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C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)N1CCO[C@H](C#N)C1 ZINC000820444266 607022402 /nfs/dbraw/zinc/02/24/02/607022402.db2.gz HZZQPHZENUDDDT-ZYHUDNBSSA-N -1 3 391.413 -0.716 20 30 GBEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N1CCO[C@H](C#N)C1 ZINC000820444266 607022400 /nfs/dbraw/zinc/02/24/00/607022400.db2.gz HZZQPHZENUDDDT-ZYHUDNBSSA-N -1 3 391.413 -0.716 20 30 GBEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)n1ncc(C#N)c1N ZINC000820444539 945451089 /nfs/dbraw/zinc/45/10/89/945451089.db2.gz KFRWPLNWRKIDRW-MRVPVSSYSA-N -1 3 387.385 -0.476 20 30 GBEDHM C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)n1ncc(C#N)c1N ZINC000820444539 945451085 /nfs/dbraw/zinc/45/10/85/945451085.db2.gz KFRWPLNWRKIDRW-MRVPVSSYSA-N -1 3 387.385 -0.476 20 30 GBEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)n1ncc(C#N)c1N ZINC000820444543 945450730 /nfs/dbraw/zinc/45/07/30/945450730.db2.gz KFRWPLNWRKIDRW-QMMMGPOBSA-N -1 3 387.385 -0.476 20 30 GBEDHM 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C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C#N)C1CC1 ZINC000820445606 607024432 /nfs/dbraw/zinc/02/44/32/607024432.db2.gz QZBIHSZWCIQIBW-ZANVPECISA-N -1 3 375.414 -0.048 20 30 GBEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)n1ncc(C#N)c1N ZINC000820451915 945455391 /nfs/dbraw/zinc/45/53/91/945455391.db2.gz YKYNREMTJXESBK-MRVPVSSYSA-N -1 3 387.385 -0.476 20 30 GBEDHM C[C@@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)n1ncc(C#N)c1N ZINC000820451915 945455385 /nfs/dbraw/zinc/45/53/85/945455385.db2.gz YKYNREMTJXESBK-MRVPVSSYSA-N -1 3 387.385 -0.476 20 30 GBEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)n1ncc(C#N)c1N ZINC000820451918 945455778 /nfs/dbraw/zinc/45/57/78/945455778.db2.gz YKYNREMTJXESBK-QMMMGPOBSA-N -1 3 387.385 -0.476 20 30 GBEDHM C[C@H](NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)n1ncc(C#N)c1N ZINC000820451918 945455771 /nfs/dbraw/zinc/45/57/71/945455771.db2.gz YKYNREMTJXESBK-QMMMGPOBSA-N -1 3 387.385 -0.476 20 30 GBEDHM 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COC[C@@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821680144 607358814 /nfs/dbraw/zinc/35/88/14/607358814.db2.gz AHBBWWYIASVQIP-MEBBXXQBSA-N -1 3 393.429 -0.422 20 30 GBEDHM COC[C@@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821680145 607358827 /nfs/dbraw/zinc/35/88/27/607358827.db2.gz AHBBWWYIASVQIP-ZUZCIYMTSA-N -1 3 393.429 -0.422 20 30 GBEDHM COC[C@@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821680145 607358826 /nfs/dbraw/zinc/35/88/26/607358826.db2.gz AHBBWWYIASVQIP-ZUZCIYMTSA-N -1 3 393.429 -0.422 20 30 GBEDHM COC[C@](C)(CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821680361 606322115 /nfs/dbraw/zinc/32/21/15/606322115.db2.gz HEZJRRULCNBUMO-KRWDZBQOSA-N -1 3 397.399 -0.041 20 30 GBEDHM COC[C@](C)(CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821680361 606322114 /nfs/dbraw/zinc/32/21/14/606322114.db2.gz HEZJRRULCNBUMO-KRWDZBQOSA-N -1 3 397.399 -0.041 20 30 GBEDHM COC[C@@](C)(CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821680362 606322095 /nfs/dbraw/zinc/32/20/95/606322095.db2.gz HEZJRRULCNBUMO-QGZVFWFLSA-N -1 3 397.399 -0.041 20 30 GBEDHM COC[C@@](C)(CNC(=O)c1cc(C#N)c[nH]1)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821680362 606322093 /nfs/dbraw/zinc/32/20/93/606322093.db2.gz HEZJRRULCNBUMO-QGZVFWFLSA-N -1 3 397.399 -0.041 20 30 GBEDHM COC[C@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821680462 607358793 /nfs/dbraw/zinc/35/87/93/607358793.db2.gz KCSNSMUIZOGMJO-BMIGLBTASA-N -1 3 393.429 -0.422 20 30 GBEDHM COC[C@](C)(C#N)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821680462 607358792 /nfs/dbraw/zinc/35/87/92/607358792.db2.gz KCSNSMUIZOGMJO-BMIGLBTASA-N -1 3 393.429 -0.422 20 30 GBEDHM COC[C@](C)(C#N)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821680463 607358384 /nfs/dbraw/zinc/35/83/84/607358384.db2.gz KCSNSMUIZOGMJO-BONVTDFDSA-N -1 3 393.429 -0.422 20 30 GBEDHM 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N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001571147977 952664515 /nfs/dbraw/zinc/66/45/15/952664515.db2.gz SGOQDVQCZVKEIG-SSDOTTSWSA-N -1 3 379.427 -0.189 20 30 GBEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001571147978 952664726 /nfs/dbraw/zinc/66/47/26/952664726.db2.gz SGOQDVQCZVKEIG-ZETCQYMHSA-N -1 3 379.427 -0.189 20 30 GBEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001571147978 952664724 /nfs/dbraw/zinc/66/47/24/952664724.db2.gz SGOQDVQCZVKEIG-ZETCQYMHSA-N -1 3 379.427 -0.189 20 30 GBEDHM N#Cc1cc(-c2nn[n-]n2)c(SCC(=O)[C@@H]2CCS(=O)(=O)C2)nc1N ZINC001571148419 952667814 /nfs/dbraw/zinc/66/78/14/952667814.db2.gz ZBQKUHPLKYRQSI-SSDOTTSWSA-N -1 3 379.427 -0.189 20 30 GBEDHM N#Cc1cc(-c2nnn[n-]2)c(SCC(=O)[C@@H]2CCS(=O)(=O)C2)nc1N ZINC001571148419 952667813 /nfs/dbraw/zinc/66/78/13/952667813.db2.gz ZBQKUHPLKYRQSI-SSDOTTSWSA-N -1 3 379.427 -0.189 20 30 GBEDHM N#Cc1cc(-c2nn[n-]n2)c(SCC(=O)[C@H]2CCS(=O)(=O)C2)nc1N ZINC001571148420 952667352 /nfs/dbraw/zinc/66/73/52/952667352.db2.gz ZBQKUHPLKYRQSI-ZETCQYMHSA-N -1 3 379.427 -0.189 20 30 GBEDHM N#Cc1cc(-c2nnn[n-]2)c(SCC(=O)[C@H]2CCS(=O)(=O)C2)nc1N ZINC001571148420 952667348 /nfs/dbraw/zinc/66/73/48/952667348.db2.gz ZBQKUHPLKYRQSI-ZETCQYMHSA-N -1 3 379.427 -0.189 20 30 GBEDHM N#Cc1cnc(NC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)cn1 ZINC001571152024 952680157 /nfs/dbraw/zinc/68/01/57/952680157.db2.gz BHWIFGVJFNQXDN-LLVKDONJSA-N -1 3 380.372 -0.190 20 30 GBEDHM N#Cc1cnc(NC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)cn1 ZINC001571152024 952680151 /nfs/dbraw/zinc/68/01/51/952680151.db2.gz BHWIFGVJFNQXDN-LLVKDONJSA-N -1 3 380.372 -0.190 20 30 GBEDHM N#Cc1cnc(NC[C@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)CCO2)cn1 ZINC001571152025 952680286 /nfs/dbraw/zinc/68/02/86/952680286.db2.gz BHWIFGVJFNQXDN-NSHDSACASA-N -1 3 380.372 -0.190 20 30 GBEDHM N#Cc1cnc(NC[C@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)CCO2)cn1 ZINC001571152025 952680284 /nfs/dbraw/zinc/68/02/84/952680284.db2.gz 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N#Cc1ccc(N2CCO[C@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001571152246 952682481 /nfs/dbraw/zinc/68/24/81/952682481.db2.gz FYULFYNODGKCTL-LLVKDONJSA-N -1 3 380.372 -0.508 20 30 GBEDHM N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)nn1 ZINC001571152247 952682208 /nfs/dbraw/zinc/68/22/08/952682208.db2.gz FYULFYNODGKCTL-NSHDSACASA-N -1 3 380.372 -0.508 20 30 GBEDHM N#Cc1ccc(N2CCO[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)nn1 ZINC001571152247 952682205 /nfs/dbraw/zinc/68/22/05/952682205.db2.gz FYULFYNODGKCTL-NSHDSACASA-N -1 3 380.372 -0.508 20 30 GBEDHM N#Cc1ccc(NC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)nn1 ZINC001571153384 952686061 /nfs/dbraw/zinc/68/60/61/952686061.db2.gz QGMSPDAGWLKAJT-GFCCVEGCSA-N -1 3 380.372 -0.190 20 30 GBEDHM N#Cc1ccc(NC[C@@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)nn1 ZINC001571153384 952686059 /nfs/dbraw/zinc/68/60/59/952686059.db2.gz QGMSPDAGWLKAJT-GFCCVEGCSA-N -1 3 380.372 -0.190 20 30 GBEDHM N#Cc1ccc(NC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)CCO2)nn1 ZINC001571153385 952686278 /nfs/dbraw/zinc/68/62/78/952686278.db2.gz QGMSPDAGWLKAJT-LBPRGKRZSA-N -1 3 380.372 -0.190 20 30 GBEDHM N#Cc1ccc(NC[C@H]2CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)CCO2)nn1 ZINC001571153385 952686275 /nfs/dbraw/zinc/68/62/75/952686275.db2.gz QGMSPDAGWLKAJT-LBPRGKRZSA-N -1 3 380.372 -0.190 20 30 GBEDHM N#Cc1nccc(NC[C@@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)n1 ZINC001571154113 952689212 /nfs/dbraw/zinc/68/92/12/952689212.db2.gz YNVDFPVBRDYUFB-LLVKDONJSA-N -1 3 380.372 -0.769 20 30 GBEDHM N#Cc1nccc(NC[C@@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)n1 ZINC001571154113 952689209 /nfs/dbraw/zinc/68/92/09/952689209.db2.gz YNVDFPVBRDYUFB-LLVKDONJSA-N -1 3 380.372 -0.769 20 30 GBEDHM N#Cc1nccc(NC[C@H]2CN(C(=O)c3cc(-c4nn[n-]n4)c[nH]3)CCO2)n1 ZINC001571154116 952689659 /nfs/dbraw/zinc/68/96/59/952689659.db2.gz YNVDFPVBRDYUFB-NSHDSACASA-N -1 3 380.372 -0.769 20 30 GBEDHM N#Cc1nccc(NC[C@H]2CN(C(=O)c3cc(-c4nnn[n-]4)c[nH]3)CCO2)n1 ZINC001571154116 952689658 /nfs/dbraw/zinc/68/96/58/952689658.db2.gz YNVDFPVBRDYUFB-NSHDSACASA-N -1 3 380.372 -0.769 20 30 GBEDHM C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001571190806 952944168 /nfs/dbraw/zinc/94/41/68/952944168.db2.gz MKBDZIPAQPPSBN-GHMZBOCLSA-N -1 3 382.222 -0.122 20 30 GBEDHM C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001571190806 952944165 /nfs/dbraw/zinc/94/41/65/952944165.db2.gz MKBDZIPAQPPSBN-GHMZBOCLSA-N -1 3 382.222 -0.122 20 30 GBEDHM C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571195093 952973220 /nfs/dbraw/zinc/97/32/20/952973220.db2.gz YDEDEXNQETWALK-GHMZBOCLSA-N -1 3 382.222 -0.122 20 30 GBEDHM C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571195093 952973214 /nfs/dbraw/zinc/97/32/14/952973214.db2.gz YDEDEXNQETWALK-GHMZBOCLSA-N -1 3 382.222 -0.122 20 30 GBEDHM C[C@H](C#N)C(=O)N1CC[C@@H](N2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571205710 953041270 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TYQKGLFNCIBQIZ-UHFFFAOYSA-N -1 3 382.432 -0.337 20 30 GBEDHM N#Cc1ncc(N2CCCN(CC(=O)N3CCCC3)CC2)nc1-c1nn[n-]n1 ZINC001571210824 953075869 /nfs/dbraw/zinc/07/58/69/953075869.db2.gz XMXMQNVPBMLWCF-UHFFFAOYSA-N -1 3 382.432 -0.337 20 30 GBEDHM N#Cc1ncc(N2CCCN(CC(=O)N3CCCC3)CC2)nc1-c1nnn[n-]1 ZINC001571210824 953075863 /nfs/dbraw/zinc/07/58/63/953075863.db2.gz XMXMQNVPBMLWCF-UHFFFAOYSA-N -1 3 382.432 -0.337 20 30 GBEDHM COc1cc(-c2nn[n-]n2)ccc1Cn1c(=O)c(C#N)c(C)n(CCO)c1=O ZINC001571219068 953122485 /nfs/dbraw/zinc/12/24/85/953122485.db2.gz UKZCWJKVKZIUID-UHFFFAOYSA-N -1 3 383.368 -0.581 20 30 GBEDHM COc1cc(-c2nnn[n-]2)ccc1Cn1c(=O)c(C#N)c(C)n(CCO)c1=O ZINC001571219068 953122483 /nfs/dbraw/zinc/12/24/83/953122483.db2.gz UKZCWJKVKZIUID-UHFFFAOYSA-N -1 3 383.368 -0.581 20 30 GBEDHM C[C@@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571235592 953213951 /nfs/dbraw/zinc/21/39/51/953213951.db2.gz KBTGOZJURUVRFH-APPDUMDISA-N -1 3 384.400 -0.202 20 30 GBEDHM C[C@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571235593 953213836 /nfs/dbraw/zinc/21/38/36/953213836.db2.gz KBTGOZJURUVRFH-DIFFPNOSSA-N -1 3 384.400 -0.202 20 30 GBEDHM C[C@@H](C#N)C(=O)N1CCO[C@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571235594 953213387 /nfs/dbraw/zinc/21/33/87/953213387.db2.gz KBTGOZJURUVRFH-GTNSWQLSSA-N -1 3 384.400 -0.202 20 30 GBEDHM C[C@H](C#N)C(=O)N1CCO[C@@]2(CCN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001571235595 953213823 /nfs/dbraw/zinc/21/38/23/953213823.db2.gz KBTGOZJURUVRFH-PIGZYNQJSA-N -1 3 384.400 -0.202 20 30 GBEDHM COc1cc(-c2nn[n-]n2)ccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001571286240 945942136 /nfs/dbraw/zinc/94/21/36/945942136.db2.gz BVVZHVSYYRQYTH-MEDUHNTESA-N -1 3 388.409 -0.114 20 30 GBEDHM COc1cc(-c2nnn[n-]2)ccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001571286240 945942123 /nfs/dbraw/zinc/94/21/23/945942123.db2.gz BVVZHVSYYRQYTH-MEDUHNTESA-N -1 3 388.409 -0.114 20 30 GBEDHM 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GEHHQUBQKJBVTI-RYUDHWBXSA-N -1 3 391.457 -0.273 20 30 GBEDHM C#CCOCCC(=O)N[C@@H]1CCN(c2snc(C)c2-c2nnn[n-]2)C[C@H]1O ZINC001573286612 946815143 /nfs/dbraw/zinc/81/51/43/946815143.db2.gz GEHHQUBQKJBVTI-VXGBXAGGSA-N -1 3 391.457 -0.273 20 30 GBEDHM C#CCOCCC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573286850 946821360 /nfs/dbraw/zinc/82/13/60/946821360.db2.gz JFHCEZNVHKWCQG-GFCCVEGCSA-N -1 3 387.400 -0.808 20 30 GBEDHM C#CCOCCC(=O)N1CCO[C@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573286850 946821351 /nfs/dbraw/zinc/82/13/51/946821351.db2.gz JFHCEZNVHKWCQG-GFCCVEGCSA-N -1 3 387.400 -0.808 20 30 GBEDHM C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573286861 946821405 /nfs/dbraw/zinc/82/14/05/946821405.db2.gz JFHCEZNVHKWCQG-LBPRGKRZSA-N -1 3 387.400 -0.808 20 30 GBEDHM C#CCOCCC(=O)N1CCO[C@@H](CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573286861 946821395 /nfs/dbraw/zinc/82/13/95/946821395.db2.gz JFHCEZNVHKWCQG-LBPRGKRZSA-N -1 3 387.400 -0.808 20 30 GBEDHM C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573286876 946820462 /nfs/dbraw/zinc/82/04/62/946820462.db2.gz JNRXXYRSBWTYHM-KBPBESRZSA-N -1 3 385.428 -0.070 20 30 GBEDHM C#CCO[C@@H](C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573286876 946820457 /nfs/dbraw/zinc/82/04/57/946820457.db2.gz JNRXXYRSBWTYHM-KBPBESRZSA-N -1 3 385.428 -0.070 20 30 GBEDHM C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573286877 946820316 /nfs/dbraw/zinc/82/03/16/946820316.db2.gz JNRXXYRSBWTYHM-KGLIPLIRSA-N -1 3 385.428 -0.070 20 30 GBEDHM C#CCO[C@H](C)C(=O)NC[C@H]1COCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573286877 946820306 /nfs/dbraw/zinc/82/03/06/946820306.db2.gz JNRXXYRSBWTYHM-KGLIPLIRSA-N -1 3 385.428 -0.070 20 30 GBEDHM C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573286878 946820628 /nfs/dbraw/zinc/82/06/28/946820628.db2.gz JNRXXYRSBWTYHM-UONOGXRCSA-N -1 3 385.428 -0.070 20 30 GBEDHM C#CCO[C@@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573286878 946820621 /nfs/dbraw/zinc/82/06/21/946820621.db2.gz JNRXXYRSBWTYHM-UONOGXRCSA-N -1 3 385.428 -0.070 20 30 GBEDHM C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573286880 946820919 /nfs/dbraw/zinc/82/09/19/946820919.db2.gz JNRXXYRSBWTYHM-ZIAGYGMSSA-N -1 3 385.428 -0.070 20 30 GBEDHM C#CCO[C@H](C)C(=O)NC[C@@H]1COCCN1c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573286880 946820909 /nfs/dbraw/zinc/82/09/09/946820909.db2.gz JNRXXYRSBWTYHM-ZIAGYGMSSA-N -1 3 385.428 -0.070 20 30 GBEDHM C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H](O)C2)nc1 ZINC001573286929 946823117 /nfs/dbraw/zinc/82/31/17/946823117.db2.gz CSXVJWSWLYFMIN-CABCVRRESA-N -1 3 392.379 -0.814 20 30 GBEDHM C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H](O)C2)nc1 ZINC001573286929 946823113 /nfs/dbraw/zinc/82/31/13/946823113.db2.gz CSXVJWSWLYFMIN-CABCVRRESA-N -1 3 392.379 -0.814 20 30 GBEDHM C#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001573287186 946830314 /nfs/dbraw/zinc/83/03/14/946830314.db2.gz GRKMENUMRULKEW-CYBMUJFWSA-N -1 3 380.368 -0.908 20 30 GBEDHM C#Cc1ccc(C(=O)NC[C@@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001573287186 946830302 /nfs/dbraw/zinc/83/03/02/946830302.db2.gz GRKMENUMRULKEW-CYBMUJFWSA-N -1 3 380.368 -0.908 20 30 GBEDHM C#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cn1 ZINC001573287196 946830737 /nfs/dbraw/zinc/83/07/37/946830737.db2.gz GRKMENUMRULKEW-ZDUSSCGKSA-N -1 3 380.368 -0.908 20 30 GBEDHM C#Cc1ccc(C(=O)NC[C@H](O)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cn1 ZINC001573287196 946830727 /nfs/dbraw/zinc/83/07/27/946830727.db2.gz GRKMENUMRULKEW-ZDUSSCGKSA-N -1 3 380.368 -0.908 20 30 GBEDHM C#CCOc1ncccc1C(=O)N1CC(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573287301 946833243 /nfs/dbraw/zinc/83/32/43/946833243.db2.gz AVNFLYZDOXHDGR-UHFFFAOYSA-N -1 3 392.379 -0.144 20 30 GBEDHM C#CCOc1ncccc1C(=O)N1CC(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573287301 946833235 /nfs/dbraw/zinc/83/32/35/946833235.db2.gz AVNFLYZDOXHDGR-UHFFFAOYSA-N -1 3 392.379 -0.144 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nc1 ZINC001573287510 946837660 /nfs/dbraw/zinc/83/76/60/946837660.db2.gz JDKUHRUNYKTWAU-GFCCVEGCSA-N -1 3 380.368 -0.908 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nc1 ZINC001573287510 946837649 /nfs/dbraw/zinc/83/76/49/946837649.db2.gz JDKUHRUNYKTWAU-GFCCVEGCSA-N -1 3 380.368 -0.908 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nc1 ZINC001573287511 946838707 /nfs/dbraw/zinc/83/87/07/946838707.db2.gz JDKUHRUNYKTWAU-LBPRGKRZSA-N -1 3 380.368 -0.908 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nc1 ZINC001573287511 946838696 /nfs/dbraw/zinc/83/86/96/946838696.db2.gz JDKUHRUNYKTWAU-LBPRGKRZSA-N -1 3 380.368 -0.908 20 30 GBEDHM C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O ZINC001573287603 946844550 /nfs/dbraw/zinc/84/45/50/946844550.db2.gz OAPIMTLTGBPFFZ-CYZMBNFOSA-N -1 3 376.442 -0.372 20 30 GBEDHM C#CCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O ZINC001573287603 946844539 /nfs/dbraw/zinc/84/45/39/946844539.db2.gz OAPIMTLTGBPFFZ-CYZMBNFOSA-N -1 3 376.442 -0.372 20 30 GBEDHM C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1O ZINC001573287605 946842369 /nfs/dbraw/zinc/84/23/69/946842369.db2.gz OAPIMTLTGBPFFZ-RAIGVLPGSA-N -1 3 376.442 -0.372 20 30 GBEDHM C#CCO[C@H](C)C(=O)N[C@@H]1CN(Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1O ZINC001573287605 946842362 /nfs/dbraw/zinc/84/23/62/946842362.db2.gz OAPIMTLTGBPFFZ-RAIGVLPGSA-N -1 3 376.442 -0.372 20 30 GBEDHM C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)cn1 ZINC001573287807 946847519 /nfs/dbraw/zinc/84/75/19/946847519.db2.gz LDBGRZVLIOUMOY-HUUCEWRRSA-N -1 3 392.379 -0.814 20 30 GBEDHM C#Cc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)cn1 ZINC001573287807 946847511 /nfs/dbraw/zinc/84/75/11/946847511.db2.gz LDBGRZVLIOUMOY-HUUCEWRRSA-N -1 3 392.379 -0.814 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573288150 946859349 /nfs/dbraw/zinc/85/93/49/946859349.db2.gz PDGBYAMMELXVPJ-GFCCVEGCSA-N -1 3 380.368 -0.908 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573288150 946859339 /nfs/dbraw/zinc/85/93/39/946859339.db2.gz PDGBYAMMELXVPJ-GFCCVEGCSA-N -1 3 380.368 -0.908 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc1 ZINC001573288151 946858137 /nfs/dbraw/zinc/85/81/37/946858137.db2.gz PDGBYAMMELXVPJ-LBPRGKRZSA-N -1 3 380.368 -0.908 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@H](CO)CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc1 ZINC001573288151 946858124 /nfs/dbraw/zinc/85/81/24/946858124.db2.gz PDGBYAMMELXVPJ-LBPRGKRZSA-N -1 3 380.368 -0.908 20 30 GBEDHM C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)[C@@H](O)C2)nc1 ZINC001573288568 946869848 /nfs/dbraw/zinc/86/98/48/946869848.db2.gz RTCQDEUNCMYRMB-CABCVRRESA-N -1 3 392.379 -0.814 20 30 GBEDHM C#Cc1ccc(C(=O)N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)[C@@H](O)C2)nc1 ZINC001573288568 946869840 /nfs/dbraw/zinc/86/98/40/946869840.db2.gz RTCQDEUNCMYRMB-CABCVRRESA-N -1 3 392.379 -0.814 20 30 GBEDHM C#CCOCCC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[n-]n4)[nH]3)[C@@H]2C1 ZINC001573288569 946869738 /nfs/dbraw/zinc/86/97/38/946869738.db2.gz WAMXJCATNRLTMC-IUODEOHRSA-N -1 3 383.412 -0.092 20 30 GBEDHM C#CCOCCC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(-c4nnn[n-]4)[nH]3)[C@@H]2C1 ZINC001573288569 946869732 /nfs/dbraw/zinc/86/97/32/946869732.db2.gz WAMXJCATNRLTMC-IUODEOHRSA-N -1 3 383.412 -0.092 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@@H]2O)cn1 ZINC001573290214 946900512 /nfs/dbraw/zinc/90/05/12/946900512.db2.gz GVXTWDDOMQHPLA-CABCVRRESA-N -1 3 394.370 -0.243 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@@H]2O)cn1 ZINC001573290214 946900506 /nfs/dbraw/zinc/90/05/06/946900506.db2.gz GVXTWDDOMQHPLA-CABCVRRESA-N -1 3 394.370 -0.243 20 30 GBEDHM C#CCOCCC(=O)NCC1(O)CN(Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC001573290296 946902599 /nfs/dbraw/zinc/90/25/99/946902599.db2.gz VJQFSWLKMMWANZ-UHFFFAOYSA-N -1 3 388.403 -0.291 20 30 GBEDHM C#CCOCCC(=O)NCC1(O)CN(Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC001573290296 946902591 /nfs/dbraw/zinc/90/25/91/946902591.db2.gz VJQFSWLKMMWANZ-UHFFFAOYSA-N -1 3 388.403 -0.291 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(c3snc(C)c3-c3nnn[n-]3)C[C@@H]2O)nc1 ZINC001573290692 946909938 /nfs/dbraw/zinc/90/99/38/946909938.db2.gz OEDOCOQGYIHILN-OLZOCXBDSA-N -1 3 396.436 -0.013 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncc(-c4nn[n-]n4)cc3F)C[C@H]2O)nc1 ZINC001573290993 946912131 /nfs/dbraw/zinc/91/21/31/946912131.db2.gz URNQWYMIABXXIW-HUUCEWRRSA-N -1 3 394.370 -0.243 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncc(-c4nnn[n-]4)cc3F)C[C@H]2O)nc1 ZINC001573290993 946912127 /nfs/dbraw/zinc/91/21/27/946912127.db2.gz URNQWYMIABXXIW-HUUCEWRRSA-N -1 3 394.370 -0.243 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nn[n-]n3)C[C@H]2O)nc1 ZINC001573291175 946914287 /nfs/dbraw/zinc/91/42/87/946914287.db2.gz YCDXYEDLIFYWTF-HUUCEWRRSA-N -1 3 376.380 -0.383 20 30 GBEDHM C#Cc1ccc(C(=O)N[C@@H]2CN(c3ncccc3-c3nnn[n-]3)C[C@H]2O)nc1 ZINC001573291175 946914278 /nfs/dbraw/zinc/91/42/78/946914278.db2.gz YCDXYEDLIFYWTF-HUUCEWRRSA-N -1 3 376.380 -0.383 20 30 GBEDHM C=C(Br)CN1CC(O)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573291807 946924683 /nfs/dbraw/zinc/92/46/83/946924683.db2.gz JDBULXOKMCXVMH-UHFFFAOYSA-N -1 3 382.222 -0.120 20 30 GBEDHM C=C(Br)CN1CC(O)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573291807 946924674 /nfs/dbraw/zinc/92/46/74/946924674.db2.gz JDBULXOKMCXVMH-UHFFFAOYSA-N -1 3 382.222 -0.120 20 30 GBEDHM C#Cc1cncc(C(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@H]2O)c1 ZINC001573291838 946924715 /nfs/dbraw/zinc/92/47/15/946924715.db2.gz KDXPDIKAORMIDP-CABCVRRESA-N -1 3 376.380 -0.383 20 30 GBEDHM C#Cc1cncc(C(=O)N[C@@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@H]2O)c1 ZINC001573291838 946924702 /nfs/dbraw/zinc/92/47/02/946924702.db2.gz KDXPDIKAORMIDP-CABCVRRESA-N -1 3 376.380 -0.383 20 30 GBEDHM C=C(Br)CN1CC(O)(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573291863 946924877 /nfs/dbraw/zinc/92/48/77/946924877.db2.gz KWXFHUJAWSEMNE-UHFFFAOYSA-N -1 3 382.222 -0.120 20 30 GBEDHM C=C(Br)CN1CC(O)(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573291863 946924869 /nfs/dbraw/zinc/92/48/69/946924869.db2.gz KWXFHUJAWSEMNE-UHFFFAOYSA-N -1 3 382.222 -0.120 20 30 GBEDHM C=C(Br)CN1C[C@@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](O)C1 ZINC001573291981 946926478 /nfs/dbraw/zinc/92/64/78/946926478.db2.gz MKBDZIPAQPPSBN-MNOVXSKESA-N -1 3 382.222 -0.122 20 30 GBEDHM C=C(Br)CN1C[C@@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](O)C1 ZINC001573291981 946926468 /nfs/dbraw/zinc/92/64/68/946926468.db2.gz MKBDZIPAQPPSBN-MNOVXSKESA-N -1 3 382.222 -0.122 20 30 GBEDHM C=C(Br)CN1CC(O)(CNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573291992 946926543 /nfs/dbraw/zinc/92/65/43/946926543.db2.gz MMNKJWFPWPCKBZ-UHFFFAOYSA-N -1 3 382.222 -0.120 20 30 GBEDHM C=C(Br)CN1CC(O)(CNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573291992 946926532 /nfs/dbraw/zinc/92/65/32/946926532.db2.gz MMNKJWFPWPCKBZ-UHFFFAOYSA-N -1 3 382.222 -0.120 20 30 GBEDHM C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573292152 946929008 /nfs/dbraw/zinc/92/90/08/946929008.db2.gz PDSQYAFIWILHAF-GHMZBOCLSA-N -1 3 382.222 -0.122 20 30 GBEDHM C=C(Br)CN1C[C@@H](O)[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573292152 946929000 /nfs/dbraw/zinc/92/90/00/946929000.db2.gz PDSQYAFIWILHAF-GHMZBOCLSA-N -1 3 382.222 -0.122 20 30 GBEDHM C#Cc1cncc(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nn[n-]n4)c3)C2)c1 ZINC001573292397 946933980 /nfs/dbraw/zinc/93/39/80/946933980.db2.gz VGLOOUMXIZUFJU-UHFFFAOYSA-N -1 3 392.379 -0.812 20 30 GBEDHM C#Cc1cncc(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(-c4nnn[n-]4)c3)C2)c1 ZINC001573292397 946933970 /nfs/dbraw/zinc/93/39/70/946933970.db2.gz VGLOOUMXIZUFJU-UHFFFAOYSA-N -1 3 392.379 -0.812 20 30 GBEDHM C=C(Br)CN1C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)[C@@H](O)C1 ZINC001573292578 946935814 /nfs/dbraw/zinc/93/58/14/946935814.db2.gz YDEDEXNQETWALK-MNOVXSKESA-N -1 3 382.222 -0.122 20 30 GBEDHM C=C(Br)CN1C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)[C@@H](O)C1 ZINC001573292578 946935805 /nfs/dbraw/zinc/93/58/05/946935805.db2.gz YDEDEXNQETWALK-MNOVXSKESA-N -1 3 382.222 -0.122 20 30 GBEDHM C=C(C)CN1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001573293754 946967079 /nfs/dbraw/zinc/96/70/79/946967079.db2.gz INAITZLYUSOZMP-UONOGXRCSA-N -1 3 391.457 -0.306 20 30 GBEDHM C=C(C)CN1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001573293754 946967071 /nfs/dbraw/zinc/96/70/71/946967071.db2.gz INAITZLYUSOZMP-UONOGXRCSA-N -1 3 391.457 -0.306 20 30 GBEDHM C=C(Cl)CN1CC(N2C[C@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2=O)C1 ZINC001573294929 947002781 /nfs/dbraw/zinc/00/27/81/947002781.db2.gz JURJPKJBFPSXSP-LLVKDONJSA-N -1 3 390.835 -0.038 20 30 GBEDHM C=C(Cl)CN1CC(N2C[C@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2=O)C1 ZINC001573294929 947002770 /nfs/dbraw/zinc/00/27/70/947002770.db2.gz JURJPKJBFPSXSP-LLVKDONJSA-N -1 3 390.835 -0.038 20 30 GBEDHM C=C(Cl)CN1CC(N2C[C@@H](NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)CC2=O)C1 ZINC001573294930 947002265 /nfs/dbraw/zinc/00/22/65/947002265.db2.gz JURJPKJBFPSXSP-NSHDSACASA-N -1 3 390.835 -0.038 20 30 GBEDHM C=C(Cl)CN1CC(N2C[C@@H](NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)CC2=O)C1 ZINC001573294930 947002254 /nfs/dbraw/zinc/00/22/54/947002254.db2.gz JURJPKJBFPSXSP-NSHDSACASA-N -1 3 390.835 -0.038 20 30 GBEDHM C=C(Cl)CN1CC(N2C[C@@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2=O)C1 ZINC001573295548 947023755 /nfs/dbraw/zinc/02/37/55/947023755.db2.gz RETJTYDXBRKOPM-JTQLQIEISA-N -1 3 390.835 -0.038 20 30 GBEDHM C=C(Cl)CN1CC(N2C[C@@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2=O)C1 ZINC001573295548 947023746 /nfs/dbraw/zinc/02/37/46/947023746.db2.gz RETJTYDXBRKOPM-JTQLQIEISA-N -1 3 390.835 -0.038 20 30 GBEDHM C=C(Cl)CN1CC(N2C[C@H](NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)CC2=O)C1 ZINC001573295552 947022384 /nfs/dbraw/zinc/02/23/84/947022384.db2.gz RETJTYDXBRKOPM-SNVBAGLBSA-N -1 3 390.835 -0.038 20 30 GBEDHM C=C(Cl)CN1CC(N2C[C@H](NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)CC2=O)C1 ZINC001573295552 947022372 /nfs/dbraw/zinc/02/23/72/947022372.db2.gz RETJTYDXBRKOPM-SNVBAGLBSA-N -1 3 390.835 -0.038 20 30 GBEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573295767 947029729 /nfs/dbraw/zinc/02/97/29/947029729.db2.gz UICMPBWJMQABKR-DYEKYZERSA-N -1 3 389.416 -0.617 20 30 GBEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573295767 947029714 /nfs/dbraw/zinc/02/97/14/947029714.db2.gz UICMPBWJMQABKR-DYEKYZERSA-N -1 3 389.416 -0.617 20 30 GBEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573295775 947028653 /nfs/dbraw/zinc/02/86/53/947028653.db2.gz UICMPBWJMQABKR-OBJOEFQTSA-N -1 3 389.416 -0.617 20 30 GBEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](O)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573295775 947028644 /nfs/dbraw/zinc/02/86/44/947028644.db2.gz UICMPBWJMQABKR-OBJOEFQTSA-N -1 3 389.416 -0.617 20 30 GBEDHM C=C(C)C[C@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573299066 947087908 /nfs/dbraw/zinc/08/79/08/947087908.db2.gz HQJPBMFSHJUEID-AWEZNQCLSA-N -1 3 388.432 -0.146 20 30 GBEDHM C=C(C)C[C@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573299066 947087898 /nfs/dbraw/zinc/08/78/98/947087898.db2.gz HQJPBMFSHJUEID-AWEZNQCLSA-N -1 3 388.432 -0.146 20 30 GBEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573299069 947087854 /nfs/dbraw/zinc/08/78/54/947087854.db2.gz HQJPBMFSHJUEID-CQSZACIVSA-N -1 3 388.432 -0.146 20 30 GBEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN(C)C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573299069 947087845 /nfs/dbraw/zinc/08/78/45/947087845.db2.gz HQJPBMFSHJUEID-CQSZACIVSA-N -1 3 388.432 -0.146 20 30 GBEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573299855 947101488 /nfs/dbraw/zinc/10/14/88/947101488.db2.gz MCMVOCYYMBBPAC-QMTHXVAHSA-N -1 3 388.432 -0.100 20 30 GBEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573299855 947101480 /nfs/dbraw/zinc/10/14/80/947101480.db2.gz MCMVOCYYMBBPAC-QMTHXVAHSA-N -1 3 388.432 -0.100 20 30 GBEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573299857 947102126 /nfs/dbraw/zinc/10/21/26/947102126.db2.gz MCMVOCYYMBBPAC-YGRLFVJLSA-N -1 3 388.432 -0.100 20 30 GBEDHM C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](C)CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573299857 947102120 /nfs/dbraw/zinc/10/21/20/947102120.db2.gz MCMVOCYYMBBPAC-YGRLFVJLSA-N -1 3 388.432 -0.100 20 30 GBEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573300922 947124048 /nfs/dbraw/zinc/12/40/48/947124048.db2.gz WLCDTJVWYPLWDG-DZGCQCFKSA-N -1 3 388.432 -0.378 20 30 GBEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573300922 947124043 /nfs/dbraw/zinc/12/40/43/947124043.db2.gz WLCDTJVWYPLWDG-DZGCQCFKSA-N -1 3 388.432 -0.378 20 30 GBEDHM C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573300926 947124251 /nfs/dbraw/zinc/12/42/51/947124251.db2.gz WLCDTJVWYPLWDG-HIFRSBDPSA-N -1 3 388.432 -0.378 20 30 GBEDHM C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573300926 947124245 /nfs/dbraw/zinc/12/42/45/947124245.db2.gz WLCDTJVWYPLWDG-HIFRSBDPSA-N -1 3 388.432 -0.378 20 30 GBEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573300928 947123347 /nfs/dbraw/zinc/12/33/47/947123347.db2.gz WLCDTJVWYPLWDG-UKRRQHHQSA-N -1 3 388.432 -0.378 20 30 GBEDHM C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573300928 947123341 /nfs/dbraw/zinc/12/33/41/947123341.db2.gz WLCDTJVWYPLWDG-UKRRQHHQSA-N -1 3 388.432 -0.378 20 30 GBEDHM C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ccc(-c2nn[n-]n2)nc1 ZINC001573300930 947124006 /nfs/dbraw/zinc/12/40/06/947124006.db2.gz WLCDTJVWYPLWDG-ZFWWWQNUSA-N -1 3 388.432 -0.378 20 30 GBEDHM C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](O)CNc1ccc(-c2nnn[n-]2)nc1 ZINC001573300930 947123999 /nfs/dbraw/zinc/12/39/99/947123999.db2.gz WLCDTJVWYPLWDG-ZFWWWQNUSA-N -1 3 388.432 -0.378 20 30 GBEDHM C=C[C@](C)(O)CC(=O)NCCN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573309247 947194409 /nfs/dbraw/zinc/19/44/09/947194409.db2.gz FVAURELHMZYREF-KRWDZBQOSA-N -1 3 387.448 -0.778 20 30 GBEDHM C=C[C@@](C)(O)CC(=O)NCCN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573309248 947194519 /nfs/dbraw/zinc/19/45/19/947194519.db2.gz FVAURELHMZYREF-QGZVFWFLSA-N -1 3 387.448 -0.778 20 30 GBEDHM C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573309583 947203583 /nfs/dbraw/zinc/20/35/83/947203583.db2.gz LDRZKSJHNDLDBW-CXAGYDPISA-N -1 3 375.433 -0.156 20 30 GBEDHM C=C[C@@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573309583 947203574 /nfs/dbraw/zinc/20/35/74/947203574.db2.gz LDRZKSJHNDLDBW-CXAGYDPISA-N -1 3 375.433 -0.156 20 30 GBEDHM C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573309584 947204137 /nfs/dbraw/zinc/20/41/37/947204137.db2.gz LDRZKSJHNDLDBW-DYVFJYSZSA-N -1 3 375.433 -0.156 20 30 GBEDHM C=C[C@](C)(O)CC(=O)N(C)C[C@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573309584 947204130 /nfs/dbraw/zinc/20/41/30/947204130.db2.gz LDRZKSJHNDLDBW-DYVFJYSZSA-N -1 3 375.433 -0.156 20 30 GBEDHM C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573309585 947202247 /nfs/dbraw/zinc/20/22/47/947202247.db2.gz LDRZKSJHNDLDBW-GUYCJALGSA-N -1 3 375.433 -0.156 20 30 GBEDHM C=C[C@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573309585 947202236 /nfs/dbraw/zinc/20/22/36/947202236.db2.gz LDRZKSJHNDLDBW-GUYCJALGSA-N -1 3 375.433 -0.156 20 30 GBEDHM C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nn[n-]n2)nc1 ZINC001573309586 947203999 /nfs/dbraw/zinc/20/39/99/947203999.db2.gz LDRZKSJHNDLDBW-SUMWQHHRSA-N -1 3 375.433 -0.156 20 30 GBEDHM C=C[C@@](C)(O)CC(=O)N(C)C[C@@H](O)CN(C)c1ccc(-c2nnn[n-]2)nc1 ZINC001573309586 947203994 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BINGANVYKFSTBA-UHFFFAOYSA-N -1 3 382.388 -0.431 20 30 GBEDHM C=CCOCCCC(=O)NCC1(O)CN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573347332 947571614 /nfs/dbraw/zinc/57/16/14/947571614.db2.gz CDWUBUFPKOGPIN-UHFFFAOYSA-N -1 3 389.416 -0.519 20 30 GBEDHM C=CCOCCCC(=O)NCC1(O)CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573347332 947571602 /nfs/dbraw/zinc/57/16/02/947571602.db2.gz CDWUBUFPKOGPIN-UHFFFAOYSA-N -1 3 389.416 -0.519 20 30 GBEDHM C=CCn1cc(C(=O)N(C)C[C@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001573348043 947579252 /nfs/dbraw/zinc/57/92/52/947579252.db2.gz LTKJMKVOMYWCHS-JTQLQIEISA-N -1 3 384.404 -0.137 20 30 GBEDHM C=CCn1cc(C(=O)N(C)C[C@H](C)NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nn1 ZINC001573348043 947579248 /nfs/dbraw/zinc/57/92/48/947579248.db2.gz LTKJMKVOMYWCHS-JTQLQIEISA-N -1 3 384.404 -0.137 20 30 GBEDHM C=CCn1cc(C(=O)N(C)C[C@@H](C)NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nn1 ZINC001573348044 947579081 /nfs/dbraw/zinc/57/90/81/947579081.db2.gz LTKJMKVOMYWCHS-SNVBAGLBSA-N -1 3 384.404 -0.137 20 30 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