=O)Nc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602697512 1169164415 /nfs/dbraw/zinc/16/44/15/1169164415.db2.gz XAWQUURRRJJUNN-SNVBAGLBSA-N -1 3 316.296 0.872 20 30 DCEDHM C#C[C@@H]1COCCN1C(=O)Nc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602697512 1169164421 /nfs/dbraw/zinc/16/44/21/1169164421.db2.gz XAWQUURRRJJUNN-SNVBAGLBSA-N -1 3 316.296 0.872 20 30 DCEDHM C=CC[C@H](CO)NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602816482 1169188816 /nfs/dbraw/zinc/18/88/16/1169188816.db2.gz OVVNMFGIDZFEIK-SNVBAGLBSA-N -1 3 303.322 0.542 20 30 DCEDHM C=CC[C@H](CO)NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602816482 1169188819 /nfs/dbraw/zinc/18/88/19/1169188819.db2.gz OVVNMFGIDZFEIK-SNVBAGLBSA-N -1 3 303.322 0.542 20 30 DCEDHM C=CCC[C@@H](CO)NC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001602833768 1169190095 /nfs/dbraw/zinc/19/00/95/1169190095.db2.gz VLPKSPRWCUCVHA-LBPRGKRZSA-N -1 3 317.349 0.689 20 30 DCEDHM C=CCC[C@@H](CO)NC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001602833768 1169190099 /nfs/dbraw/zinc/19/00/99/1169190099.db2.gz VLPKSPRWCUCVHA-LBPRGKRZSA-N -1 3 317.349 0.689 20 30 DCEDHM 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C#CC[C@@H](COC)OC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588334001 1166532787 /nfs/dbraw/zinc/53/27/87/1166532787.db2.gz LFGPJAIOHWSDJT-JTQLQIEISA-N -1 3 301.306 0.765 20 30 DCEDHM C#CC[C@@H](COC)OC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588334001 1166532794 /nfs/dbraw/zinc/53/27/94/1166532794.db2.gz LFGPJAIOHWSDJT-JTQLQIEISA-N -1 3 301.306 0.765 20 30 DCEDHM C#CCCS(=O)(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001588346853 1166537265 /nfs/dbraw/zinc/53/72/65/1166537265.db2.gz ACVMCQZZYTVQTI-CYBMUJFWSA-N -1 3 317.374 0.277 20 30 DCEDHM C#CCCS(=O)(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001588346853 1166537269 /nfs/dbraw/zinc/53/72/69/1166537269.db2.gz ACVMCQZZYTVQTI-CYBMUJFWSA-N -1 3 317.374 0.277 20 30 DCEDHM C#CCN(C)c1nnc(COc2ccc(-c3nn[n-]n3)cc2)n1C ZINC001588350027 1166541748 /nfs/dbraw/zinc/54/17/48/1166541748.db2.gz YYWIVBKISIFZCR-UHFFFAOYSA-N -1 3 324.348 0.644 20 30 DCEDHM C#CCN(C)C(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC001588349730 1166542020 /nfs/dbraw/zinc/54/20/20/1166542020.db2.gz XCIDTUDPQMMMKF-UHFFFAOYSA-N -1 3 318.724 0.550 20 30 DCEDHM C#CCN(C)C(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC001588349730 1166542028 /nfs/dbraw/zinc/54/20/28/1166542028.db2.gz XCIDTUDPQMMMKF-UHFFFAOYSA-N -1 3 318.724 0.550 20 30 DCEDHM C#CCN(CC#N)CCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588350301 1166542070 /nfs/dbraw/zinc/54/20/70/1166542070.db2.gz NVLYFLMMPAVGGV-UHFFFAOYSA-N -1 3 309.333 0.654 20 30 DCEDHM C#CCN(CC#N)CCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588350301 1166542077 /nfs/dbraw/zinc/54/20/77/1166542077.db2.gz NVLYFLMMPAVGGV-UHFFFAOYSA-N -1 3 309.333 0.654 20 30 DCEDHM C#CCNC(=O)COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC001588353679 1166544184 /nfs/dbraw/zinc/54/41/84/1166544184.db2.gz AWPBZBNUVFNNLU-UHFFFAOYSA-N -1 3 313.317 0.092 20 30 DCEDHM C#CCNC(=O)COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC001588353679 1166544190 /nfs/dbraw/zinc/54/41/90/1166544190.db2.gz AWPBZBNUVFNNLU-UHFFFAOYSA-N -1 3 313.317 0.092 20 30 DCEDHM C#CCN1CCN(C(=O)c2cscc2-c2nnn[n-]2)CC1 ZINC001588353272 1166544761 /nfs/dbraw/zinc/54/47/61/1166544761.db2.gz MLEAINNKBBVCAE-UHFFFAOYSA-N -1 3 302.363 0.319 20 30 DCEDHM C#CCN1CCN(C(=O)c2cscc2-c2nn[n-]n2)CC1 ZINC001588353272 1166544765 /nfs/dbraw/zinc/54/47/65/1166544765.db2.gz MLEAINNKBBVCAE-UHFFFAOYSA-N -1 3 302.363 0.319 20 30 DCEDHM C#CCO[C@H](C)C(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1 ZINC001588360219 1166546029 /nfs/dbraw/zinc/54/60/29/1166546029.db2.gz LIWNKUIKVMWXJE-MRVPVSSYSA-N -1 3 302.294 0.247 20 30 DCEDHM C(=NNCCCn1ccnc1)c1nc(-c2nn[n-]n2)cs1 ZINC001588381968 1166549250 /nfs/dbraw/zinc/54/92/50/1166549250.db2.gz YPWSJHFGYLUFFN-UHFFFAOYSA-N -1 3 303.355 0.534 20 30 DCEDHM C=CC(C)(C)NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588487704 1166557190 /nfs/dbraw/zinc/55/71/90/1166557190.db2.gz APSLTXBVHFTCQG-UHFFFAOYSA-N -1 3 314.349 0.677 20 30 DCEDHM C=CC(C)(C)NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588487704 1166557194 /nfs/dbraw/zinc/55/71/94/1166557194.db2.gz APSLTXBVHFTCQG-UHFFFAOYSA-N -1 3 314.349 0.677 20 30 DCEDHM C=CCCC(=O)N(C)CCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588561845 1166561551 /nfs/dbraw/zinc/56/15/51/1166561551.db2.gz DFUHCGPDVAFWPW-UHFFFAOYSA-N -1 3 317.353 0.349 20 30 DCEDHM C=CCCC(=O)N(C)CCNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588561845 1166561554 /nfs/dbraw/zinc/56/15/54/1166561554.db2.gz DFUHCGPDVAFWPW-UHFFFAOYSA-N -1 3 317.353 0.349 20 30 DCEDHM C=CCCC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001588569936 1166563180 /nfs/dbraw/zinc/56/31/80/1166563180.db2.gz HLCRPXGXOJXJJU-LLVKDONJSA-N -1 3 317.353 0.117 20 30 DCEDHM C=CCCC(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001588569936 1166563183 /nfs/dbraw/zinc/56/31/83/1166563183.db2.gz HLCRPXGXOJXJJU-LLVKDONJSA-N -1 3 317.353 0.117 20 30 DCEDHM C=CCN(CC(=O)OCC)C(=O)c1ccc(-c2nnn[n-]2)n1C ZINC001588628442 1166571625 /nfs/dbraw/zinc/57/16/25/1166571625.db2.gz ZDKMTGQBYSVNSN-UHFFFAOYSA-N -1 3 318.337 0.397 20 30 DCEDHM C=CCN(CC(=O)OCC)C(=O)c1ccc(-c2nn[n-]n2)n1C ZINC001588628442 1166571629 /nfs/dbraw/zinc/57/16/29/1166571629.db2.gz ZDKMTGQBYSVNSN-UHFFFAOYSA-N -1 3 318.337 0.397 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1cc(-c2nnn[n-]2)ccn1 ZINC001588658935 1166575682 /nfs/dbraw/zinc/57/56/82/1166575682.db2.gz FNYXHYTVUWHJAK-QMMMGPOBSA-N -1 3 302.294 0.109 20 30 DCEDHM C=CCNC(=O)[C@H](C)OC(=O)c1cc(-c2nn[n-]n2)ccn1 ZINC001588658935 1166575686 /nfs/dbraw/zinc/57/56/86/1166575686.db2.gz FNYXHYTVUWHJAK-QMMMGPOBSA-N -1 3 302.294 0.109 20 30 DCEDHM C=CCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588659552 1166577647 /nfs/dbraw/zinc/57/76/47/1166577647.db2.gz ONAMWKOHDYUGHJ-SECBINFHSA-N -1 3 321.362 0.331 20 30 DCEDHM C=CCNC(=O)[C@@H](C)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588659552 1166577656 /nfs/dbraw/zinc/57/76/56/1166577656.db2.gz ONAMWKOHDYUGHJ-SECBINFHSA-N -1 3 321.362 0.331 20 30 DCEDHM C=C[C@H](CO)N[C@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1 ZINC001588728174 1166581686 /nfs/dbraw/zinc/58/16/86/1166581686.db2.gz NUYKZTGCIBCZDF-NEPJUHHUSA-N -1 3 303.322 0.217 20 30 DCEDHM C=C[C@H](CO)N[C@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1 ZINC001588728174 1166581689 /nfs/dbraw/zinc/58/16/89/1166581689.db2.gz NUYKZTGCIBCZDF-NEPJUHHUSA-N -1 3 303.322 0.217 20 30 DCEDHM C=C[C@H](CO)NC(=O)Nc1cc(OC)c(-c2nnn[n-]2)cc1F ZINC001588728446 1166582185 /nfs/dbraw/zinc/58/21/85/1166582185.db2.gz QOJQBBBBYNMFHZ-SSDOTTSWSA-N -1 3 322.300 0.683 20 30 DCEDHM C=C[C@H](CO)NC(=O)Nc1cc(OC)c(-c2nn[n-]n2)cc1F ZINC001588728446 1166582189 /nfs/dbraw/zinc/58/21/89/1166582189.db2.gz QOJQBBBBYNMFHZ-SSDOTTSWSA-N -1 3 322.300 0.683 20 30 DCEDHM CC#CCN1CC[C@H]1CN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001588747484 1166583526 /nfs/dbraw/zinc/58/35/26/1166583526.db2.gz IOUOTQBTPDLVKE-NSHDSACASA-N -1 3 313.365 0.364 20 30 DCEDHM CC#CCN1CC[C@H]1CN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001588747484 1166583531 /nfs/dbraw/zinc/58/35/31/1166583531.db2.gz IOUOTQBTPDLVKE-NSHDSACASA-N -1 3 313.365 0.364 20 30 DCEDHM CC#CCCNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001588746437 1166585091 /nfs/dbraw/zinc/58/50/91/1166585091.db2.gz RLRCMDBPJUNKKO-UHFFFAOYSA-N -1 3 312.333 0.126 20 30 DCEDHM CC#CCCNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001588746437 1166585095 /nfs/dbraw/zinc/58/50/95/1166585095.db2.gz RLRCMDBPJUNKKO-UHFFFAOYSA-N -1 3 312.333 0.126 20 30 DCEDHM CC#CC[C@H](CO)Nc1nc2ncccc2cc1-c1nnn[n-]1 ZINC001588738344 1166585268 /nfs/dbraw/zinc/58/52/68/1166585268.db2.gz NJWBFIDPYOXQRB-LLVKDONJSA-N -1 3 309.333 0.996 20 30 DCEDHM CC#CC[C@H](CO)Nc1nc2ncccc2cc1-c1nn[n-]n1 ZINC001588738344 1166585274 /nfs/dbraw/zinc/58/52/74/1166585274.db2.gz NJWBFIDPYOXQRB-LLVKDONJSA-N -1 3 309.333 0.996 20 30 DCEDHM CC#CC[C@@H](CO)Nc1nnc(CC)c(CC)c1-c1nnn[n-]1 ZINC001588738918 1166585327 /nfs/dbraw/zinc/58/53/27/1166585327.db2.gz VMSVCMPDDGRAFH-JTQLQIEISA-N -1 3 315.381 0.968 20 30 DCEDHM CC#CC[C@@H](CO)Nc1nnc(CC)c(CC)c1-c1nn[n-]n1 ZINC001588738918 1166585337 /nfs/dbraw/zinc/58/53/37/1166585337.db2.gz VMSVCMPDDGRAFH-JTQLQIEISA-N -1 3 315.381 0.968 20 30 DCEDHM C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC001588930728 1166618724 /nfs/dbraw/zinc/61/87/24/1166618724.db2.gz IZPFRGMRJZJARY-VIFPVBQESA-N -1 3 313.321 0.423 20 30 DCEDHM C[C@@H](C#N)CN(C)C(=O)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001588930728 1166618726 /nfs/dbraw/zinc/61/87/26/1166618726.db2.gz IZPFRGMRJZJARY-VIFPVBQESA-N -1 3 313.321 0.423 20 30 DCEDHM C[C@@H](NCC#N)[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001589959441 1166731137 /nfs/dbraw/zinc/73/11/37/1166731137.db2.gz ZCPSOSPUBAYSHF-NXEZZACHSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@@H](NCC#N)[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001589959441 1166731143 /nfs/dbraw/zinc/73/11/43/1166731143.db2.gz ZCPSOSPUBAYSHF-NXEZZACHSA-N -1 3 314.353 0.159 20 30 DCEDHM C[C@@]1(C#N)CN(c2nc3ncccc3cc2-c2nnn[n-]2)CCO1 ZINC001590057067 1166762349 /nfs/dbraw/zinc/76/23/49/1166762349.db2.gz YPXQENNZTQVIOK-OAHLLOKOSA-N -1 3 322.332 0.929 20 30 DCEDHM C[C@@]1(C#N)CN(c2nc3ncccc3cc2-c2nn[n-]n2)CCO1 ZINC001590057067 1166762353 /nfs/dbraw/zinc/76/23/53/1166762353.db2.gz YPXQENNZTQVIOK-OAHLLOKOSA-N -1 3 322.332 0.929 20 30 DCEDHM C[C@@]1(C#N)CN(C[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC001590056691 1166762718 /nfs/dbraw/zinc/76/27/18/1166762718.db2.gz RACRNBKVOIXWIY-UKRRQHHQSA-N -1 3 314.349 0.515 20 30 DCEDHM C[C@@]1(C#N)CN(C[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC001590056691 1166762720 /nfs/dbraw/zinc/76/27/20/1166762720.db2.gz RACRNBKVOIXWIY-UKRRQHHQSA-N -1 3 314.349 0.515 20 30 DCEDHM CC1(O)CN(C(=O)[C@@H](C#N)Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001590150037 1166790784 /nfs/dbraw/zinc/79/07/84/1166790784.db2.gz KIIMNVVTZZRBPC-GFCCVEGCSA-N -1 3 312.333 0.142 20 30 DCEDHM CC[C@@H](C#N)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001590367211 1166889889 /nfs/dbraw/zinc/88/98/89/1166889889.db2.gz HOZQHFZRGOTLSR-VIFPVBQESA-N -1 3 300.326 0.340 20 30 DCEDHM CC[C@@H](C#N)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001590367211 1166889895 /nfs/dbraw/zinc/88/98/95/1166889895.db2.gz HOZQHFZRGOTLSR-VIFPVBQESA-N -1 3 300.326 0.340 20 30 DCEDHM CCCCCCNC(=O)Cn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001590594596 1166947345 /nfs/dbraw/zinc/94/73/45/1166947345.db2.gz NSQRWZUZQFVKOH-UHFFFAOYSA-N -1 3 317.357 0.214 20 30 DCEDHM CCCCCCNC(=O)Cn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001590594596 1166947347 /nfs/dbraw/zinc/94/73/47/1166947347.db2.gz NSQRWZUZQFVKOH-UHFFFAOYSA-N -1 3 317.357 0.214 20 30 DCEDHM CCCN(CCC)C(=O)Cn1c(N)nc(C#N)c1-c1nnn[n-]1 ZINC001590623721 1166951425 /nfs/dbraw/zinc/95/14/25/1166951425.db2.gz NZDHVOVKBKMPKI-UHFFFAOYSA-N -1 3 317.357 0.166 20 30 DCEDHM CCCN(CCC)C(=O)Cn1c(N)nc(C#N)c1-c1nn[n-]n1 ZINC001590623721 1166951429 /nfs/dbraw/zinc/95/14/29/1166951429.db2.gz NZDHVOVKBKMPKI-UHFFFAOYSA-N -1 3 317.357 0.166 20 30 DCEDHM CCN(C[C@H](C)C#N)S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590680718 1166972006 /nfs/dbraw/zinc/97/20/06/1166972006.db2.gz IPKHWIPTVXBBCX-SECBINFHSA-N -1 3 321.366 0.432 20 30 DCEDHM CCN(C[C@H](C)C#N)S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590680718 1166972012 /nfs/dbraw/zinc/97/20/12/1166972012.db2.gz 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C#CC[C@@H]1NC(=O)N([C@H](C)c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001588337443 1166531855 /nfs/dbraw/zinc/53/18/55/1166531855.db2.gz PSHFWSKQCOCJQG-SKDRFNHKSA-N -1 3 310.317 0.871 20 30 DCEDHM C#CCCCC(=O)NCCNc1ncc(-c2nnn[n-]2)cc1F ZINC001588340311 1166534768 /nfs/dbraw/zinc/53/47/68/1166534768.db2.gz LTXPCOCXORJGAR-UHFFFAOYSA-N -1 3 317.328 0.732 20 30 DCEDHM C#CCCCC(=O)NCCNc1ncc(-c2nn[n-]n2)cc1F ZINC001588340311 1166534774 /nfs/dbraw/zinc/53/47/74/1166534774.db2.gz LTXPCOCXORJGAR-UHFFFAOYSA-N -1 3 317.328 0.732 20 30 DCEDHM C#CC[C@H]1NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2F)C1=O ZINC001588337928 1166535909 /nfs/dbraw/zinc/53/59/09/1166535909.db2.gz YNOQBGSQCDDTCO-LLVKDONJSA-N -1 3 314.280 0.450 20 30 DCEDHM C#CC[C@H]1NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2F)C1=O ZINC001588337928 1166535915 /nfs/dbraw/zinc/53/59/15/1166535915.db2.gz YNOQBGSQCDDTCO-LLVKDONJSA-N -1 3 314.280 0.450 20 30 DCEDHM C#CCCN1CCN(C(=O)c2cc(-c3nn[n-]n3)[nH]c2C)CC1 ZINC001588346679 1166537940 /nfs/dbraw/zinc/53/79/40/1166537940.db2.gz SOUNPJNTIVKVTE-UHFFFAOYSA-N -1 3 313.365 0.284 20 30 DCEDHM C#CCN(CC1CC1)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001588350840 1166541204 /nfs/dbraw/zinc/54/12/04/1166541204.db2.gz SBQDCNXNYFQNJC-UHFFFAOYSA-N -1 3 311.349 0.545 20 30 DCEDHM C#CCN(CC1CC1)C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001588350840 1166541207 /nfs/dbraw/zinc/54/12/07/1166541207.db2.gz SBQDCNXNYFQNJC-UHFFFAOYSA-N -1 3 311.349 0.545 20 30 DCEDHM C#CCO[C@@H](C)C(=O)Nc1cnc(OC)c(-c2nnn[n-]2)c1 ZINC001588360220 1166546954 /nfs/dbraw/zinc/54/69/54/1166546954.db2.gz LIWNKUIKVMWXJE-QMMMGPOBSA-N -1 3 302.294 0.247 20 30 DCEDHM C#CCn1cc(CNC(=O)c2cnccc2-c2nnn[n-]2)cn1 ZINC001588363794 1166550287 /nfs/dbraw/zinc/55/02/87/1166550287.db2.gz BSUQSXDFGUOEAZ-UHFFFAOYSA-N -1 3 308.305 0.021 20 30 DCEDHM C#CCn1cc(CNC(=O)c2cnccc2-c2nn[n-]n2)cn1 ZINC001588363794 1166550292 /nfs/dbraw/zinc/55/02/92/1166550292.db2.gz BSUQSXDFGUOEAZ-UHFFFAOYSA-N -1 3 308.305 0.021 20 30 DCEDHM C=C[C@](C)(O)CC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC001588503704 1166556546 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C=CCC1(O)CN(C(=O)c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001588559975 1166563453 /nfs/dbraw/zinc/56/34/53/1166563453.db2.gz MUZKHJWOBHAMSF-UHFFFAOYSA-N -1 3 320.740 0.678 20 30 DCEDHM C=CCC1(O)CN(C(=O)c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001588559975 1166563458 /nfs/dbraw/zinc/56/34/58/1166563458.db2.gz MUZKHJWOBHAMSF-UHFFFAOYSA-N -1 3 320.740 0.678 20 30 DCEDHM C=CCCCNc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1 ZINC001588600686 1166568459 /nfs/dbraw/zinc/56/84/59/1166568459.db2.gz LFEOOWYSFMCLNU-UHFFFAOYSA-N -1 3 308.367 0.892 20 30 DCEDHM C=CCCCNc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1 ZINC001588600686 1166568471 /nfs/dbraw/zinc/56/84/71/1166568471.db2.gz LFEOOWYSFMCLNU-UHFFFAOYSA-N -1 3 308.367 0.892 20 30 DCEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC(=O)NC ZINC001588640336 1166574805 /nfs/dbraw/zinc/57/48/05/1166574805.db2.gz PJZXBNMPAZOQMC-UHFFFAOYSA-N -1 3 314.349 0.517 20 30 DCEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC(=O)NC ZINC001588640336 1166574808 /nfs/dbraw/zinc/57/48/08/1166574808.db2.gz PJZXBNMPAZOQMC-UHFFFAOYSA-N -1 3 314.349 0.517 20 30 DCEDHM C=CCNC(=O)COC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC001588658755 1166576965 /nfs/dbraw/zinc/57/69/65/1166576965.db2.gz RZTBSKJRCPOKQH-UHFFFAOYSA-N -1 3 317.305 0.091 20 30 DCEDHM C=CCNC(=O)COC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC001588658755 1166576967 /nfs/dbraw/zinc/57/69/67/1166576967.db2.gz RZTBSKJRCPOKQH-UHFFFAOYSA-N -1 3 317.305 0.091 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC001588726131 1166582575 /nfs/dbraw/zinc/58/25/75/1166582575.db2.gz UPPBHEWNJGPVSW-ONGXEEELSA-N -1 3 315.337 0.974 20 30 DCEDHM C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC001588726131 1166582580 /nfs/dbraw/zinc/58/25/80/1166582580.db2.gz UPPBHEWNJGPVSW-ONGXEEELSA-N -1 3 315.337 0.974 20 30 DCEDHM C=C[C@H](CO)NC(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC001588727785 1166582646 /nfs/dbraw/zinc/58/26/46/1166582646.db2.gz IYTMKFOCZHDEKL-BXKDBHETSA-N -1 3 302.338 0.774 20 30 DCEDHM C=C[C@H](CO)NC(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC001588727785 1166582649 /nfs/dbraw/zinc/58/26/49/1166582649.db2.gz IYTMKFOCZHDEKL-BXKDBHETSA-N -1 3 302.338 0.774 20 30 DCEDHM CC#CC[C@H](CO)NC(=O)c1cc(C)c(-c2nnn[n-]2)cn1 ZINC001588737840 1166583747 /nfs/dbraw/zinc/58/37/47/1166583747.db2.gz JCFIZPWCKFZZQV-SNVBAGLBSA-N -1 3 300.322 0.074 20 30 DCEDHM CC#CC[C@H](CO)NC(=O)c1cc(C)c(-c2nn[n-]n2)cn1 ZINC001588737840 1166583755 /nfs/dbraw/zinc/58/37/55/1166583755.db2.gz JCFIZPWCKFZZQV-SNVBAGLBSA-N -1 3 300.322 0.074 20 30 DCEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NCC(=O)NCCC#N ZINC001588895117 1166615755 /nfs/dbraw/zinc/61/57/55/1166615755.db2.gz VKJOLLGEAGTDRZ-UHFFFAOYSA-N -1 3 313.321 0.511 20 30 DCEDHM C[C@H](C#N)C(=O)NCCCN(C)c1ncccc1-c1nnn[n-]1 ZINC001588929334 1166619620 /nfs/dbraw/zinc/61/96/20/1166619620.db2.gz ZUJSMIIGMAVBIA-SNVBAGLBSA-N -1 3 314.353 0.364 20 30 DCEDHM C[C@H](C#N)C(=O)NCCCN(C)c1ncccc1-c1nn[n-]n1 ZINC001588929334 1166619625 /nfs/dbraw/zinc/61/96/25/1166619625.db2.gz ZUJSMIIGMAVBIA-SNVBAGLBSA-N -1 3 314.353 0.364 20 30 DCEDHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1)NCC#N ZINC001589797741 1166690721 /nfs/dbraw/zinc/69/07/21/1166690721.db2.gz GLMDSLIRLFXKJL-BDAKNGLRSA-N -1 3 302.342 0.205 20 30 DCEDHM C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1)NCC#N ZINC001589797741 1166690724 /nfs/dbraw/zinc/69/07/24/1166690724.db2.gz GLMDSLIRLFXKJL-BDAKNGLRSA-N -1 3 302.342 0.205 20 30 DCEDHM C[C@@H](C#N)C(=O)NC[C@H](C)Nc1ncccc1-c1nnn[n-]1 ZINC001589850015 1166699583 /nfs/dbraw/zinc/69/95/83/1166699583.db2.gz ZNCIBCSOHRQVIR-IUCAKERBSA-N -1 3 300.326 0.338 20 30 DCEDHM C[C@@H](C#N)C(=O)NC[C@H](C)Nc1ncccc1-c1nn[n-]n1 ZINC001589850015 1166699585 /nfs/dbraw/zinc/69/95/85/1166699585.db2.gz ZNCIBCSOHRQVIR-IUCAKERBSA-N -1 3 300.326 0.338 20 30 DCEDHM C[C@H](O)[C@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)CCO1 ZINC001589994356 1166739945 /nfs/dbraw/zinc/73/99/45/1166739945.db2.gz FWIJTZYCXUGEMF-JOYOIKCWSA-N -1 3 300.322 0.324 20 30 DCEDHM C[C@H](O)[C@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)CCO1 ZINC001589994356 1166739949 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ZINC001590321944 1166862397 /nfs/dbraw/zinc/86/23/97/1166862397.db2.gz YKNGSUFOCYJTOY-ZCFIWIBFSA-N -1 3 306.280 0.416 20 30 DCEDHM C[C@@H]1CN=C(NN=Cc2c(F)cc(-c3nn[n-]n3)cc2F)N1 ZINC001590321944 1166862404 /nfs/dbraw/zinc/86/24/04/1166862404.db2.gz YKNGSUFOCYJTOY-ZCFIWIBFSA-N -1 3 306.280 0.416 20 30 DCEDHM CCCn1c(C)nnc1Cn1c(C)nc(C#N)c1-c1nnn[n-]1 ZINC001590662559 1166962033 /nfs/dbraw/zinc/96/20/33/1166962033.db2.gz UNNURTSRSUWWEQ-UHFFFAOYSA-N -1 3 312.341 0.602 20 30 DCEDHM CCCn1c(C)nnc1Cn1c(C)nc(C#N)c1-c1nn[n-]n1 ZINC001590662559 1166962038 /nfs/dbraw/zinc/96/20/38/1166962038.db2.gz UNNURTSRSUWWEQ-UHFFFAOYSA-N -1 3 312.341 0.602 20 30 DCEDHM CS(=O)(=O)CC1(Cn2cnc(C#N)c2-c2nnn[n-]2)CCC1 ZINC001591673265 1167348508 /nfs/dbraw/zinc/34/85/08/1167348508.db2.gz QCFNDVOHJBDJKA-UHFFFAOYSA-N -1 3 321.366 0.150 20 30 DCEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N[C@](C)(C#N)CN(C)C ZINC001591877989 1167407310 /nfs/dbraw/zinc/40/73/10/1167407310.db2.gz HLQDHSYTKYEDBZ-CQSZACIVSA-N -1 3 314.353 0.144 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N[C@](C)(C#N)CN(C)C ZINC001591877989 1167407314 /nfs/dbraw/zinc/40/73/14/1167407314.db2.gz HLQDHSYTKYEDBZ-CQSZACIVSA-N -1 3 314.353 0.144 20 30 DCEDHM Cc1ccnc(N2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1-c1nnn[n-]1 ZINC001592274187 1167481975 /nfs/dbraw/zinc/48/19/75/1167481975.db2.gz NVTPUKYICSQERQ-TXEJJXNPSA-N -1 3 312.381 0.993 20 30 DCEDHM Cc1ccnc(N2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1-c1nn[n-]n1 ZINC001592274187 1167481977 /nfs/dbraw/zinc/48/19/77/1167481977.db2.gz NVTPUKYICSQERQ-TXEJJXNPSA-N -1 3 312.381 0.993 20 30 DCEDHM Cn1c(C(=O)OCC2(CC#N)COC2)ccc1-c1nnn[n-]1 ZINC001592551094 1167556563 /nfs/dbraw/zinc/55/65/63/1167556563.db2.gz RLKPQYJXEYCEND-UHFFFAOYSA-N -1 3 302.294 0.292 20 30 DCEDHM Cn1c(C(=O)OCC2(CC#N)COC2)ccc1-c1nn[n-]n1 ZINC001592551094 1167556569 /nfs/dbraw/zinc/55/65/69/1167556569.db2.gz RLKPQYJXEYCEND-UHFFFAOYSA-N -1 3 302.294 0.292 20 30 DCEDHM N#CC1(CNC(=O)c2cc(-c3nnn[n-]3)cs2)CCOCC1 ZINC001592668321 1167591198 /nfs/dbraw/zinc/59/11/98/1167591198.db2.gz JRFSLBHWRACLBM-UHFFFAOYSA-N -1 3 318.362 0.978 20 30 DCEDHM N#CC1(CNC(=O)c2cc(-c3nn[n-]n3)cs2)CCOCC1 ZINC001592668321 1167591205 /nfs/dbraw/zinc/59/12/05/1167591205.db2.gz JRFSLBHWRACLBM-UHFFFAOYSA-N -1 3 318.362 0.978 20 30 DCEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N1CC[C@H]1CO ZINC001592664969 1167592501 /nfs/dbraw/zinc/59/25/01/1167592501.db2.gz KUTMMCKJYIRQIX-STQMWFEESA-N -1 3 312.333 0.142 20 30 DCEDHM N#C[C@H]1CN(C(=O)C2(c3ccc(-c4nnn[n-]4)cc3)CC2)CCO1 ZINC001592672261 1167593539 /nfs/dbraw/zinc/59/35/39/1167593539.db2.gz GIQPJUGWODZOLF-ZDUSSCGKSA-N -1 3 324.344 0.649 20 30 DCEDHM N#C[C@H]1CN(C(=O)C2(c3ccc(-c4nn[n-]n4)cc3)CC2)CCO1 ZINC001592672261 1167593548 /nfs/dbraw/zinc/59/35/48/1167593548.db2.gz GIQPJUGWODZOLF-ZDUSSCGKSA-N -1 3 324.344 0.649 20 30 DCEDHM N#CCC1(O)CN(Cc2cc(Cl)cc(-c3nnn[n-]3)c2)C1 ZINC001592673196 1167595732 /nfs/dbraw/zinc/59/57/32/1167595732.db2.gz BCENELRVWYAGOA-UHFFFAOYSA-N -1 3 304.741 0.980 20 30 DCEDHM N#CCC1(O)CN(Cc2cc(Cl)cc(-c3nn[n-]n3)c2)C1 ZINC001592673196 1167595736 /nfs/dbraw/zinc/59/57/36/1167595736.db2.gz BCENELRVWYAGOA-UHFFFAOYSA-N -1 3 304.741 0.980 20 30 DCEDHM N#CC[C@@]1(O)CCN(C(=O)Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001592674494 1167596076 /nfs/dbraw/zinc/59/60/76/1167596076.db2.gz DHWZEAVHXJUDHV-CYBMUJFWSA-N -1 3 314.309 0.144 20 30 DCEDHM N#CC[C@@]1(O)CCN(C(=O)Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001592674494 1167596082 /nfs/dbraw/zinc/59/60/82/1167596082.db2.gz DHWZEAVHXJUDHV-CYBMUJFWSA-N -1 3 314.309 0.144 20 30 DCEDHM N#CCNC[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001592678923 1167599179 /nfs/dbraw/zinc/59/91/79/1167599179.db2.gz YHUGUGHAPBNMDE-KOLCDFICSA-N -1 3 314.353 0.206 20 30 DCEDHM N#CCNC[C@H]1CCC[C@@H]1NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001592678923 1167599185 /nfs/dbraw/zinc/59/91/85/1167599185.db2.gz YHUGUGHAPBNMDE-KOLCDFICSA-N -1 3 314.353 0.206 20 30 DCEDHM N#CCCN1CCN(C(=O)c2cc(-c3nnn[n-]3)cs2)CC1 ZINC001592677676 1167599445 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N#Cc1nc(N)n(CCOc2cccc(F)c2)c1-c1nnn[n-]1 ZINC001592704355 1167604331 /nfs/dbraw/zinc/60/43/31/1167604331.db2.gz FGDGXBDFBSIOPC-UHFFFAOYSA-N -1 3 314.284 0.735 20 30 DCEDHM N#Cc1nc(N)n(CCOc2cccc(F)c2)c1-c1nn[n-]n1 ZINC001592704355 1167604336 /nfs/dbraw/zinc/60/43/36/1167604336.db2.gz FGDGXBDFBSIOPC-UHFFFAOYSA-N -1 3 314.284 0.735 20 30 DCEDHM N#Cc1cncc(CNC(=O)c2cc(-c3nnn[n-]3)ccn2)c1 ZINC001592704291 1167605462 /nfs/dbraw/zinc/60/54/62/1167605462.db2.gz GTVCHZMNFSYBMB-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM N#Cc1cncc(CNC(=O)c2cc(-c3nn[n-]n3)ccn2)c1 ZINC001592704291 1167605470 /nfs/dbraw/zinc/60/54/70/1167605470.db2.gz GTVCHZMNFSYBMB-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM N#Cc1ncc(N[C@H]2CCc3cncn3C2)nc1-c1nnn[n-]1 ZINC001592710701 1167609759 /nfs/dbraw/zinc/60/97/59/1167609759.db2.gz VNDZOEXXQYUJAT-QMMMGPOBSA-N -1 3 308.309 0.152 20 30 DCEDHM N#Cc1ncc(N[C@H]2CCc3cncn3C2)nc1-c1nn[n-]n1 ZINC001592710701 1167609760 /nfs/dbraw/zinc/60/97/60/1167609760.db2.gz VNDZOEXXQYUJAT-QMMMGPOBSA-N -1 3 308.309 0.152 20 30 DCEDHM C#CCN(C1CC1)S(=O)(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001602719620 1169169322 /nfs/dbraw/zinc/16/93/22/1169169322.db2.gz DNHNYWPNGJJTOI-UHFFFAOYSA-N -1 3 317.374 0.794 20 30 DCEDHM C#CCN(C1CC1)S(=O)(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001602719620 1169169326 /nfs/dbraw/zinc/16/93/26/1169169326.db2.gz DNHNYWPNGJJTOI-UHFFFAOYSA-N -1 3 317.374 0.794 20 30 DCEDHM C#CCO[C@@H](C)C(=O)Oc1ccc(-c2nnn[n-]2)cc1OC ZINC001602726009 1169175163 /nfs/dbraw/zinc/17/51/63/1169175163.db2.gz BOWVCNGAHILIGI-VIFPVBQESA-N -1 3 302.290 0.819 20 30 DCEDHM C#CCO[C@@H](C)C(=O)Oc1ccc(-c2nn[n-]n2)cc1OC ZINC001602726009 1169175165 /nfs/dbraw/zinc/17/51/65/1169175165.db2.gz BOWVCNGAHILIGI-VIFPVBQESA-N -1 3 302.290 0.819 20 30 DCEDHM C=C(C)CN(CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC001602758161 1169179944 /nfs/dbraw/zinc/17/99/44/1169179944.db2.gz CAABILLYBWRQNW-UHFFFAOYSA-N -1 3 308.367 0.848 20 30 DCEDHM C=C(C)CN(CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC001602758161 1169179948 /nfs/dbraw/zinc/17/99/48/1169179948.db2.gz CAABILLYBWRQNW-UHFFFAOYSA-N -1 3 308.367 0.848 20 30 DCEDHM C=CCNC(=O)C[S@@](=O)Cc1ccc(C)c(-c2nn[n-]n2)c1 ZINC001602864100 1169196446 /nfs/dbraw/zinc/19/64/46/1169196446.db2.gz XHIUGFPPTDYLPQ-QFIPXVFZSA-N -1 3 319.390 0.726 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)c1cc(-c2nnn[n-]2)ccc1F ZINC001602889231 1169199119 /nfs/dbraw/zinc/19/91/19/1169199119.db2.gz FTJFSENLCASVMU-JTQLQIEISA-N -1 3 303.297 0.510 20 30 DCEDHM CC#CC[C@@H](CO)NC(=O)c1cc(-c2nn[n-]n2)ccc1F ZINC001602889231 1169199132 /nfs/dbraw/zinc/19/91/32/1169199132.db2.gz FTJFSENLCASVMU-JTQLQIEISA-N -1 3 303.297 0.510 20 30 DCEDHM C[C@@H](C#N)C(=O)N1CC[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001602982616 1169224596 /nfs/dbraw/zinc/22/45/96/1169224596.db2.gz ZYROFBIJTSRMGE-GXSJLCMTSA-N -1 3 312.337 0.434 20 30 DCEDHM C[C@@H](C#N)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001602982616 1169224605 /nfs/dbraw/zinc/22/46/05/1169224605.db2.gz ZYROFBIJTSRMGE-GXSJLCMTSA-N -1 3 312.337 0.434 20 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/nfs/dbraw/zinc/32/83/12/1169328312.db2.gz MDKLXICRAAQVTB-BXKDBHETSA-N -1 3 300.322 0.046 20 30 DCEDHM C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@H](C#N)CO ZINC001603581347 1169328320 /nfs/dbraw/zinc/32/83/20/1169328320.db2.gz MDKLXICRAAQVTB-BXKDBHETSA-N -1 3 300.322 0.046 20 30 DCEDHM CC(C)[C@](C)(C#N)NC(=O)CN1C[C@H]2COCC[C@@]2(C(=O)[O-])C1 ZINC001603714317 1169369477 /nfs/dbraw/zinc/36/94/77/1169369477.db2.gz MXQAHAUWORIGRT-VBNZEHGJSA-N -1 3 323.393 0.464 20 30 DCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@H](C)N1CC#N ZINC001603927965 1169438030 /nfs/dbraw/zinc/43/80/30/1169438030.db2.gz CRYXSGDZANNYCU-AOOOYVTPSA-N -1 3 314.353 0.253 20 30 DCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@H](C)N1CC#N ZINC001603927965 1169438031 /nfs/dbraw/zinc/43/80/31/1169438031.db2.gz CRYXSGDZANNYCU-AOOOYVTPSA-N -1 3 314.353 0.253 20 30 DCEDHM C[C@H](CN(C)CC#CCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC001604158404 1169509380 /nfs/dbraw/zinc/50/93/80/1169509380.db2.gz RKYQNGSRTGLEOB-GFCCVEGCSA-N -1 3 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Cc1noc([N-]C(=O)c2cncc(N3CCOCC3)n2)c1C#N ZINC001190761893 772668042 /nfs/dbraw/zinc/66/80/42/772668042.db2.gz SWHFBCKTKGVZBH-UHFFFAOYSA-N -1 3 314.305 0.734 20 30 DCEDHM CC#CCN(C)[C@@H]1CCN(C(=O)CCCn2c(=O)[n-][nH]c2=O)C1 ZINC001191052949 772713322 /nfs/dbraw/zinc/71/33/22/772713322.db2.gz WOZYYDNDGQXWDD-GFCCVEGCSA-N -1 3 321.381 0.026 20 30 DCEDHM Cn1[n-]c(CN[C@H]2CCCN(C(=O)C#CC(C)(C)C)C2)nc1=O ZINC001208010149 773371724 /nfs/dbraw/zinc/37/17/24/773371724.db2.gz FVTDYLSSLPNWMP-LBPRGKRZSA-N -1 3 319.409 0.239 20 30 DCEDHM COC(=O)c1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)cc1 ZINC001214646473 774005513 /nfs/dbraw/zinc/00/55/13/774005513.db2.gz AGFBZDNIBVOZIJ-NSHDSACASA-N -1 3 307.306 0.975 20 30 DCEDHM COc1ncc(-n2c(N)c(C#N)c(N)nc2=NC2CC2)cc1[O-] ZINC001216206432 774108058 /nfs/dbraw/zinc/10/80/58/774108058.db2.gz UUDGZUBXDZZPHP-UHFFFAOYSA-N -1 3 313.321 0.081 20 30 DCEDHM N#Cc1c2c(sc1NC(=O)[C@@H](N)Cc1nnn[n-]1)CCC2 ZINC001218546582 774243918 /nfs/dbraw/zinc/24/39/18/774243918.db2.gz 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C#CCCCC(=O)N[C@@H](C)CNCc1cc(=O)n2[n-]ccc2n1 ZINC001483223071 941946493 /nfs/dbraw/zinc/94/64/93/941946493.db2.gz TUZTUTDFHCVFML-LBPRGKRZSA-N -1 3 315.377 0.420 20 30 DCEDHM CCOC(=O)c1nnc(CNC(=O)CC2(C#N)CCOCC2)[n-]1 ZINC001412844285 942102411 /nfs/dbraw/zinc/10/24/11/942102411.db2.gz WXCVHYXPWDIAGZ-UHFFFAOYSA-N -1 3 321.337 0.308 20 30 DCEDHM COC(=O)c1cccc(CN2CC[C@@H](c3nnn[n-]3)C2)c1C#N ZINC001413049860 942257239 /nfs/dbraw/zinc/25/72/39/942257239.db2.gz QTGAMHHJKOQUQH-LLVKDONJSA-N -1 3 312.333 0.847 20 30 DCEDHM COC(=O)c1cccc(CN2CC[C@@H](c3nn[n-]n3)C2)c1C#N ZINC001413049860 942257244 /nfs/dbraw/zinc/25/72/44/942257244.db2.gz QTGAMHHJKOQUQH-LLVKDONJSA-N -1 3 312.333 0.847 20 30 DCEDHM N#Cc1cccnc1NC[C@@H](O)CNC(=O)c1ccccc1[O-] ZINC001105756090 942535966 /nfs/dbraw/zinc/53/59/66/942535966.db2.gz OVLCBDVZNHJYOG-GFCCVEGCSA-N -1 3 312.329 0.862 20 30 DCEDHM C[C@@H](C#N)CN(C)S(=O)(=O)[N-]Cc1nc(C(F)F)no1 ZINC001413377894 942939852 /nfs/dbraw/zinc/93/98/52/942939852.db2.gz 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0.778 20 30 DCEDHM C#CCN(C)CCCNS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000328020806 971441597 /nfs/dbraw/zinc/44/15/97/971441597.db2.gz SIOQMIIEWZUQCU-UHFFFAOYSA-N -1 3 324.402 0.759 20 30 DCEDHM C#CCN1CC2(CN(Cc3nc(C)ccc3[O-])C2)OCC1=O ZINC001273801985 948103599 /nfs/dbraw/zinc/10/35/99/948103599.db2.gz YGHGUQJNEPFQRC-UHFFFAOYSA-N -1 3 301.346 0.142 20 30 DCEDHM C=CCCN1CC[C@H]1CN(C)C(=O)CCc1n[nH]c(=O)[n-]c1=O ZINC001264364602 948935886 /nfs/dbraw/zinc/93/58/86/948935886.db2.gz GABMAWBRSHTUCH-NSHDSACASA-N -1 3 321.381 0.324 20 30 DCEDHM Cc1nc[n-]c(=O)c1CCC(=O)NC[C@H]1C[C@H](NCC#N)C1 ZINC001264425646 948971476 /nfs/dbraw/zinc/97/14/76/948971476.db2.gz BDKQITRIUFKTBN-HAQNSBGRSA-N -1 3 303.366 0.431 20 30 DCEDHM C#CCNCc1cc(=O)[n-]c(CNC(=O)c2nc(C)oc2C)n1 ZINC001264584251 949017651 /nfs/dbraw/zinc/01/76/51/949017651.db2.gz PJSUBAGNFYIYIV-UHFFFAOYSA-N -1 3 315.333 0.440 20 30 DCEDHM C[C@H](C#N)C(=O)N(C)C[C@@H](C)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574692977 949044174 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313.369 0.447 20 30 DCEDHM COC[C@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)c(Cl)n1 ZINC001591367623 1167239049 /nfs/dbraw/zinc/23/90/49/1167239049.db2.gz BMMBDVSASOGDNZ-LBPRGKRZSA-N -1 3 321.728 0.574 20 30 DCEDHM COC[C@@](C)(C#N)NC(=O)c1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001591367597 1167239571 /nfs/dbraw/zinc/23/95/71/1167239571.db2.gz AGKSVVHRGQIXAR-CQSZACIVSA-N -1 3 316.321 0.534 20 30 DCEDHM COC[C@@](C)(C#N)NC(=O)c1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001591367597 1167239576 /nfs/dbraw/zinc/23/95/76/1167239576.db2.gz AGKSVVHRGQIXAR-CQSZACIVSA-N -1 3 316.321 0.534 20 30 DCEDHM COCC[C@](C)(C#N)NC(=O)c1csc(-c2nnn[n-]2)c1 ZINC001591397438 1167266061 /nfs/dbraw/zinc/26/60/61/1167266061.db2.gz KHOBDGUPYAKUFM-GFCCVEGCSA-N -1 3 306.351 0.977 20 30 DCEDHM COCCOC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001591431945 1167284829 /nfs/dbraw/zinc/28/48/29/1167284829.db2.gz XQGFOOSQWPGZHO-LBPRGKRZSA-N -1 3 301.306 0.739 20 30 DCEDHM COCCOC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001591431945 1167284835 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Cc1cc(C(=O)Nc2nn(C)cc2C#N)ncc1-c1nn[n-]n1 ZINC001591935261 1167420805 /nfs/dbraw/zinc/42/08/05/1167420805.db2.gz JMTRYKNHXAAEBC-UHFFFAOYSA-N -1 3 309.293 0.428 20 30 DCEDHM Cc1cc(C(=O)n2ncc(-c3nnn[n-]3)c2N)cc(C)c1C#N ZINC001591941165 1167423780 /nfs/dbraw/zinc/42/37/80/1167423780.db2.gz SRXHBNQVXWUATF-UHFFFAOYSA-N -1 3 308.305 0.822 20 30 DCEDHM Cc1nn(Cc2cc(-c3nnn[n-]3)ccn2)c(=O)c(C#N)c1C ZINC001592438054 1167521761 /nfs/dbraw/zinc/52/17/61/1167521761.db2.gz RIGYHMLWCUTSCV-UHFFFAOYSA-N -1 3 308.305 0.355 20 30 DCEDHM Cc1nn(Cc2cc(-c3nn[n-]n3)ccn2)c(=O)c(C#N)c1C ZINC001592438054 1167521765 /nfs/dbraw/zinc/52/17/65/1167521765.db2.gz RIGYHMLWCUTSCV-UHFFFAOYSA-N -1 3 308.305 0.355 20 30 DCEDHM Cc1oc(NC(=O)CN[C@@H](C)CC#N)c(-c2nnn[n-]2)c1C ZINC001592511058 1167544819 /nfs/dbraw/zinc/54/48/19/1167544819.db2.gz IRFCZZBJQQMXAT-ZETCQYMHSA-N -1 3 303.326 0.907 20 30 DCEDHM Cn1nncc1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC001592611802 1167584769 /nfs/dbraw/zinc/58/47/69/1167584769.db2.gz 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1167593769 /nfs/dbraw/zinc/59/37/69/1167593769.db2.gz SLUXAOKHTNOYJC-VIFPVBQESA-N -1 3 318.724 0.885 20 30 DCEDHM N#C[C@H]1CN(C(=O)c2cc(-c3nn[n-]n3)ccc2Cl)CCO1 ZINC001592671933 1167593774 /nfs/dbraw/zinc/59/37/74/1167593774.db2.gz SLUXAOKHTNOYJC-VIFPVBQESA-N -1 3 318.724 0.885 20 30 DCEDHM N#CCCCNC(=O)N[C@@H]1Cc2ccc(-c3nnn[n-]3)cc2C1 ZINC001592676234 1167596095 /nfs/dbraw/zinc/59/60/95/1167596095.db2.gz HOVMDYJYZUJJKH-CYBMUJFWSA-N -1 3 311.349 0.937 20 30 DCEDHM N#CCCCNC(=O)N[C@@H]1Cc2ccc(-c3nn[n-]n3)cc2C1 ZINC001592676234 1167596100 /nfs/dbraw/zinc/59/61/00/1167596100.db2.gz HOVMDYJYZUJJKH-CYBMUJFWSA-N -1 3 311.349 0.937 20 30 DCEDHM N#CCCNC(=O)N1CC(Oc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001592678411 1167598280 /nfs/dbraw/zinc/59/82/80/1167598280.db2.gz VVRGVLPJIAFCLO-UHFFFAOYSA-N -1 3 313.321 0.553 20 30 DCEDHM N#Cc1cc(C(=O)n2ncc(-c3nnn[n-]3)c2N)ccc1Cl ZINC001592687898 1167602919 /nfs/dbraw/zinc/60/29/19/1167602919.db2.gz NSCNXALVTDARPB-UHFFFAOYSA-N -1 3 314.696 0.859 20 30 DCEDHM N#Cc1cnn(C(=O)COc2ccccc2-c2nnn[n-]2)c1N ZINC001592704076 1167605570 /nfs/dbraw/zinc/60/55/70/1167605570.db2.gz RNVZSWONRIQGLL-UHFFFAOYSA-N -1 3 310.277 0.236 20 30 DCEDHM N#Cc1cnn(C(=O)COc2ccccc2-c2nn[n-]n2)c1N ZINC001592704076 1167605575 /nfs/dbraw/zinc/60/55/75/1167605575.db2.gz RNVZSWONRIQGLL-UHFFFAOYSA-N -1 3 310.277 0.236 20 30 DCEDHM O=C(C#CC1CC1)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001592766422 1167641125 /nfs/dbraw/zinc/64/11/25/1167641125.db2.gz LYBGDHZMOQXELT-UHFFFAOYSA-N -1 3 323.360 0.324 20 30 DCEDHM O=C(C#CC1CC1)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001592766422 1167641128 /nfs/dbraw/zinc/64/11/28/1167641128.db2.gz LYBGDHZMOQXELT-UHFFFAOYSA-N -1 3 323.360 0.324 20 30 DCEDHM Cc1ccc(C#N)cc1C(=O)N1CCN(C)C[C@H](C(=O)[O-])C1 ZINC001600328486 1168165103 /nfs/dbraw/zinc/16/51/03/1168165103.db2.gz JEDHBRPURPUIOC-ZDUSSCGKSA-N -1 3 301.346 0.955 20 30 DCEDHM N#C[C@H]1CNCC12CC(C(=O)N[C@H](CC(F)(F)F)C(=O)[O-])C2 ZINC001601062453 1168579808 /nfs/dbraw/zinc/57/98/08/1168579808.db2.gz 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C#C[C@H]1CCCCN1C(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001602690749 1169160321 /nfs/dbraw/zinc/16/03/21/1169160321.db2.gz HPZACXIRUWZCIZ-LBPRGKRZSA-N -1 3 311.349 0.688 20 30 DCEDHM C#C[C@@H](CC)NC(=O)COc1ccc(-c2nnn[n-]2)cc1OC ZINC001602689104 1169160789 /nfs/dbraw/zinc/16/07/89/1169160789.db2.gz BVCAZUTUVQYBGZ-NSHDSACASA-N -1 3 315.333 0.782 20 30 DCEDHM C#C[C@@H](CC)NC(=O)COc1ccc(-c2nn[n-]n2)cc1OC ZINC001602689104 1169160793 /nfs/dbraw/zinc/16/07/93/1169160793.db2.gz BVCAZUTUVQYBGZ-NSHDSACASA-N -1 3 315.333 0.782 20 30 DCEDHM C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc(-c2nnn[n-]2)n1 ZINC001602745448 1169177866 /nfs/dbraw/zinc/17/78/66/1169177866.db2.gz FXSRWJSKKDBQSM-GHMZBOCLSA-N -1 3 311.353 0.456 20 30 DCEDHM C(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cccc(-c2nn[n-]n2)n1 ZINC001602745448 1169177871 /nfs/dbraw/zinc/17/78/71/1169177871.db2.gz FXSRWJSKKDBQSM-GHMZBOCLSA-N -1 3 311.353 0.456 20 30 DCEDHM C=CCN1CC[C@@H](N(C)Cc2cc(-c3nnn[n-]3)ccn2)C1=O ZINC001602863504 1169195010 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DHGNIVLDBLMEMN-UHFFFAOYSA-N -1 3 305.363 0.819 20 30 DCEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)[C@H]1COCCO1 ZINC001588777063 1166587170 /nfs/dbraw/zinc/58/71/70/1166587170.db2.gz AFJGBIAGBSYACS-CYBMUJFWSA-N -1 3 302.338 0.748 20 30 DCEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)[C@H]1COCCO1 ZINC001588777063 1166587176 /nfs/dbraw/zinc/58/71/76/1166587176.db2.gz AFJGBIAGBSYACS-CYBMUJFWSA-N -1 3 302.338 0.748 20 30 DCEDHM C[C@H](C#N)CNC[C@H](O)COc1ccccc1-c1nnn[n-]1 ZINC001588933897 1166620067 /nfs/dbraw/zinc/62/00/67/1166620067.db2.gz BEKSGBSSDPKZFH-MNOVXSKESA-N -1 3 302.338 0.356 20 30 DCEDHM CC(C)[C@H](NC=O)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC001589765575 1166686970 /nfs/dbraw/zinc/68/69/70/1166686970.db2.gz IQWTZDLMOHXJKD-LBPRGKRZSA-N -1 3 313.321 0.447 20 30 DCEDHM CC(C)[C@H](NC=O)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC001589765575 1166686975 /nfs/dbraw/zinc/68/69/75/1166686975.db2.gz IQWTZDLMOHXJKD-LBPRGKRZSA-N -1 3 313.321 0.447 20 30 DCEDHM C[C@H](CC#N)C(=O)OCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC001589787320 1166687278 /nfs/dbraw/zinc/68/72/78/1166687278.db2.gz PIAUCWKJKPLUNY-SECBINFHSA-N -1 3 314.305 0.898 20 30 DCEDHM C[C@H](CC#N)C(=O)OCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC001589787320 1166687284 /nfs/dbraw/zinc/68/72/84/1166687284.db2.gz PIAUCWKJKPLUNY-SECBINFHSA-N -1 3 314.305 0.898 20 30 DCEDHM C[C@@H](CC#N)NS(=O)(=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001589787917 1166688718 /nfs/dbraw/zinc/68/87/18/1166688718.db2.gz QZNWRLDUDHECCX-ZETCQYMHSA-N -1 3 310.314 0.586 20 30 DCEDHM CC[C@H](CC#N)NS(=O)(=O)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001590420286 1166902582 /nfs/dbraw/zinc/90/25/82/1166902582.db2.gz VSGJUPSKLFUFHT-SNVBAGLBSA-N -1 3 324.341 0.976 20 30 DCEDHM CC[C@H](CC#N)NS(=O)(=O)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001590420286 1166902587 /nfs/dbraw/zinc/90/25/87/1166902587.db2.gz VSGJUPSKLFUFHT-SNVBAGLBSA-N -1 3 324.341 0.976 20 30 DCEDHM CCC[C@H](C#N)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001590539127 1166940248 /nfs/dbraw/zinc/94/02/48/1166940248.db2.gz ZIICTMKGXLCSLS-SECBINFHSA-N -1 3 307.339 0.232 20 30 DCEDHM CCC[C@H](C#N)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001590539127 1166940253 /nfs/dbraw/zinc/94/02/53/1166940253.db2.gz ZIICTMKGXLCSLS-SECBINFHSA-N -1 3 307.339 0.232 20 30 DCEDHM CCN(CC#N)C[C@H](O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001590679621 1166968950 /nfs/dbraw/zinc/96/89/50/1166968950.db2.gz CZGAYFISYAGACZ-LBPRGKRZSA-N -1 3 302.338 0.452 20 30 DCEDHM CCc1nccn1CCNc1cnc(-c2nnn[n-]2)c(C#N)n1 ZINC001590926524 1167053674 /nfs/dbraw/zinc/05/36/74/1167053674.db2.gz YFBCPXQQXMADCA-UHFFFAOYSA-N -1 3 310.325 0.399 20 30 DCEDHM CCc1nccn1CCNc1cnc(-c2nn[n-]n2)c(C#N)n1 ZINC001590926524 1167053680 /nfs/dbraw/zinc/05/36/80/1167053680.db2.gz YFBCPXQQXMADCA-UHFFFAOYSA-N -1 3 310.325 0.399 20 30 DCEDHM COC(=O)CCN(CC#N)C(=O)c1csc(-c2nnn[n-]2)c1 ZINC001591264586 1167185407 /nfs/dbraw/zinc/18/54/07/1167185407.db2.gz JWZYRYFSSGTXFV-UHFFFAOYSA-N -1 3 320.334 0.457 20 30 DCEDHM COC[C@@H]1CN(c2c(C#N)cccc2-c2nnn[n-]2)C[C@H](C)O1 ZINC001591395684 1167263146 /nfs/dbraw/zinc/26/31/46/1167263146.db2.gz HXUDSZTXZZUGEQ-JQWIXIFHSA-N -1 3 314.349 0.978 20 30 DCEDHM COC[C@@H]1CN(c2c(C#N)cccc2-c2nn[n-]n2)C[C@H](C)O1 ZINC001591395684 1167263153 /nfs/dbraw/zinc/26/31/53/1167263153.db2.gz HXUDSZTXZZUGEQ-JQWIXIFHSA-N -1 3 314.349 0.978 20 30 DCEDHM COc1ncc(Cn2c(C)nc(C#N)c2-c2nnn[n-]2)c(C)n1 ZINC001591663623 1167343893 /nfs/dbraw/zinc/34/38/93/1167343893.db2.gz VCTQSRXUQNEAHW-UHFFFAOYSA-N -1 3 311.309 0.399 20 30 DCEDHM COc1ncc(Cn2c(C)nc(C#N)c2-c2nn[n-]n2)c(C)n1 ZINC001591663623 1167343900 /nfs/dbraw/zinc/34/39/00/1167343900.db2.gz VCTQSRXUQNEAHW-UHFFFAOYSA-N -1 3 311.309 0.399 20 30 DCEDHM Cc1ccc2ncc(-c3nnn[n-]3)c(OCC(=O)NCC#N)c2c1 ZINC001592209633 1167474708 /nfs/dbraw/zinc/47/47/08/1167474708.db2.gz ALWUMKYLMPBRGP-UHFFFAOYSA-N -1 3 323.316 0.742 20 30 DCEDHM Cc1ccc2ncc(-c3nn[n-]n3)c(OCC(=O)NCC#N)c2c1 ZINC001592209633 1167474714 /nfs/dbraw/zinc/47/47/14/1167474714.db2.gz ALWUMKYLMPBRGP-UHFFFAOYSA-N -1 3 323.316 0.742 20 30 DCEDHM Cc1ccc2nc(Cn3cnc(C#N)c3-c3nnn[n-]3)cn2c1 ZINC001592207639 1167475941 /nfs/dbraw/zinc/47/59/41/1167475941.db2.gz JGZCDLQXQPWHAY-UHFFFAOYSA-N -1 3 305.305 0.939 20 30 DCEDHM Cc1ccc2nc(Cn3cnc(C#N)c3-c3nn[n-]n3)cn2c1 ZINC001592207639 1167475945 /nfs/dbraw/zinc/47/59/45/1167475945.db2.gz JGZCDLQXQPWHAY-UHFFFAOYSA-N -1 3 305.305 0.939 20 30 DCEDHM Cc1nc(C#N)c(-c2nnn[n-]2)n1Cc1nnnn1C(C)(C)C ZINC001592340441 1167495647 /nfs/dbraw/zinc/49/56/47/1167495647.db2.gz UNOCRPDAFSCDOL-UHFFFAOYSA-N -1 3 313.329 0.033 20 30 DCEDHM Cc1nc(C#N)c(-c2nn[n-]n2)n1Cc1nnnn1C(C)(C)C ZINC001592340441 1167495651 /nfs/dbraw/zinc/49/56/51/1167495651.db2.gz UNOCRPDAFSCDOL-UHFFFAOYSA-N -1 3 313.329 0.033 20 30 DCEDHM N#CC1(CC(=O)Nc2cc(-c3nnn[n-]3)ccn2)CCOCC1 ZINC001592667051 1167592621 /nfs/dbraw/zinc/59/26/21/1167592621.db2.gz OGPWMUUKWBBPHO-UHFFFAOYSA-N -1 3 313.321 0.911 20 30 DCEDHM N#CC1(CC(=O)Nc2cc(-c3nn[n-]n3)ccn2)CCOCC1 ZINC001592667051 1167592627 /nfs/dbraw/zinc/59/26/27/1167592627.db2.gz OGPWMUUKWBBPHO-UHFFFAOYSA-N -1 3 313.321 0.911 20 30 DCEDHM N#CCNCCCCCCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001592678649 1167598548 /nfs/dbraw/zinc/59/85/48/1167598548.db2.gz HKJLREHVGAWWSN-UHFFFAOYSA-N -1 3 316.369 0.598 20 30 DCEDHM N#CCNCCCCCCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001592678649 1167598554 /nfs/dbraw/zinc/59/85/54/1167598554.db2.gz HKJLREHVGAWWSN-UHFFFAOYSA-N -1 3 316.369 0.598 20 30 DCEDHM N#CCNCC[C@H]1CCN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001592678833 1167599918 /nfs/dbraw/zinc/59/99/18/1167599918.db2.gz SOVNNGJNIPLMQZ-JTQLQIEISA-N -1 3 314.353 0.160 20 30 DCEDHM N#CCNCC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001592678833 1167599926 /nfs/dbraw/zinc/59/99/26/1167599926.db2.gz SOVNNGJNIPLMQZ-JTQLQIEISA-N -1 3 314.353 0.160 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC(N2CCCC2=O)C1 ZINC001592697994 1167601854 /nfs/dbraw/zinc/60/18/54/1167601854.db2.gz DTNMWAVSWIAHLJ-UHFFFAOYSA-N -1 3 309.333 0.549 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC(N2CCCC2=O)C1 ZINC001592697994 1167601855 /nfs/dbraw/zinc/60/18/55/1167601855.db2.gz DTNMWAVSWIAHLJ-UHFFFAOYSA-N -1 3 309.333 0.549 20 30 DCEDHM N#Cc1ccc(NC(=O)CO[C@@H]2CCOC2)cc1-c1nnn[n-]1 ZINC001592695452 1167603042 /nfs/dbraw/zinc/60/30/42/1167603042.db2.gz VDMQYVAIHLIXSI-LLVKDONJSA-N -1 3 314.305 0.482 20 30 DCEDHM N#Cc1ccc(NC(=O)CO[C@@H]2CCOC2)cc1-c1nn[n-]n1 ZINC001592695452 1167603045 /nfs/dbraw/zinc/60/30/45/1167603045.db2.gz VDMQYVAIHLIXSI-LLVKDONJSA-N -1 3 314.305 0.482 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CCCN(C(N)=O)CC1 ZINC001592699130 1167604704 /nfs/dbraw/zinc/60/47/04/1167604704.db2.gz PNTBWQGPVXXLKY-UHFFFAOYSA-N -1 3 312.337 0.329 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CCCN(C(N)=O)CC1 ZINC001592699130 1167604707 /nfs/dbraw/zinc/60/47/07/1167604707.db2.gz PNTBWQGPVXXLKY-UHFFFAOYSA-N -1 3 312.337 0.329 20 30 DCEDHM N#Cc1nc(N)n(Cc2cncc(Cl)c2)c1-c1nnn[n-]1 ZINC001592704378 1167605531 /nfs/dbraw/zinc/60/55/31/1167605531.db2.gz GJTRFQROJNSXPN-UHFFFAOYSA-N -1 3 301.701 0.614 20 30 DCEDHM N#Cc1nc(N)n(Cc2cncc(Cl)c2)c1-c1nn[n-]n1 ZINC001592704378 1167605535 /nfs/dbraw/zinc/60/55/35/1167605535.db2.gz GJTRFQROJNSXPN-UHFFFAOYSA-N -1 3 301.701 0.614 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@H](O)C(F)(F)C1 ZINC001592698826 1167605587 /nfs/dbraw/zinc/60/55/87/1167605587.db2.gz JNIGQOJVWIGXFJ-SNVBAGLBSA-N -1 3 306.276 0.945 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@H](O)C(F)(F)C1 ZINC001592698826 1167605590 /nfs/dbraw/zinc/60/55/90/1167605590.db2.gz JNIGQOJVWIGXFJ-SNVBAGLBSA-N -1 3 306.276 0.945 20 30 DCEDHM N#Cc1cccc(-c2nnn[n-]2)c1N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001592699235 1167605661 /nfs/dbraw/zinc/60/56/61/1167605661.db2.gz SVMMFYOMMMDMBD-AAEUAGOBSA-N -1 3 323.360 0.843 20 30 DCEDHM N#Cc1cccc(-c2nn[n-]n2)c1N1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC001592699235 1167605664 /nfs/dbraw/zinc/60/56/64/1167605664.db2.gz SVMMFYOMMMDMBD-AAEUAGOBSA-N -1 3 323.360 0.843 20 30 DCEDHM OCC#CCNc1cc(-c2nnn[n-]2)c(Br)cn1 ZINC001593521652 1167897141 /nfs/dbraw/zinc/89/71/41/1167897141.db2.gz NZQGFJUTKKRKKH-UHFFFAOYSA-N -1 3 309.127 0.432 20 30 DCEDHM OCC#CCNc1cc(-c2nn[n-]n2)c(Br)cn1 ZINC001593521652 1167897154 /nfs/dbraw/zinc/89/71/54/1167897154.db2.gz NZQGFJUTKKRKKH-UHFFFAOYSA-N -1 3 309.127 0.432 20 30 DCEDHM N#CC1(C(=O)[O-])CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC001601051819 1168577663 /nfs/dbraw/zinc/57/76/63/1168577663.db2.gz VSBHXTMSIWOEOX-NSHDSACASA-N -1 3 306.366 0.623 20 30 DCEDHM C#CC1(O)CCN(C(=O)c2cc(-c3nnn[n-]3)[nH]c2C)CC1 ZINC001602691193 1169162957 /nfs/dbraw/zinc/16/29/57/1169162957.db2.gz UUOZYTJGSBAVTJ-UHFFFAOYSA-N -1 3 300.322 0.104 20 30 DCEDHM C#CC1(O)CCN(C(=O)c2cc(-c3nn[n-]n3)[nH]c2C)CC1 ZINC001602691193 1169162958 /nfs/dbraw/zinc/16/29/58/1169162958.db2.gz UUOZYTJGSBAVTJ-UHFFFAOYSA-N -1 3 300.322 0.104 20 30 DCEDHM C#CCCCS(=O)(=O)NCc1ccc(-c2nnn[n-]2)c(F)c1 ZINC001602711150 1169165836 /nfs/dbraw/zinc/16/58/36/1169165836.db2.gz KEAPZBIRQJBXSH-UHFFFAOYSA-N -1 3 323.353 0.839 20 30 DCEDHM C#CCCCS(=O)(=O)NCc1ccc(-c2nn[n-]n2)c(F)c1 ZINC001602711150 1169165839 /nfs/dbraw/zinc/16/58/39/1169165839.db2.gz KEAPZBIRQJBXSH-UHFFFAOYSA-N -1 3 323.353 0.839 20 30 DCEDHM C#CC[C@@H]1NC(=O)N(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1=O ZINC001602702497 1169166072 /nfs/dbraw/zinc/16/60/72/1169166072.db2.gz HBXWBUQOEZLRRS-NSHDSACASA-N -1 3 314.280 0.450 20 30 DCEDHM C#CC[C@@H]1NC(=O)N(Cc2ccc(-c3nn[n-]n3)c(F)c2)C1=O ZINC001602702497 1169166075 /nfs/dbraw/zinc/16/60/75/1169166075.db2.gz HBXWBUQOEZLRRS-NSHDSACASA-N -1 3 314.280 0.450 20 30 DCEDHM C#CCCCC(=O)NCCCNc1ccc(-c2nnn[n-]2)nc1 ZINC001602702136 1169166360 /nfs/dbraw/zinc/16/63/60/1169166360.db2.gz AUQIHLUSZLQGMP-UHFFFAOYSA-N -1 3 313.365 0.983 20 30 DCEDHM C#CCCCC(=O)NCCCNc1ccc(-c2nn[n-]n2)nc1 ZINC001602702136 1169166365 /nfs/dbraw/zinc/16/63/65/1169166365.db2.gz AUQIHLUSZLQGMP-UHFFFAOYSA-N -1 3 313.365 0.983 20 30 DCEDHM C#CCCNS(=O)(=O)c1cc(-c2nnn[n-]2)ccc1Cl ZINC001602712339 1169167430 /nfs/dbraw/zinc/16/74/30/1169167430.db2.gz JFONHEJNGWFVTA-UHFFFAOYSA-N -1 3 311.754 0.822 20 30 DCEDHM C#CCCNS(=O)(=O)c1cc(-c2nn[n-]n2)ccc1Cl ZINC001602712339 1169167433 /nfs/dbraw/zinc/16/74/33/1169167433.db2.gz JFONHEJNGWFVTA-UHFFFAOYSA-N -1 3 311.754 0.822 20 30 DCEDHM C#CCCS(=O)(=O)Oc1ccc(-c2nnn[n-]2)c(OC)c1 ZINC001602714666 1169168606 /nfs/dbraw/zinc/16/86/06/1169168606.db2.gz YMILVFWSHCVBAV-UHFFFAOYSA-N -1 3 308.319 0.607 20 30 DCEDHM C#CCCS(=O)(=O)Oc1ccc(-c2nn[n-]n2)c(OC)c1 ZINC001602714666 1169168608 /nfs/dbraw/zinc/16/86/08/1169168608.db2.gz YMILVFWSHCVBAV-UHFFFAOYSA-N -1 3 308.319 0.607 20 30 DCEDHM C#CCN(C)c1nnc(Cc2ccc(-c3nnn[n-]3)cn2)n1C ZINC001602720216 1169170421 /nfs/dbraw/zinc/17/04/21/1169170421.db2.gz RPWXIFANYVIYAB-UHFFFAOYSA-N -1 3 309.337 0.050 20 30 DCEDHM C#CCN(C)c1nnc(Cc2ccc(-c3nn[n-]n3)cn2)n1C ZINC001602720216 1169170424 /nfs/dbraw/zinc/17/04/24/1169170424.db2.gz RPWXIFANYVIYAB-UHFFFAOYSA-N -1 3 309.337 0.050 20 30 DCEDHM C#CCNC(=O)[C@H](C)OC(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001602722122 1169173685 /nfs/dbraw/zinc/17/36/85/1169173685.db2.gz 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417431672 /nfs/dbraw/zinc/43/16/72/417431672.db2.gz ZXIYZCVMYVWJCA-NEPJUHHUSA-N -1 3 305.396 0.983 20 30 DCEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2COCCO2)c(F)c1 ZINC000576987924 417653849 /nfs/dbraw/zinc/65/38/49/417653849.db2.gz SQOHQXDTRZJGGT-JTQLQIEISA-N -1 3 300.311 0.391 20 30 DCEDHM C=CCC[C@@H](NC(=O)c1cc(=O)[n-]c(N(C)C)n1)C(=O)OCC ZINC000456604966 417656429 /nfs/dbraw/zinc/65/64/29/417656429.db2.gz KGLIUDQFKSSKPO-SNVBAGLBSA-N -1 3 322.365 0.876 20 30 DCEDHM CC#CC[C@H](CO)[N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C ZINC000645885397 417815769 /nfs/dbraw/zinc/81/57/69/417815769.db2.gz OUODLCYLOXFLJX-NWDGAFQWSA-N -1 3 311.407 0.833 20 30 DCEDHM CC#CC[C@H](CO)[N-]S(=O)(=O)C[C@]1(OC(C)C)CCOC1 ZINC000659985180 418212518 /nfs/dbraw/zinc/21/25/18/418212518.db2.gz DMOAKLFBCBKUKJ-KGLIPLIRSA-N -1 3 319.423 0.264 20 30 DCEDHM C=CCNC(=O)C[N-]S(=O)(=O)C[C@H](OC)C1CCCCC1 ZINC000656955455 418392191 /nfs/dbraw/zinc/39/21/91/418392191.db2.gz ZHCVGAPKCHMSJP-ZDUSSCGKSA-N -1 3 318.439 0.803 20 30 DCEDHM N#Cc1ccccc1OCC(=O)Nc1nnc(SCCO)[n-]1 ZINC000355418359 261339761 /nfs/dbraw/zinc/33/97/61/261339761.db2.gz FDMBAFLMBPQTJB-UHFFFAOYSA-N -1 3 319.346 0.778 20 30 DCEDHM N#Cc1ccccc1OCC(=O)Nc1nc(SCCO)n[n-]1 ZINC000355418359 261339763 /nfs/dbraw/zinc/33/97/63/261339763.db2.gz FDMBAFLMBPQTJB-UHFFFAOYSA-N -1 3 319.346 0.778 20 30 DCEDHM N#Cc1ccccc1OCC(=O)Nc1n[n-]c(SCCO)n1 ZINC000355418359 261339764 /nfs/dbraw/zinc/33/97/64/261339764.db2.gz FDMBAFLMBPQTJB-UHFFFAOYSA-N -1 3 319.346 0.778 20 30 DCEDHM Cc1cc(N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c(C#N)cc1[N+](=O)[O-] ZINC000413233153 262204709 /nfs/dbraw/zinc/20/47/09/262204709.db2.gz LCVQBGNGIDSNKJ-GFCCVEGCSA-N -1 3 315.289 0.515 20 30 DCEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1COCCN1 ZINC000528056260 268159764 /nfs/dbraw/zinc/15/97/64/268159764.db2.gz KRHTUSDHRSYHOG-VIFPVBQESA-N -1 3 315.782 0.478 20 30 DCEDHM N#Cc1cccc(C=CC(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)c1 ZINC000492051784 268264277 /nfs/dbraw/zinc/26/42/77/268264277.db2.gz SPWMKPOKGYEEQV-MUBLQREKSA-N -1 3 310.313 0.334 20 30 DCEDHM COC(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000493393048 272185353 /nfs/dbraw/zinc/18/53/53/272185353.db2.gz AWCAXLUFMSDSRJ-YSKGHYERSA-N -1 3 318.329 0.983 20 30 DCEDHM Cn1cnc(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)n1 ZINC000534334737 287812796 /nfs/dbraw/zinc/81/27/96/287812796.db2.gz RULQIXMCWVDVOM-UHFFFAOYSA-N -1 3 309.326 0.445 20 30 DCEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)S(C)(=O)=O ZINC000563459472 288678873 /nfs/dbraw/zinc/67/88/73/288678873.db2.gz ZMXBDBDEKOSKEA-MRVPVSSYSA-N -1 3 320.367 0.409 20 30 DCEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000365485587 303218679 /nfs/dbraw/zinc/21/86/79/303218679.db2.gz VFCYCJJMVDBBMT-FZMZJTMJSA-N -1 3 323.374 0.570 20 30 DCEDHM N#CC1(CNC(=O)CC[N-]S(=O)(=O)c2cccs2)CC1 ZINC000520951980 332131382 /nfs/dbraw/zinc/13/13/82/332131382.db2.gz CRPXPCSGVOENJY-UHFFFAOYSA-N -1 3 313.404 0.836 20 30 DCEDHM O=C(CNC(=O)c1ccsc1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1 ZINC000329945362 336098444 /nfs/dbraw/zinc/09/84/44/336098444.db2.gz JACZTGCHFHMWDQ-VIFPVBQESA-N -1 3 322.346 0.656 20 30 DCEDHM C=CCn1c(=O)[n-]nc1S(=O)(=O)Cc1noc(C(C)C)n1 ZINC000429912006 338091982 /nfs/dbraw/zinc/09/19/82/338091982.db2.gz UNNABPMGQKIUTM-UHFFFAOYSA-N -1 3 313.339 0.650 20 30 DCEDHM C#CCN(CC)C(=O)NCc1ccc(S(=O)(=O)[N-]C)s1 ZINC000490575690 339834756 /nfs/dbraw/zinc/83/47/56/339834756.db2.gz UKJBNYRUXIZEGW-UHFFFAOYSA-N -1 3 315.420 0.821 20 30 DCEDHM C#C[C@@H](CC)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC ZINC000491361295 339859380 /nfs/dbraw/zinc/85/93/80/339859380.db2.gz KLNSWYWTKDYMTL-JTQLQIEISA-N -1 3 316.404 0.285 20 30 DCEDHM COc1ccccc1[C@H](CO)[N-]S(=O)(=O)CC1(C#N)CC1 ZINC000547328469 341206180 /nfs/dbraw/zinc/20/61/80/341206180.db2.gz AENVYIFQDGBOLX-LBPRGKRZSA-N -1 3 310.375 0.952 20 30 DCEDHM N#CCCN(CCN1CCOCC1)C(=O)Cc1cncc([O-])c1 ZINC000568651790 341677696 /nfs/dbraw/zinc/67/76/96/341677696.db2.gz JJBFQNFBAJDEJT-UHFFFAOYSA-N -1 3 318.377 0.404 20 30 DCEDHM C[C@@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000576775867 341862811 /nfs/dbraw/zinc/86/28/11/341862811.db2.gz MCBCFNXKPREVCI-ZANVPECISA-N -1 3 314.338 0.516 20 30 DCEDHM C[C@@H](C#N)CNC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177661121 341922884 /nfs/dbraw/zinc/92/28/84/341922884.db2.gz WAIVYABXGUKPKH-VFZGTOFNSA-N -1 3 300.318 0.631 20 30 DCEDHM C[C@H](C#N)CNC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000177661089 341922888 /nfs/dbraw/zinc/92/28/88/341922888.db2.gz WAIVYABXGUKPKH-RFAUZJTJSA-N -1 3 300.318 0.631 20 30 DCEDHM C#CCCS(=O)(=O)[N-][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000368224593 526750291 /nfs/dbraw/zinc/75/02/91/526750291.db2.gz LAPORYAZZOBHMD-CHWSQXEVSA-N -1 3 301.408 0.639 20 30 DCEDHM C=CCOC[C@@H]([N-]S(=O)(=O)c1cncc(F)c1)C(=O)OC ZINC000360595668 526795107 /nfs/dbraw/zinc/79/51/07/526795107.db2.gz FYWQBJJJZNDCDD-LLVKDONJSA-N -1 3 318.326 0.243 20 30 DCEDHM C=CCNC(=O)Cn1c(C)nnc1-c1cccc(-c2nnn[n-]2)c1 ZINC000735432205 598827023 /nfs/dbraw/zinc/82/70/23/598827023.db2.gz OAFZWGYTSZJWOQ-UHFFFAOYSA-N -1 3 324.348 0.736 20 30 DCEDHM C=CCNC(=O)Cn1c(C)nnc1-c1cccc(-c2nn[n-]n2)c1 ZINC000735432205 598827024 /nfs/dbraw/zinc/82/70/24/598827024.db2.gz OAFZWGYTSZJWOQ-UHFFFAOYSA-N -1 3 324.348 0.736 20 30 DCEDHM C#CCN(CC)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000735374841 598870454 /nfs/dbraw/zinc/87/04/54/598870454.db2.gz MWKVIJUEBXFMHR-UHFFFAOYSA-N -1 3 309.326 0.650 20 30 DCEDHM C#CCN(CC)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000735374841 598870456 /nfs/dbraw/zinc/87/04/56/598870456.db2.gz MWKVIJUEBXFMHR-UHFFFAOYSA-N -1 3 309.326 0.650 20 30 DCEDHM C=CCNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735431623 598281894 /nfs/dbraw/zinc/28/18/94/598281894.db2.gz GMKWXOVKPUZLPP-UHFFFAOYSA-N -1 3 313.365 0.884 20 30 DCEDHM C=CCNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735431623 598281895 /nfs/dbraw/zinc/28/18/95/598281895.db2.gz GMKWXOVKPUZLPP-UHFFFAOYSA-N -1 3 313.365 0.884 20 30 DCEDHM N#C[C@H]1CN(C(=O)NCc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000737678816 598373111 /nfs/dbraw/zinc/37/31/11/598373111.db2.gz MNJKZKJTTANZBP-LBPRGKRZSA-N -1 3 313.321 0.301 20 30 DCEDHM N#C[C@H]1CN(C(=O)NCc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000737678816 598373113 /nfs/dbraw/zinc/37/31/13/598373113.db2.gz MNJKZKJTTANZBP-LBPRGKRZSA-N -1 3 313.321 0.301 20 30 DCEDHM N#C[C@H]1CN(Cc2cn3ccccc3c2-c2nnn[n-]2)CCO1 ZINC000737679225 598373140 /nfs/dbraw/zinc/37/31/40/598373140.db2.gz OFPYMWMKYLYNAG-LBPRGKRZSA-N -1 3 309.333 0.844 20 30 DCEDHM N#C[C@H]1CN(Cc2cn3ccccc3c2-c2nn[n-]n2)CCO1 ZINC000737679225 598373142 /nfs/dbraw/zinc/37/31/42/598373142.db2.gz OFPYMWMKYLYNAG-LBPRGKRZSA-N -1 3 309.333 0.844 20 30 DCEDHM N#CCNC(=O)COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000737695046 598542378 /nfs/dbraw/zinc/54/23/78/598542378.db2.gz JGBZPABRDVYHCY-WAYWQWQTSA-N -1 3 312.289 0.063 20 30 DCEDHM N#CCNC(=O)COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000737695046 598542379 /nfs/dbraw/zinc/54/23/79/598542379.db2.gz JGBZPABRDVYHCY-WAYWQWQTSA-N -1 3 312.289 0.063 20 30 DCEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCCCCO ZINC000737706752 598569642 /nfs/dbraw/zinc/56/96/42/598569642.db2.gz ZFTJPKDUGLUBQU-UHFFFAOYSA-N -1 3 305.367 0.970 20 30 DCEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCCCCO ZINC000737706752 598569644 /nfs/dbraw/zinc/56/96/44/598569644.db2.gz ZFTJPKDUGLUBQU-UHFFFAOYSA-N -1 3 305.367 0.970 20 30 DCEDHM N#Cc1nc(N)n(Cc2ccc(F)cc2-c2nnn[n-]2)c1C#N ZINC000737728282 598645005 /nfs/dbraw/zinc/64/50/05/598645005.db2.gz KWECDXQEGPGIOR-UHFFFAOYSA-N -1 3 309.268 0.576 20 30 DCEDHM N#Cc1nc(N)n(Cc2ccc(F)cc2-c2nn[n-]n2)c1C#N ZINC000737728282 598645007 /nfs/dbraw/zinc/64/50/07/598645007.db2.gz KWECDXQEGPGIOR-UHFFFAOYSA-N -1 3 309.268 0.576 20 30 DCEDHM COC[C@@](C)(CC(=O)[O-])NCC(=O)NC1(C#N)CCCCC1 ZINC000831572805 601134942 /nfs/dbraw/zinc/13/49/42/601134942.db2.gz FUCLPKSLNOKCGZ-CQSZACIVSA-N -1 3 311.382 0.798 20 30 DCEDHM CN(C[C@@H]1CN(C)CCO1)[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000830960713 601316832 /nfs/dbraw/zinc/31/68/32/601316832.db2.gz YORNYIJBVAKQBQ-GJZGRUSLSA-N -1 3 303.362 0.946 20 30 DCEDHM C#CCCNC(=O)NCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000823846127 607565731 /nfs/dbraw/zinc/56/57/31/607565731.db2.gz ZKJVDEHBWDRGKC-UHFFFAOYSA-N -1 3 300.322 0.698 20 30 DCEDHM C#CCCNC(=O)NCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000823846127 607565732 /nfs/dbraw/zinc/56/57/32/607565732.db2.gz ZKJVDEHBWDRGKC-UHFFFAOYSA-N -1 3 300.322 0.698 20 30 DCEDHM C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000824384387 607607588 /nfs/dbraw/zinc/60/75/88/607607588.db2.gz BHGZGLMEORNZQY-MRVPVSSYSA-N -1 3 324.341 0.928 20 30 DCEDHM N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC000826380530 607661397 /nfs/dbraw/zinc/66/13/97/607661397.db2.gz DDXKGXHBOFYICX-ONGXEEELSA-N -1 3 318.362 0.837 20 30 DCEDHM N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC000826380530 607661399 /nfs/dbraw/zinc/66/13/99/607661399.db2.gz DDXKGXHBOFYICX-ONGXEEELSA-N -1 3 318.362 0.837 20 30 DCEDHM CC(C)NC(=O)C(C#N)C(=O)CN(C[C@H]1CCCO1)C(=O)[O-] ZINC000824368212 604220898 /nfs/dbraw/zinc/22/08/98/604220898.db2.gz KQKAHJYAGDGUDK-MNOVXSKESA-N -1 3 311.338 0.379 20 30 DCEDHM Cn1cncc1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000822705129 606590066 /nfs/dbraw/zinc/59/00/66/606590066.db2.gz WKSBKSLUUJZIHS-UHFFFAOYSA-N -1 3 313.350 0.741 20 30 DCEDHM Cn1cncc1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000822705129 606590068 /nfs/dbraw/zinc/59/00/68/606590068.db2.gz WKSBKSLUUJZIHS-UHFFFAOYSA-N -1 3 313.350 0.741 20 30 DCEDHM Cc1nn(CC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(N)c1C#N ZINC000822500951 606654416 /nfs/dbraw/zinc/65/44/16/606654416.db2.gz OECBFKIVEUIXCB-UHFFFAOYSA-N -1 3 323.320 0.464 20 30 DCEDHM Cc1nn(CC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(N)c1C#N ZINC000822500951 606654417 /nfs/dbraw/zinc/65/44/17/606654417.db2.gz OECBFKIVEUIXCB-UHFFFAOYSA-N -1 3 323.320 0.464 20 30 DCEDHM N#C[C@H]1COCCN1CC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822806848 606771134 /nfs/dbraw/zinc/77/11/34/606771134.db2.gz UHSMPWBZLMDGRJ-LBPRGKRZSA-N -1 3 313.321 0.030 20 30 DCEDHM N#C[C@H]1COCCN1CC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822806848 606771135 /nfs/dbraw/zinc/77/11/35/606771135.db2.gz UHSMPWBZLMDGRJ-LBPRGKRZSA-N -1 3 313.321 0.030 20 30 DCEDHM N#Cc1nc(N)n(Cc2cc(F)ccc2-c2nnn[n-]2)c1C#N ZINC000822846329 607040242 /nfs/dbraw/zinc/04/02/42/607040242.db2.gz XBSOKJCHASCHDR-UHFFFAOYSA-N -1 3 309.268 0.576 20 30 DCEDHM N#Cc1nc(N)n(Cc2cc(F)ccc2-c2nn[n-]n2)c1C#N ZINC000822846329 607040243 /nfs/dbraw/zinc/04/02/43/607040243.db2.gz XBSOKJCHASCHDR-UHFFFAOYSA-N -1 3 309.268 0.576 20 30 DCEDHM CCC[C@H](C#N)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821008809 607223562 /nfs/dbraw/zinc/22/35/62/607223562.db2.gz LRBWILKXIBYWLZ-SNVBAGLBSA-N -1 3 306.351 0.837 20 30 DCEDHM CCC[C@H](C#N)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821008809 607223563 /nfs/dbraw/zinc/22/35/63/607223563.db2.gz LRBWILKXIBYWLZ-SNVBAGLBSA-N -1 3 306.351 0.837 20 30 DCEDHM C#CCN(CC)CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823844623 607815008 /nfs/dbraw/zinc/81/50/08/607815008.db2.gz DLZVWEURFFDKDJ-UHFFFAOYSA-N -1 3 319.390 0.596 20 30 DCEDHM C#CCN(CC)CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823844623 607815009 /nfs/dbraw/zinc/81/50/09/607815009.db2.gz DLZVWEURFFDKDJ-UHFFFAOYSA-N -1 3 319.390 0.596 20 30 DCEDHM C#CCOCCC(=O)OCCOc1cccc(-c2nnn[n-]2)c1 ZINC000823856638 607916424 /nfs/dbraw/zinc/91/64/24/607916424.db2.gz VOCOJSNBGBEUDB-UHFFFAOYSA-N -1 3 316.317 0.829 20 30 DCEDHM C#CCOCCC(=O)OCCOc1cccc(-c2nn[n-]n2)c1 ZINC000823856638 607916425 /nfs/dbraw/zinc/91/64/25/607916425.db2.gz VOCOJSNBGBEUDB-UHFFFAOYSA-N -1 3 316.317 0.829 20 30 DCEDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NC1=NO[C@H](C)C1 ZINC000824885291 608207827 /nfs/dbraw/zinc/20/78/27/608207827.db2.gz ROTGDCIMPMASOZ-BDAKNGLRSA-N -1 3 316.321 0.873 20 30 DCEDHM CCCn1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)nn1 ZINC000825356606 608307551 /nfs/dbraw/zinc/30/75/51/608307551.db2.gz AAQWDXIKUYZQLF-UHFFFAOYSA-N -1 3 323.320 0.992 20 30 DCEDHM CCCn1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1 ZINC000825356606 608307552 /nfs/dbraw/zinc/30/75/52/608307552.db2.gz 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ZINC001588738652 1166585430 /nfs/dbraw/zinc/58/54/30/1166585430.db2.gz PTOSTJMXKYMQKN-ZDUSSCGKSA-N -1 3 313.361 0.988 20 30 DCEDHM CC(=NNCCS(C)(=O)=O)c1ccccc1-c1nnn[n-]1 ZINC001588777400 1166586587 /nfs/dbraw/zinc/58/65/87/1166586587.db2.gz SFPCMEBPKOFJRD-UHFFFAOYSA-N -1 3 308.367 0.225 20 30 DCEDHM CC(=NN[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nnn[n-]2)c1 ZINC001588776426 1166586955 /nfs/dbraw/zinc/58/69/55/1166586955.db2.gz NGURTOTZZWEJFY-GFCCVEGCSA-N -1 3 320.378 0.367 20 30 DCEDHM CC(=NN[C@@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[n-]n2)c1 ZINC001588776426 1166586960 /nfs/dbraw/zinc/58/69/60/1166586960.db2.gz NGURTOTZZWEJFY-GFCCVEGCSA-N -1 3 320.378 0.367 20 30 DCEDHM CC(=O)NCCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC001588862498 1166611028 /nfs/dbraw/zinc/61/10/28/1166611028.db2.gz RGXGEJBCZLSASU-UHFFFAOYSA-N -1 3 318.366 0.334 20 30 DCEDHM CC(=O)NCCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC001588862498 1166611031 /nfs/dbraw/zinc/61/10/31/1166611031.db2.gz RGXGEJBCZLSASU-UHFFFAOYSA-N -1 3 318.366 0.334 20 30 DCEDHM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001588928605 1166618828 /nfs/dbraw/zinc/61/88/28/1166618828.db2.gz PFLYOASOSDBXBZ-VHSXEESVSA-N -1 3 312.337 0.116 20 30 DCEDHM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001588928605 1166618831 /nfs/dbraw/zinc/61/88/31/1166618831.db2.gz PFLYOASOSDBXBZ-VHSXEESVSA-N -1 3 312.337 0.116 20 30 DCEDHM CC(C)(C)[C@H](C#N)NS(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001589085726 1166633763 /nfs/dbraw/zinc/63/37/63/1166633763.db2.gz FPBLHRIJOYRAAP-JTQLQIEISA-N -1 3 321.366 0.478 20 30 DCEDHM CC(C)(C)[C@H](C#N)NS(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001589085726 1166633767 /nfs/dbraw/zinc/63/37/67/1166633767.db2.gz FPBLHRIJOYRAAP-JTQLQIEISA-N -1 3 321.366 0.478 20 30 DCEDHM C[C@H](CC#N)NCCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001589787811 1166688057 /nfs/dbraw/zinc/68/80/57/1166688057.db2.gz PTVDWXIILGNSBM-SNVBAGLBSA-N -1 3 320.378 0.532 20 30 DCEDHM C[C@H](CC#N)NCCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001589787811 1166688059 /nfs/dbraw/zinc/68/80/59/1166688059.db2.gz PTVDWXIILGNSBM-SNVBAGLBSA-N -1 3 320.378 0.532 20 30 DCEDHM C[C@H](CC#N)C(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC001589786730 1166688529 /nfs/dbraw/zinc/68/85/29/1166688529.db2.gz KIOYVFQNNBZZLG-SECBINFHSA-N -1 3 300.326 0.340 20 30 DCEDHM C[C@H](CC#N)C(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC001589786730 1166688533 /nfs/dbraw/zinc/68/85/33/1166688533.db2.gz KIOYVFQNNBZZLG-SECBINFHSA-N -1 3 300.326 0.340 20 30 DCEDHM C[C@@H](CO)COC(=O)[C@H](C#N)Cc1ccc(-c2nnn[n-]2)cc1 ZINC001589883033 1166706074 /nfs/dbraw/zinc/70/60/74/1166706074.db2.gz WLTXDVHRHIFCID-GWCFXTLKSA-N -1 3 315.333 0.721 20 30 DCEDHM C[C@@H](CO)COC(=O)[C@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001589883033 1166706080 /nfs/dbraw/zinc/70/60/80/1166706080.db2.gz WLTXDVHRHIFCID-GWCFXTLKSA-N -1 3 315.333 0.721 20 30 DCEDHM CC1(C)C[C@]1(C#N)NC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC001590084455 1166771854 /nfs/dbraw/zinc/77/18/54/1166771854.db2.gz FMXZTCMBQUTUBY-XHDPSFHLSA-N -1 3 312.333 0.709 20 30 DCEDHM CC1(C)C[C@]1(C#N)NC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC001590084455 1166771862 /nfs/dbraw/zinc/77/18/62/1166771862.db2.gz FMXZTCMBQUTUBY-XHDPSFHLSA-N -1 3 312.333 0.709 20 30 DCEDHM C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CN1CC#N ZINC001590235645 1166824401 /nfs/dbraw/zinc/82/44/01/1166824401.db2.gz WYPMMAJWSAYCQG-MWLCHTKSSA-N -1 3 314.353 0.301 20 30 DCEDHM C[C@@H]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CN1CC#N ZINC001590235645 1166824403 /nfs/dbraw/zinc/82/44/03/1166824403.db2.gz WYPMMAJWSAYCQG-MWLCHTKSSA-N -1 3 314.353 0.301 20 30 DCEDHM CC[C@@H](CC#N)NS(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001590420296 1166902165 /nfs/dbraw/zinc/90/21/65/1166902165.db2.gz WMQNJIGRTDGGHL-VIFPVBQESA-N -1 3 306.351 0.837 20 30 DCEDHM CC[C@@H](CC#N)NS(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590420296 1166902174 /nfs/dbraw/zinc/90/21/74/1166902174.db2.gz WMQNJIGRTDGGHL-VIFPVBQESA-N -1 3 306.351 0.837 20 30 DCEDHM CCc1nccn1CCNc1cnc(C#N)c(-c2nnn[n-]2)n1 ZINC001590926078 1167052329 /nfs/dbraw/zinc/05/23/29/1167052329.db2.gz CTIZEPJJUGUQDD-UHFFFAOYSA-N -1 3 310.325 0.399 20 30 DCEDHM CCc1nccn1CCNc1cnc(C#N)c(-c2nn[n-]n2)n1 ZINC001590926078 1167052337 /nfs/dbraw/zinc/05/23/37/1167052337.db2.gz CTIZEPJJUGUQDD-UHFFFAOYSA-N -1 3 310.325 0.399 20 30 DCEDHM COC(=O)[C@H]1CCCC[C@@H]1Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC001591253950 1167179825 /nfs/dbraw/zinc/17/98/25/1167179825.db2.gz GEWSEIRHWPGCRU-ZJUUUORDSA-N -1 3 315.337 0.914 20 30 DCEDHM COCCN(CC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001591421728 1167277921 /nfs/dbraw/zinc/27/79/21/1167277921.db2.gz FWWAECJAVWYXQN-UHFFFAOYSA-N -1 3 322.350 0.027 20 30 DCEDHM COCCN(CC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001591421728 1167277928 /nfs/dbraw/zinc/27/79/28/1167277928.db2.gz FWWAECJAVWYXQN-UHFFFAOYSA-N -1 3 322.350 0.027 20 30 DCEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N[C@@H](C)CC#N ZINC001591497759 1167314658 /nfs/dbraw/zinc/31/46/58/1167314658.db2.gz HSCROMXLSGSHDK-VIFPVBQESA-N -1 3 316.321 0.672 20 30 DCEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N[C@@H](C)CC#N ZINC001591497759 1167314663 /nfs/dbraw/zinc/31/46/63/1167314663.db2.gz HSCROMXLSGSHDK-VIFPVBQESA-N -1 3 316.321 0.672 20 30 DCEDHM COc1ccc(-c2nn[n-]n2)cc1Cn1cncc(C#N)c1=O ZINC001591564696 1167331754 /nfs/dbraw/zinc/33/17/54/1167331754.db2.gz LVKKZTIGPBHLCQ-UHFFFAOYSA-N -1 3 309.289 0.352 20 30 DCEDHM Cc1cc(-c2nnn[n-]2)cnc1C(=O)N[C@@](C)(C#N)CN(C)C ZINC001591877988 1167406348 /nfs/dbraw/zinc/40/63/48/1167406348.db2.gz HLQDHSYTKYEDBZ-AWEZNQCLSA-N -1 3 314.353 0.144 20 30 DCEDHM Cc1cc(-c2nn[n-]n2)cnc1C(=O)N[C@@](C)(C#N)CN(C)C ZINC001591877988 1167406351 /nfs/dbraw/zinc/40/63/51/1167406351.db2.gz HLQDHSYTKYEDBZ-AWEZNQCLSA-N -1 3 314.353 0.144 20 30 DCEDHM N#C[C@H]1COCCN1C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC001592672152 1167595019 /nfs/dbraw/zinc/59/50/19/1167595019.db2.gz YRVMSDQUDUCKRB-VIFPVBQESA-N -1 3 318.724 0.885 20 30 DCEDHM N#C[C@H]1COCCN1C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC001592672152 1167595026 /nfs/dbraw/zinc/59/50/26/1167595026.db2.gz YRVMSDQUDUCKRB-VIFPVBQESA-N -1 3 318.724 0.885 20 30 DCEDHM N#CC1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001592671945 1167595207 /nfs/dbraw/zinc/59/52/07/1167595207.db2.gz TVAPHPMMDWGLAZ-UHFFFAOYSA-N -1 3 304.335 0.152 20 30 DCEDHM N#CC1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001592671945 1167595211 /nfs/dbraw/zinc/59/52/11/1167595211.db2.gz TVAPHPMMDWGLAZ-UHFFFAOYSA-N -1 3 304.335 0.152 20 30 DCEDHM N#CCC1CN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)C1 ZINC001592673694 1167596578 /nfs/dbraw/zinc/59/65/78/1167596578.db2.gz KKWMSELUSJNWBL-UHFFFAOYSA-N -1 3 318.362 0.542 20 30 DCEDHM N#CCC1CN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)C1 ZINC001592673694 1167596583 /nfs/dbraw/zinc/59/65/83/1167596583.db2.gz KKWMSELUSJNWBL-UHFFFAOYSA-N -1 3 318.362 0.542 20 30 DCEDHM N#Cc1cc(-c2nnn[n-]2)c(SC2CCOCC2)nc1N ZINC001592687399 1167602232 /nfs/dbraw/zinc/60/22/32/1167602232.db2.gz UBAHFLVITFHZPK-UHFFFAOYSA-N -1 3 303.351 0.987 20 30 DCEDHM N#Cc1cc(-c2nn[n-]n2)c(SC2CCOCC2)nc1N ZINC001592687399 1167602234 /nfs/dbraw/zinc/60/22/34/1167602234.db2.gz UBAHFLVITFHZPK-UHFFFAOYSA-N -1 3 303.351 0.987 20 30 DCEDHM N#Cc1ccnc(C(=O)NCc2cncc(-c3nnn[n-]3)c2)c1 ZINC001592702555 1167604753 /nfs/dbraw/zinc/60/47/53/1167604753.db2.gz NIJLMRBFBYJAEJ-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM N#Cc1ccnc(C(=O)NCc2cncc(-c3nn[n-]n3)c2)c1 ZINC001592702555 1167604758 /nfs/dbraw/zinc/60/47/58/1167604758.db2.gz NIJLMRBFBYJAEJ-UHFFFAOYSA-N -1 3 306.289 0.458 20 30 DCEDHM N#Cc1ncc(N[C@@H]2CCn3ccnc3C2)nc1-c1nn[n-]n1 ZINC001592709723 1167609314 /nfs/dbraw/zinc/60/93/14/1167609314.db2.gz AZVPEAPUVGBWSN-MRVPVSSYSA-N -1 3 308.309 0.152 20 30 DCEDHM O=S1(=O)CCC[C@H](NN=Cc2ccc(-c3nnn[n-]3)cc2)C1 ZINC001593463380 1167852300 /nfs/dbraw/zinc/85/23/00/1167852300.db2.gz PECKEECOIYQSME-LBPRGKRZSA-N -1 3 320.378 0.367 20 30 DCEDHM O=S1(=O)CCC[C@H](NN=Cc2ccc(-c3nn[n-]n3)cc2)C1 ZINC001593463380 1167852319 /nfs/dbraw/zinc/85/23/19/1167852319.db2.gz PECKEECOIYQSME-LBPRGKRZSA-N -1 3 320.378 0.367 20 30 DCEDHM C#C[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602690602 1169159801 /nfs/dbraw/zinc/15/98/01/1169159801.db2.gz XLMGRSWRSCNPAM-ZETCQYMHSA-N -1 3 318.724 0.597 20 30 DCEDHM C#C[C@H](C)NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001602690602 1169159807 /nfs/dbraw/zinc/15/98/07/1169159807.db2.gz XLMGRSWRSCNPAM-ZETCQYMHSA-N -1 3 318.724 0.597 20 30 DCEDHM C#CCNC(=O)COC(=O)c1c(C)cc(-c2nnn[n-]2)cc1C ZINC001602722195 1169171958 /nfs/dbraw/zinc/17/19/58/1169171958.db2.gz GIOQTBBQAFULBN-UHFFFAOYSA-N -1 3 313.317 0.390 20 30 DCEDHM C#CCNC(=O)COC(=O)c1c(C)cc(-c2nn[n-]n2)cc1C ZINC001602722195 1169171960 /nfs/dbraw/zinc/17/19/60/1169171960.db2.gz GIOQTBBQAFULBN-UHFFFAOYSA-N -1 3 313.317 0.390 20 30 DCEDHM C#CCN1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)[O-])C[C@H]32)CC1 ZINC001602721179 1169173710 /nfs/dbraw/zinc/17/37/10/1169173710.db2.gz ZDBDQFKFBVIHLJ-TUVASFSCSA-N -1 3 304.390 0.947 20 30 DCEDHM C#CCOCCNC(=O)Nc1ccc(-c2nnn[n-]2)cc1OC ZINC001602729524 1169174298 /nfs/dbraw/zinc/17/42/98/1169174298.db2.gz VXMBAPARJPOVHV-UHFFFAOYSA-N -1 3 316.321 0.647 20 30 DCEDHM C#CCOCCNC(=O)Nc1ccc(-c2nn[n-]n2)cc1OC ZINC001602729524 1169174304 /nfs/dbraw/zinc/17/43/04/1169174304.db2.gz VXMBAPARJPOVHV-UHFFFAOYSA-N -1 3 316.321 0.647 20 30 DCEDHM C=CCOCCN1CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC001602869529 1169195451 /nfs/dbraw/zinc/19/54/51/1169195451.db2.gz FDIFRKAMXJZOQT-UHFFFAOYSA-N -1 3 315.381 0.586 20 30 DCEDHM C=C[C@H](CO)NCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001602888374 1169199447 /nfs/dbraw/zinc/19/94/47/1169199447.db2.gz QQRHRLXJHNVDDC-MRVPVSSYSA-N -1 3 322.756 0.595 20 30 DCEDHM CC#CCCNS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC001602893990 1169200486 /nfs/dbraw/zinc/20/04/86/1169200486.db2.gz MZLJIPBZCUNXIP-UHFFFAOYSA-N -1 3 323.353 0.839 20 30 DCEDHM CC#CCCNS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC001602893990 1169200500 /nfs/dbraw/zinc/20/05/00/1169200500.db2.gz MZLJIPBZCUNXIP-UHFFFAOYSA-N -1 3 323.353 0.839 20 30 DCEDHM CC(C)(C#N)C(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC001603034612 1169235765 /nfs/dbraw/zinc/23/57/65/1169235765.db2.gz LLSRGADVVKZINV-UHFFFAOYSA-N -1 3 300.326 0.340 20 30 DCEDHM CC(C)(C#N)C(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC001603034612 1169235772 /nfs/dbraw/zinc/23/57/72/1169235772.db2.gz LLSRGADVVKZINV-UHFFFAOYSA-N -1 3 300.326 0.340 20 30 DCEDHM C[C@H](CC#N)N(C)S(=O)(=O)c1cncc(-c2nnn[n-]2)c1 ZINC001603443829 1169305338 /nfs/dbraw/zinc/30/53/38/1169305338.db2.gz ZTZNUXILZFYYNA-MRVPVSSYSA-N -1 3 307.339 0.184 20 30 DCEDHM C[C@H](CC#N)N(C)S(=O)(=O)c1cncc(-c2nn[n-]n2)c1 ZINC001603443829 1169305344 /nfs/dbraw/zinc/30/53/44/1169305344.db2.gz ZTZNUXILZFYYNA-MRVPVSSYSA-N -1 3 307.339 0.184 20 30 DCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C[C@@H](C)N1CC#N ZINC001603927966 1169438537 /nfs/dbraw/zinc/43/85/37/1169438537.db2.gz CRYXSGDZANNYCU-NXEZZACHSA-N -1 3 314.353 0.253 20 30 DCEDHM C[C@@H]1CN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C[C@@H](C)N1CC#N ZINC001603927966 1169438546 /nfs/dbraw/zinc/43/85/46/1169438546.db2.gz CRYXSGDZANNYCU-NXEZZACHSA-N 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