smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCC#N)S(=O)(=O)NC1C(C)(C)C(NS(=O)(=O)N(C)CCC#N)C1(C)C ZINC000079060941 522674396 /nfs/dbraw/zinc/67/43/96/522674396.db2.gz DSCUOAZUHXVQLH-UHFFFAOYSA-N 0 0 434.588 0.149 20 30 ICEDRN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001164679643 719586036 /nfs/dbraw/zinc/58/60/36/719586036.db2.gz BHOXMPSNCDYLSV-HNNXBMFYSA-N 0 0 448.487 0.854 20 30 ICEDRN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001164679649 719586019 /nfs/dbraw/zinc/58/60/19/719586019.db2.gz BHOXMPSNCDYLSV-OAHLLOKOSA-N 0 0 448.487 0.854 20 30 ICEDRN CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001164679892 719589200 /nfs/dbraw/zinc/58/92/00/719589200.db2.gz JITBYEGVXWIDRV-HNNXBMFYSA-N 0 0 440.508 0.869 20 30 ICEDRN CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCn2c(CN3CCOCC3)nnc2C1 ZINC001164679893 719588896 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C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccnc2)n1CCNC(=O)C1N=CC=CC1=O ZINC001493179674 1070105237 /nfs/dbraw/zinc/10/52/37/1070105237.db2.gz MEGNFJIYZAYPKC-UFOSLELVSA-N 0 0 436.476 0.533 20 30 ICEDRN C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCCO ZINC001493191886 1070108545 /nfs/dbraw/zinc/10/85/45/1070108545.db2.gz IJMMPOWEGLKACT-INIZCTEOSA-N 0 0 428.493 0.795 20 30 ICEDRN C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCCO ZINC001493191893 1070108698 /nfs/dbraw/zinc/10/86/98/1070108698.db2.gz IJMMPOWEGLKACT-MRXNPFEDSA-N 0 0 428.493 0.795 20 30 ICEDRN C[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 ZINC001493587276 1070114573 /nfs/dbraw/zinc/11/45/73/1070114573.db2.gz DBKBFXIRKAEUSP-NCOADZHNSA-N 0 0 438.554 0.776 20 30 ICEDRN C[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 ZINC001493587277 1070114333 /nfs/dbraw/zinc/11/43/33/1070114333.db2.gz DBKBFXIRKAEUSP-QBPKDAKJSA-N 0 0 438.554 0.776 20 30 ICEDRN C[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 ZINC001493587278 1070114677 /nfs/dbraw/zinc/11/46/77/1070114677.db2.gz DBKBFXIRKAEUSP-VQHPVUNQSA-N 0 0 438.554 0.776 20 30 ICEDRN C[C@@H]1CCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 ZINC001493587279 1070114523 /nfs/dbraw/zinc/11/45/23/1070114523.db2.gz DBKBFXIRKAEUSP-WCXIOVBPSA-N 0 0 438.554 0.776 20 30 ICEDRN C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001493959931 1070119747 /nfs/dbraw/zinc/11/97/47/1070119747.db2.gz JEQVMNYSJDBAQF-BCHHYXHLSA-N 0 0 434.522 0.553 20 30 ICEDRN C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001493959937 1070119875 /nfs/dbraw/zinc/11/98/75/1070119875.db2.gz JEQVMNYSJDBAQF-KRGDBVFUSA-N 0 0 434.522 0.553 20 30 ICEDRN C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001493959941 1070119760 /nfs/dbraw/zinc/11/97/60/1070119760.db2.gz JEQVMNYSJDBAQF-OFXSGMSSSA-N 0 0 434.522 0.553 20 30 ICEDRN C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001493959945 1070119657 /nfs/dbraw/zinc/11/96/57/1070119657.db2.gz JEQVMNYSJDBAQF-QJGXAYKQSA-N 0 0 434.522 0.553 20 30 ICEDRN C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O ZINC001494105941 1070125086 /nfs/dbraw/zinc/12/50/86/1070125086.db2.gz FNVLMVDNDSNOMS-HNNXBMFYSA-N 0 0 446.533 0.545 20 30 ICEDRN C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O ZINC001494105953 1070124992 /nfs/dbraw/zinc/12/49/92/1070124992.db2.gz FNVLMVDNDSNOMS-OAHLLOKOSA-N 0 0 446.533 0.545 20 30 ICEDRN C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F ZINC001494127801 1070129174 /nfs/dbraw/zinc/12/91/74/1070129174.db2.gz HOGMLLNUNBCTQO-CYBMUJFWSA-N 0 0 447.446 0.777 20 30 ICEDRN C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F ZINC001494127802 1070129230 /nfs/dbraw/zinc/12/92/30/1070129230.db2.gz HOGMLLNUNBCTQO-ZDUSSCGKSA-N 0 0 447.446 0.777 20 30 ICEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CC(=O)N(C)C ZINC001494135601 1070130078 /nfs/dbraw/zinc/13/00/78/1070130078.db2.gz FYFSOWIYUFDKKT-CABCVRRESA-N 0 0 425.497 0.247 20 30 ICEDRN C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCOC2)n1CC(=O)N(C)C ZINC001494135602 1070130155 /nfs/dbraw/zinc/13/01/55/1070130155.db2.gz FYFSOWIYUFDKKT-GJZGRUSLSA-N 0 0 425.497 0.247 20 30 ICEDRN C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CC(=O)N(C)C ZINC001494135603 1070130237 /nfs/dbraw/zinc/13/02/37/1070130237.db2.gz FYFSOWIYUFDKKT-HUUCEWRRSA-N 0 0 425.497 0.247 20 30 ICEDRN C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2CCOC2)n1CC(=O)N(C)C ZINC001494135604 1070130247 /nfs/dbraw/zinc/13/02/47/1070130247.db2.gz FYFSOWIYUFDKKT-LSDHHAIUSA-N 0 0 425.497 0.247 20 30 ICEDRN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC001494143567 1070131779 /nfs/dbraw/zinc/13/17/79/1070131779.db2.gz ZPLOSJQGLNXLTE-DCOQFNDQSA-N 0 0 429.481 0.266 20 30 ICEDRN C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC001494143570 1070131792 /nfs/dbraw/zinc/13/17/92/1070131792.db2.gz ZPLOSJQGLNXLTE-HFUDNHEJSA-N 0 0 429.481 0.266 20 30 ICEDRN C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC001494143572 1070131600 /nfs/dbraw/zinc/13/16/00/1070131600.db2.gz ZPLOSJQGLNXLTE-OHTQGHCMSA-N 0 0 429.481 0.266 20 30 ICEDRN C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC001494143574 1070131769 /nfs/dbraw/zinc/13/17/69/1070131769.db2.gz ZPLOSJQGLNXLTE-ZFDMEJTGSA-N 0 0 429.481 0.266 20 30 ICEDRN C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H](C)O1 ZINC001494235829 1070138802 /nfs/dbraw/zinc/13/88/02/1070138802.db2.gz KKQBKOXNTJZPJH-MDOVXXIYSA-N 0 0 431.518 0.980 20 30 ICEDRN C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H](C)O1 ZINC001494235830 1070138772 /nfs/dbraw/zinc/13/87/72/1070138772.db2.gz KKQBKOXNTJZPJH-QEEYODRMSA-N 0 0 431.518 0.980 20 30 ICEDRN C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC001494235831 1070138704 /nfs/dbraw/zinc/13/87/04/1070138704.db2.gz KKQBKOXNTJZPJH-STXHMFSFSA-N 0 0 431.518 0.980 20 30 ICEDRN C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H](C)O1 ZINC001494235832 1070138590 /nfs/dbraw/zinc/13/85/90/1070138590.db2.gz KKQBKOXNTJZPJH-SXGZJXTBSA-N 0 0 431.518 0.980 20 30 ICEDRN C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccn[nH]2)CC(=O)N1C ZINC001494236690 1070138755 /nfs/dbraw/zinc/13/87/55/1070138755.db2.gz SIGIJICSECSZEO-AWEZNQCLSA-N 0 0 433.476 0.637 20 30 ICEDRN C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2ccn[nH]2)CC(=O)N1C ZINC001494236702 1070138608 /nfs/dbraw/zinc/13/86/08/1070138608.db2.gz SIGIJICSECSZEO-CQSZACIVSA-N 0 0 433.476 0.637 20 30 ICEDRN C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCCO1 ZINC001494252632 1070139767 /nfs/dbraw/zinc/13/97/67/1070139767.db2.gz JXCUQYPORHOPHZ-FOIQADDNSA-N 0 0 431.518 0.982 20 30 ICEDRN C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CCCO1 ZINC001494252633 1070139599 /nfs/dbraw/zinc/13/95/99/1070139599.db2.gz JXCUQYPORHOPHZ-MGPUTAFESA-N 0 0 431.518 0.982 20 30 ICEDRN C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCCO1 ZINC001494252634 1070139633 /nfs/dbraw/zinc/13/96/33/1070139633.db2.gz JXCUQYPORHOPHZ-QRWLVFNGSA-N 0 0 431.518 0.982 20 30 ICEDRN C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CCCO1 ZINC001494252635 1070139728 /nfs/dbraw/zinc/13/97/28/1070139728.db2.gz JXCUQYPORHOPHZ-YWZLYKJASA-N 0 0 431.518 0.982 20 30 ICEDRN C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 ZINC001494255142 1070139552 /nfs/dbraw/zinc/13/95/52/1070139552.db2.gz ZZCZIGJEQLLNIO-HNNXBMFYSA-N 0 0 431.518 0.982 20 30 ICEDRN C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)CCO1 ZINC001494255144 1070139688 /nfs/dbraw/zinc/13/96/88/1070139688.db2.gz ZZCZIGJEQLLNIO-OAHLLOKOSA-N 0 0 431.518 0.982 20 30 ICEDRN C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C2N=CC=CC2=O)CC(C)(C)O1 ZINC001494321355 1070144643 /nfs/dbraw/zinc/14/46/43/1070144643.db2.gz MYCBLJDEUJMGSN-BAEHRGANSA-N 0 0 443.508 0.759 20 30 ICEDRN C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C2N=CC=CC2=O)CC(C)(C)O1 ZINC001494321356 1070144599 /nfs/dbraw/zinc/14/45/99/1070144599.db2.gz MYCBLJDEUJMGSN-MQINBFPNSA-N 0 0 443.508 0.759 20 30 ICEDRN C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C2N=CC=CC2=O)CC(C)(C)O1 ZINC001494321357 1070144689 /nfs/dbraw/zinc/14/46/89/1070144689.db2.gz MYCBLJDEUJMGSN-OFGXNVERSA-N 0 0 443.508 0.759 20 30 ICEDRN C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C2N=CC=CC2=O)CC(C)(C)O1 ZINC001494321358 1070144662 /nfs/dbraw/zinc/14/46/62/1070144662.db2.gz MYCBLJDEUJMGSN-ORQRPPJRSA-N 0 0 443.508 0.759 20 30 ICEDRN C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H](C)O1 ZINC001494478030 1070158373 /nfs/dbraw/zinc/15/83/73/1070158373.db2.gz INTIVIGHLVFVOC-GASCZTMLSA-N 0 0 434.522 0.892 20 30 ICEDRN C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H](C)O1 ZINC001494478031 1070158611 /nfs/dbraw/zinc/15/86/11/1070158611.db2.gz INTIVIGHLVFVOC-GJZGRUSLSA-N 0 0 434.522 0.892 20 30 ICEDRN C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H](C)O1 ZINC001494478032 1070158643 /nfs/dbraw/zinc/15/86/43/1070158643.db2.gz INTIVIGHLVFVOC-HUUCEWRRSA-N 0 0 434.522 0.892 20 30 ICEDRN C[C@@H]1COCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 ZINC001494595751 1070167207 /nfs/dbraw/zinc/16/72/07/1070167207.db2.gz ZGTBLKRIEFYNMM-CVEARBPZSA-N 0 0 426.481 0.375 20 30 ICEDRN C[C@H]1COCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 ZINC001494595759 1070167423 /nfs/dbraw/zinc/16/74/23/1070167423.db2.gz ZGTBLKRIEFYNMM-HOTGVXAUSA-N 0 0 426.481 0.375 20 30 ICEDRN C[C@@H]1COCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 ZINC001494595761 1070167462 /nfs/dbraw/zinc/16/74/62/1070167462.db2.gz ZGTBLKRIEFYNMM-HZPDHXFCSA-N 0 0 426.481 0.375 20 30 ICEDRN C[C@H]1COCCN1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 ZINC001494595763 1070167217 /nfs/dbraw/zinc/16/72/17/1070167217.db2.gz ZGTBLKRIEFYNMM-JKSUJKDBSA-N 0 0 426.481 0.375 20 30 ICEDRN C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001494600872 1070167472 /nfs/dbraw/zinc/16/74/72/1070167472.db2.gz AORJZVSRSALRPN-AEFFLSMTSA-N 0 0 439.520 0.761 20 30 ICEDRN C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001494600881 1070167402 /nfs/dbraw/zinc/16/74/02/1070167402.db2.gz AORJZVSRSALRPN-FUHWJXTLSA-N 0 0 439.520 0.761 20 30 ICEDRN C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001494600883 1070167226 /nfs/dbraw/zinc/16/72/26/1070167226.db2.gz AORJZVSRSALRPN-SJLPKXTDSA-N 0 0 439.520 0.761 20 30 ICEDRN C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001494600886 1070167325 /nfs/dbraw/zinc/16/73/25/1070167325.db2.gz AORJZVSRSALRPN-WMZOPIPTSA-N 0 0 439.520 0.761 20 30 ICEDRN C[C@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 ZINC001494602381 1070169230 /nfs/dbraw/zinc/16/92/30/1070169230.db2.gz MZMXYZJFGBXMFC-INIZCTEOSA-N 0 0 425.493 0.386 20 30 ICEDRN C[C@@H]1COCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 ZINC001494602382 1070169136 /nfs/dbraw/zinc/16/91/36/1070169136.db2.gz MZMXYZJFGBXMFC-MRXNPFEDSA-N 0 0 425.493 0.386 20 30 ICEDRN C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O ZINC001494657267 1070173157 /nfs/dbraw/zinc/17/31/57/1070173157.db2.gz BGYVUZIIVGMHDL-FOIQADDNSA-N 0 0 449.533 0.749 20 30 ICEDRN C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O ZINC001494657271 1070173031 /nfs/dbraw/zinc/17/30/31/1070173031.db2.gz BGYVUZIIVGMHDL-MGPUTAFESA-N 0 0 449.533 0.749 20 30 ICEDRN C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O ZINC001494657273 1070173173 /nfs/dbraw/zinc/17/31/73/1070173173.db2.gz BGYVUZIIVGMHDL-QRWLVFNGSA-N 0 0 449.533 0.749 20 30 ICEDRN C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O ZINC001494657275 1070173103 /nfs/dbraw/zinc/17/31/03/1070173103.db2.gz BGYVUZIIVGMHDL-YWZLYKJASA-N 0 0 449.533 0.749 20 30 ICEDRN 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1070265265 /nfs/dbraw/zinc/26/52/65/1070265265.db2.gz SBAQWRWHRRSZHF-UHFFFAOYSA-N 0 0 434.526 0.453 20 30 ICEDRN CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCS(=O)(=O)N(C)C ZINC001499154949 1070264973 /nfs/dbraw/zinc/26/49/73/1070264973.db2.gz UCGRFDXLSFZXOO-UHFFFAOYSA-N 0 0 448.553 0.796 20 30 ICEDRN CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)NC(C)C ZINC001499162916 1070266023 /nfs/dbraw/zinc/26/60/23/1070266023.db2.gz YMHUCZICBGWJEJ-UHFFFAOYSA-N 0 0 432.554 0.762 20 30 ICEDRN CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCOC[C@H]1C ZINC001499164938 1070265745 /nfs/dbraw/zinc/26/57/45/1070265745.db2.gz RMCBSSZBNWOBCH-DLBZAZTESA-N 0 0 425.541 0.938 20 30 ICEDRN CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCOC[C@H]1C ZINC001499164939 1070265934 /nfs/dbraw/zinc/26/59/34/1070265934.db2.gz RMCBSSZBNWOBCH-IAGOWNOFSA-N 0 0 425.541 0.938 20 30 ICEDRN CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCOC[C@@H]1C ZINC001499164940 1070265861 /nfs/dbraw/zinc/26/58/61/1070265861.db2.gz RMCBSSZBNWOBCH-IRXDYDNUSA-N 0 0 425.541 0.938 20 30 ICEDRN CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCOC[C@@H]1C ZINC001499165041 1070265694 /nfs/dbraw/zinc/26/56/94/1070265694.db2.gz RMCBSSZBNWOBCH-SJORKVTESA-N 0 0 425.541 0.938 20 30 ICEDRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 ZINC001499300059 1070275539 /nfs/dbraw/zinc/27/55/39/1070275539.db2.gz KOTWDCLVIHTEMJ-GOSISDBHSA-N 0 0 435.492 0.706 20 30 ICEDRN CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 ZINC001499300064 1070275792 /nfs/dbraw/zinc/27/57/92/1070275792.db2.gz KOTWDCLVIHTEMJ-SFHVURJKSA-N 0 0 435.492 0.706 20 30 ICEDRN CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O ZINC001499300848 1070275707 /nfs/dbraw/zinc/27/57/07/1070275707.db2.gz GOCAAHINVVWVGD-KRWDZBQOSA-N 0 0 446.533 0.593 20 30 ICEDRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O ZINC001499300851 1070275755 /nfs/dbraw/zinc/27/57/55/1070275755.db2.gz GOCAAHINVVWVGD-QGZVFWFLSA-N 0 0 446.533 0.593 20 30 ICEDRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccn2C)n1CCNC(=O)C1N=CC=CC1=O ZINC001499306924 1070276245 /nfs/dbraw/zinc/27/62/45/1070276245.db2.gz BVQRZQVXTGVGQG-LVHCJKAXSA-N 0 0 438.492 0.525 20 30 ICEDRN CC[C@H]1C(=O)NCCN1c1nnc(-c2cccn2C)n1CCNC(=O)C1N=CC=CC1=O ZINC001499306925 1070276298 /nfs/dbraw/zinc/27/62/98/1070276298.db2.gz BVQRZQVXTGVGQG-SHUBJWRZSA-N 0 0 438.492 0.525 20 30 ICEDRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccn2C)n1CCNC(=O)C1N=CC=CC1=O ZINC001499306926 1070276269 /nfs/dbraw/zinc/27/62/69/1070276269.db2.gz BVQRZQVXTGVGQG-SYLQMPFCSA-N 0 0 438.492 0.525 20 30 ICEDRN CC[C@H]1C(=O)NCCN1c1nnc(-c2cccn2C)n1CCNC(=O)C1N=CC=CC1=O ZINC001499306927 1070276143 /nfs/dbraw/zinc/27/61/43/1070276143.db2.gz BVQRZQVXTGVGQG-UXPDKRSESA-N 0 0 438.492 0.525 20 30 ICEDRN CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 ZINC001499308241 1070276898 /nfs/dbraw/zinc/27/68/98/1070276898.db2.gz SUVOSQLECMFPJR-GOSISDBHSA-N 0 0 437.504 0.780 20 30 ICEDRN CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 ZINC001499308243 1070276722 /nfs/dbraw/zinc/27/67/22/1070276722.db2.gz SUVOSQLECMFPJR-SFHVURJKSA-N 0 0 437.504 0.780 20 30 ICEDRN CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C ZINC001499330677 1070282659 /nfs/dbraw/zinc/28/26/59/1070282659.db2.gz XUDBCRGQRMZLPP-KRWDZBQOSA-N 0 0 425.493 0.922 20 30 ICEDRN CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C ZINC001499330678 1070282750 /nfs/dbraw/zinc/28/27/50/1070282750.db2.gz XUDBCRGQRMZLPP-QGZVFWFLSA-N 0 0 425.493 0.922 20 30 ICEDRN CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC001499637288 1070287455 /nfs/dbraw/zinc/28/74/55/1070287455.db2.gz ATQRDQQDFYCLKZ-DXQAYGFFSA-N 0 0 443.508 0.656 20 30 ICEDRN CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC001499637290 1070287215 /nfs/dbraw/zinc/28/72/15/1070287215.db2.gz ATQRDQQDFYCLKZ-KIJUOZEOSA-N 0 0 443.508 0.656 20 30 ICEDRN CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC001499637294 1070287320 /nfs/dbraw/zinc/28/73/20/1070287320.db2.gz ATQRDQQDFYCLKZ-QFPXGYFVSA-N 0 0 443.508 0.656 20 30 ICEDRN CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C2N=CC=CC2=O)CCO1 ZINC001499637297 1070287233 /nfs/dbraw/zinc/28/72/33/1070287233.db2.gz ATQRDQQDFYCLKZ-UHHPSXQGSA-N 0 0 443.508 0.656 20 30 ICEDRN CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C2N=CC=CC2=O)C[C@H](C)O1 ZINC001499725619 1070293612 /nfs/dbraw/zinc/29/36/12/1070293612.db2.gz WPUOZXLACGSMLD-JVXKUHPTSA-N 0 0 443.508 0.759 20 30 ICEDRN CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C2N=CC=CC2=O)C[C@@H](C)O1 ZINC001499725620 1070293155 /nfs/dbraw/zinc/29/31/55/1070293155.db2.gz WPUOZXLACGSMLD-NSGUQTEZSA-N 0 0 443.508 0.759 20 30 ICEDRN CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C2N=CC=CC2=O)C[C@H](C)O1 ZINC001499725621 1070293955 /nfs/dbraw/zinc/29/39/55/1070293955.db2.gz WPUOZXLACGSMLD-SYPMDJANSA-N 0 0 443.508 0.759 20 30 ICEDRN CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C2N=CC=CC2=O)C[C@@H](C)O1 ZINC001499725622 1070293899 /nfs/dbraw/zinc/29/38/99/1070293899.db2.gz WPUOZXLACGSMLD-XAEZUAJDSA-N 0 0 443.508 0.759 20 30 ICEDRN CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 ZINC001499782237 1070298517 /nfs/dbraw/zinc/29/85/17/1070298517.db2.gz LLDSPQWJZDRRGR-INIZCTEOSA-N 0 0 434.522 0.893 20 30 ICEDRN CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 ZINC001499782238 1070298400 /nfs/dbraw/zinc/29/84/00/1070298400.db2.gz LLDSPQWJZDRRGR-MRXNPFEDSA-N 0 0 434.522 0.893 20 30 ICEDRN CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001499943069 1070302569 /nfs/dbraw/zinc/30/25/69/1070302569.db2.gz NBUKQGZTLGLMAK-HTAPYJJXSA-N 0 0 437.504 0.515 20 30 ICEDRN CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001499943070 1070302501 /nfs/dbraw/zinc/30/25/01/1070302501.db2.gz NBUKQGZTLGLMAK-JTSKRJEESA-N 0 0 437.504 0.515 20 30 ICEDRN CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001499943071 1070302802 /nfs/dbraw/zinc/30/28/02/1070302802.db2.gz NBUKQGZTLGLMAK-VGOFRKELSA-N 0 0 437.504 0.515 20 30 ICEDRN CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001499943072 1070302742 /nfs/dbraw/zinc/30/27/42/1070302742.db2.gz NBUKQGZTLGLMAK-VGSWGCGISA-N 0 0 437.504 0.515 20 30 ICEDRN CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001499949250 1070302519 /nfs/dbraw/zinc/30/25/19/1070302519.db2.gz FRUJWSBQTURJRX-HTAPYJJXSA-N 0 0 437.504 0.515 20 30 ICEDRN CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001499949251 1070302783 /nfs/dbraw/zinc/30/27/83/1070302783.db2.gz FRUJWSBQTURJRX-JTSKRJEESA-N 0 0 437.504 0.515 20 30 ICEDRN CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001499949252 1070302762 /nfs/dbraw/zinc/30/27/62/1070302762.db2.gz FRUJWSBQTURJRX-VGOFRKELSA-N 0 0 437.504 0.515 20 30 ICEDRN CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001499949253 1070302439 /nfs/dbraw/zinc/30/24/39/1070302439.db2.gz FRUJWSBQTURJRX-VGSWGCGISA-N 0 0 437.504 0.515 20 30 ICEDRN CCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001500194674 1070308098 /nfs/dbraw/zinc/30/80/98/1070308098.db2.gz QAYQFAFBWASKNT-CVEARBPZSA-N 0 0 438.554 0.920 20 30 ICEDRN CCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001500194676 1070307937 /nfs/dbraw/zinc/30/79/37/1070307937.db2.gz QAYQFAFBWASKNT-HOTGVXAUSA-N 0 0 438.554 0.920 20 30 ICEDRN CCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)CC1 ZINC001500194679 1070308037 /nfs/dbraw/zinc/30/80/37/1070308037.db2.gz QAYQFAFBWASKNT-HZPDHXFCSA-N 0 0 438.554 0.920 20 30 ICEDRN CCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 ZINC001500194682 1070307736 /nfs/dbraw/zinc/30/77/36/1070307736.db2.gz QAYQFAFBWASKNT-JKSUJKDBSA-N 0 0 438.554 0.920 20 30 ICEDRN CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001500878005 1070320810 /nfs/dbraw/zinc/32/08/10/1070320810.db2.gz ZWKBUYLUMPUJSU-AWEZNQCLSA-N 0 0 435.558 0.539 20 30 ICEDRN CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001500878006 1070320711 /nfs/dbraw/zinc/32/07/11/1070320711.db2.gz ZWKBUYLUMPUJSU-CQSZACIVSA-N 0 0 435.558 0.539 20 30 ICEDRN CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1=O ZINC001501015015 1070325583 /nfs/dbraw/zinc/32/55/83/1070325583.db2.gz WXUIEILIZFQTOK-UHFFFAOYSA-N 0 0 445.549 0.815 20 30 ICEDRN CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1=O ZINC001501017029 1070326234 /nfs/dbraw/zinc/32/62/34/1070326234.db2.gz PRNARMBFPCNYJD-UHFFFAOYSA-N 0 0 445.549 0.815 20 30 ICEDRN CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001501194615 1070336679 /nfs/dbraw/zinc/33/66/79/1070336679.db2.gz QXVVZUYIGUAIIB-UHFFFAOYSA-N 0 0 438.536 0.553 20 30 ICEDRN CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001501218066 1070341674 /nfs/dbraw/zinc/34/16/74/1070341674.db2.gz PDFRIXDLKZLHAV-KRWDZBQOSA-N 0 0 425.493 0.970 20 30 ICEDRN CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC ZINC001501218067 1070341535 /nfs/dbraw/zinc/34/15/35/1070341535.db2.gz PDFRIXDLKZLHAV-QGZVFWFLSA-N 0 0 425.493 0.970 20 30 ICEDRN CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001501389852 1070345834 /nfs/dbraw/zinc/34/58/34/1070345834.db2.gz YMFBQNUGYHYCMQ-UHFFFAOYSA-N 0 0 439.524 0.488 20 30 ICEDRN CCN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001501416818 1070348666 /nfs/dbraw/zinc/34/86/66/1070348666.db2.gz VVTNKSBMMDWKBO-INIZCTEOSA-N 0 0 437.508 0.301 20 30 ICEDRN CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001501416819 1070348295 /nfs/dbraw/zinc/34/82/95/1070348295.db2.gz VVTNKSBMMDWKBO-MRXNPFEDSA-N 0 0 437.508 0.301 20 30 ICEDRN CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001501431707 1070351963 /nfs/dbraw/zinc/35/19/63/1070351963.db2.gz FBFQDJGCLKPOME-NRFANRHFSA-N 0 0 425.493 0.909 20 30 ICEDRN CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001501431708 1070352410 /nfs/dbraw/zinc/35/24/10/1070352410.db2.gz FBFQDJGCLKPOME-OAQYLSRUSA-N 0 0 425.493 0.909 20 30 ICEDRN CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001501432634 1070352128 /nfs/dbraw/zinc/35/21/28/1070352128.db2.gz UGFDNDYTUQTEBM-INIZCTEOSA-N 0 0 439.476 0.848 20 30 ICEDRN CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001501432635 1070352988 /nfs/dbraw/zinc/35/29/88/1070352988.db2.gz UGFDNDYTUQTEBM-MRXNPFEDSA-N 0 0 439.476 0.848 20 30 ICEDRN CCN(c1nnc(CC2CC2)n1CCNC(=O)C1N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001501648493 1070361526 /nfs/dbraw/zinc/36/15/26/1070361526.db2.gz IGQFXDSWMBNYAG-AMGRQBIBSA-N 0 0 448.549 0.770 20 30 ICEDRN CCN(c1nnc(CC2CC2)n1CCNC(=O)C1N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 ZINC001501648494 1070361380 /nfs/dbraw/zinc/36/13/80/1070361380.db2.gz IGQFXDSWMBNYAG-IJYGLTAASA-N 0 0 448.549 0.770 20 30 ICEDRN CCN(c1nnc(CC2CC2)n1CCNC(=O)C1N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 ZINC001501648495 1070361778 /nfs/dbraw/zinc/36/17/78/1070361778.db2.gz 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COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCS2(=O)=O)cc1 ZINC001518164135 1070905246 /nfs/dbraw/zinc/90/52/46/1070905246.db2.gz DCKKUXSSVUSBID-QGZVFWFLSA-N 0 0 432.506 0.718 20 30 ICEDRN COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1 ZINC001518214390 1070908012 /nfs/dbraw/zinc/90/80/12/1070908012.db2.gz XCKPJTCUZKLDFE-IBGZPJMESA-N 0 0 440.504 0.659 20 30 ICEDRN COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N2CCOCC2)cc1 ZINC001518214393 1070907976 /nfs/dbraw/zinc/90/79/76/1070907976.db2.gz XCKPJTCUZKLDFE-LJQANCHMSA-N 0 0 440.504 0.659 20 30 ICEDRN COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c(OC)n1 ZINC001518286956 1070911169 /nfs/dbraw/zinc/91/11/69/1070911169.db2.gz LNPQVKHHDHQOAP-HNNXBMFYSA-N 0 0 427.465 0.590 20 30 ICEDRN COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 ZINC001518286963 1070911060 /nfs/dbraw/zinc/91/10/60/1070911060.db2.gz LNPQVKHHDHQOAP-OAHLLOKOSA-N 0 0 427.465 0.590 20 30 ICEDRN N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nnc4n3CCOC4)CC2)cc1 ZINC001518323382 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ZINC001538539889 1071539252 /nfs/dbraw/zinc/53/92/52/1071539252.db2.gz OHKJVWFHQONXSG-PYWIUJKZSA-N 0 0 433.534 0.505 20 30 ICEDRN Cn1cc([C@@H]2[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC(=O)N2C(C)(C)C)cn1 ZINC001538539890 1071539310 /nfs/dbraw/zinc/53/93/10/1071539310.db2.gz OHKJVWFHQONXSG-VZHLBOQGSA-N 0 0 433.534 0.505 20 30 ICEDRN CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 ZINC001538540008 1071539242 /nfs/dbraw/zinc/53/92/42/1071539242.db2.gz PGQAPWHPELRAPB-NQYLQCIDSA-N 0 0 430.486 0.581 20 30 ICEDRN CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 ZINC001538540014 1071539062 /nfs/dbraw/zinc/53/90/62/1071539062.db2.gz PGQAPWHPELRAPB-VHFSOBRXSA-N 0 0 430.486 0.581 20 30 ICEDRN Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 ZINC001538540094 1071539088 /nfs/dbraw/zinc/53/90/88/1071539088.db2.gz RANPKUQVZQGKCQ-KSSFIOAISA-N 0 0 440.547 0.210 20 30 ICEDRN CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 ZINC001538540110 1071539149 /nfs/dbraw/zinc/53/91/49/1071539149.db2.gz RTLOGJIQQICZCC-LPHOPBHVSA-N 0 0 439.559 0.915 20 30 ICEDRN N#C[C@@]12CN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)C[C@H]1CS(=O)(=O)C2 ZINC001538540280 1071539133 /nfs/dbraw/zinc/53/91/33/1071539133.db2.gz UARZBRLJEKRYIQ-UGSOOPFHSA-N 0 0 440.499 0.018 20 30 ICEDRN N#C[C@@]12CN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3Cl)C[C@H]1CS(=O)(=O)C2 ZINC001538540463 1071539321 /nfs/dbraw/zinc/53/93/21/1071539321.db2.gz XLHBCIYJMSPEQP-SJCJKPOMSA-N 0 0 443.934 0.890 20 30 ICEDRN CCN1C(=O)CO[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccnn1C ZINC001538547158 1071539099 /nfs/dbraw/zinc/53/90/99/1071539099.db2.gz BWLMFPPMXSFGAY-YADHBBJMSA-N 0 0 436.516 0.925 20 30 ICEDRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 ZINC001538583509 1071541693 /nfs/dbraw/zinc/54/16/93/1071541693.db2.gz VVCWTGXWDKDGKO-UHFFFAOYSA-N 0 0 437.518 0.743 20 30 ICEDRN CCOC(=O)CON=C(C(=O)N1CCN(CCOc2ccccc2)CC1)c1ccn[nH]1 ZINC001538617294 1071542389 /nfs/dbraw/zinc/54/23/89/1071542389.db2.gz MAEFBEQVBPCODT-UHFFFAOYSA-N 0 0 429.477 0.917 20 30 ICEDRN O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001538727175 1071546983 /nfs/dbraw/zinc/54/69/83/1071546983.db2.gz QRVZKBBHIKEQNB-ACZMJKKPSA-N 0 0 444.300 0.529 20 30 ICEDRN O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001538727176 1071546838 /nfs/dbraw/zinc/54/68/38/1071546838.db2.gz QRVZKBBHIKEQNB-QYNIQEEDSA-N 0 0 444.300 0.529 20 30 ICEDRN O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001538727177 1071546686 /nfs/dbraw/zinc/54/66/86/1071546686.db2.gz QRVZKBBHIKEQNB-XVMARJQXSA-N 0 0 444.300 0.529 20 30 ICEDRN CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC001538746750 1071547735 /nfs/dbraw/zinc/54/77/35/1071547735.db2.gz XRGNXKNQXXWMAX-ZIAGYGMSSA-N 0 0 438.506 0.476 20 30 ICEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)s1 ZINC001538749687 1071547673 /nfs/dbraw/zinc/54/76/73/1071547673.db2.gz FDDPFLNSFKPVOC-HNNXBMFYSA-N 0 0 427.548 0.605 20 30 ICEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)s1 ZINC001538749688 1071547380 /nfs/dbraw/zinc/54/73/80/1071547380.db2.gz FDDPFLNSFKPVOC-OAHLLOKOSA-N 0 0 427.548 0.605 20 30 ICEDRN N#C[C@]12CN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 ZINC001538760472 1071548206 /nfs/dbraw/zinc/54/82/06/1071548206.db2.gz BBGNCOKGAXLDLW-JTDSTZFVSA-N 0 0 437.543 0.484 20 30 ICEDRN N#C[C@]12CN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 ZINC001538760476 1071548282 /nfs/dbraw/zinc/54/82/82/1071548282.db2.gz BBGNCOKGAXLDLW-TXPKVOOTSA-N 0 0 437.543 0.484 20 30 ICEDRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 ZINC001538760546 1071548073 /nfs/dbraw/zinc/54/80/73/1071548073.db2.gz BUZWHGHOIIYUOJ-MAUKXSAKSA-N 0 0 425.532 0.726 20 30 ICEDRN Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001538761128 1071548715 /nfs/dbraw/zinc/54/87/15/1071548715.db2.gz RANPKUQVZQGKCQ-KBXCAEBGSA-N 0 0 440.547 0.210 20 30 ICEDRN N#C[C@]12CN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)C[C@H]1CS(=O)(=O)C2 ZINC001538761376 1071548884 /nfs/dbraw/zinc/54/88/84/1071548884.db2.gz XWXILUBCJKFXRT-ZUZCIYMTSA-N 0 0 437.279 0.435 20 30 ICEDRN CC[C@@H](Sc1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1)C(N)=O ZINC001538765196 1071548932 /nfs/dbraw/zinc/54/89/32/1071548932.db2.gz GFQJNRZLVCVWEE-KANYHAFZSA-N 0 0 428.561 0.438 20 30 ICEDRN CC[C@H](Sc1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1)C(N)=O ZINC001538765197 1071548819 /nfs/dbraw/zinc/54/88/19/1071548819.db2.gz GFQJNRZLVCVWEE-KNHMANMVSA-N 0 0 428.561 0.438 20 30 ICEDRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 ZINC001538765232 1071548854 /nfs/dbraw/zinc/54/88/54/1071548854.db2.gz HRKUCGFVWHXPLE-VDZJLULYSA-N 0 0 437.543 0.545 20 30 ICEDRN N#C[C@]12CN(C(=O)[C@H]3Cc4ccc(Br)cc4C(=O)O3)C[C@H]1CS(=O)(=O)C2 ZINC001538766203 1071548670 /nfs/dbraw/zinc/54/86/70/1071548670.db2.gz RRGOUGBMJPBSEP-FABXCBLPSA-N 0 0 439.287 0.927 20 30 ICEDRN N#C[C@]12CN(C(=O)[C@@H]3Cc4ccc(Br)cc4C(=O)O3)C[C@H]1CS(=O)(=O)C2 ZINC001538766204 1071549447 /nfs/dbraw/zinc/54/94/47/1071549447.db2.gz RRGOUGBMJPBSEP-PZSREKOKSA-N 0 0 439.287 0.927 20 30 ICEDRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCc3nc(C#N)cs3)cc2)CC1 ZINC001538824382 1071549378 /nfs/dbraw/zinc/54/93/78/1071549378.db2.gz FGMTXWTYCKMPPR-UHFFFAOYSA-N 0 0 433.515 0.798 20 30 ICEDRN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCO[C@@](C)(C#N)C1 ZINC001538844244 1071549979 /nfs/dbraw/zinc/54/99/79/1071549979.db2.gz LOVNOVHJJKDXCS-FQEVSTJZSA-N 0 0 436.534 0.776 20 30 ICEDRN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCO[C@](C)(C#N)C1 ZINC001538844245 1071550160 /nfs/dbraw/zinc/55/01/60/1071550160.db2.gz LOVNOVHJJKDXCS-HXUWFJFHSA-N 0 0 436.534 0.776 20 30 ICEDRN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCO[C@@](C)(C#N)C3)ccc2F)CC1 ZINC001538844856 1071550142 /nfs/dbraw/zinc/55/01/42/1071550142.db2.gz ZOWNUEHKOMGNJH-IBGZPJMESA-N 0 0 438.481 0.433 20 30 ICEDRN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCO[C@](C)(C#N)C3)ccc2F)CC1 ZINC001538844857 1071550651 /nfs/dbraw/zinc/55/06/51/1071550651.db2.gz ZOWNUEHKOMGNJH-LJQANCHMSA-N 0 0 438.481 0.433 20 30 ICEDRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2ccsc2C#N)CC1 ZINC001538933022 1071555753 /nfs/dbraw/zinc/55/57/53/1071555753.db2.gz JIQHQAZMLAOLJD-UHFFFAOYSA-N 0 0 449.558 0.942 20 30 ICEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)s1 ZINC001538948838 1071555529 /nfs/dbraw/zinc/55/55/29/1071555529.db2.gz QVKFCIFLVUJGLT-UHFFFAOYSA-N 0 0 440.591 0.522 20 30 ICEDRN C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 ZINC001538961813 1071556111 /nfs/dbraw/zinc/55/61/11/1071556111.db2.gz CKBKPOJYPXLXEZ-HNNXBMFYSA-N 0 0 430.534 0.928 20 30 ICEDRN C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 ZINC001538961818 1071556172 /nfs/dbraw/zinc/55/61/72/1071556172.db2.gz CKBKPOJYPXLXEZ-OAHLLOKOSA-N 0 0 430.534 0.928 20 30 ICEDRN C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)NC ZINC001538965096 1071556142 /nfs/dbraw/zinc/55/61/42/1071556142.db2.gz MOVGPJZICNCDJM-CYBMUJFWSA-N 0 0 438.941 0.869 20 30 ICEDRN C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)NC ZINC001538965099 1071556108 /nfs/dbraw/zinc/55/61/08/1071556108.db2.gz MOVGPJZICNCDJM-ZDUSSCGKSA-N 0 0 438.941 0.869 20 30 ICEDRN C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(OC)c1 ZINC001538975008 1071556696 /nfs/dbraw/zinc/55/66/96/1071556696.db2.gz WFOBOOTVBJCALL-CABCVRRESA-N 0 0 448.549 0.785 20 30 ICEDRN C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(OC)c1 ZINC001538975009 1071556629 /nfs/dbraw/zinc/55/66/29/1071556629.db2.gz WFOBOOTVBJCALL-GJZGRUSLSA-N 0 0 448.549 0.785 20 30 ICEDRN C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(OC)c1 ZINC001538975010 1071556640 /nfs/dbraw/zinc/55/66/40/1071556640.db2.gz WFOBOOTVBJCALL-HUUCEWRRSA-N 0 0 448.549 0.785 20 30 ICEDRN C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(OC)c1 ZINC001538975011 1071556689 /nfs/dbraw/zinc/55/66/89/1071556689.db2.gz WFOBOOTVBJCALL-LSDHHAIUSA-N 0 0 448.549 0.785 20 30 ICEDRN C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1ccn[nH]1 ZINC001538983786 1071556563 /nfs/dbraw/zinc/55/65/63/1071556563.db2.gz XPQPDTHIBIQFPW-AWEZNQCLSA-N 0 0 441.517 0.960 20 30 ICEDRN C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)c1ccn[nH]1 ZINC001538983787 1071556649 /nfs/dbraw/zinc/55/66/49/1071556649.db2.gz XPQPDTHIBIQFPW-CQSZACIVSA-N 0 0 441.517 0.960 20 30 ICEDRN C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)NC(C)C ZINC001538992384 1071556619 /nfs/dbraw/zinc/55/66/19/1071556619.db2.gz QIPAJUBMJFQCER-HNNXBMFYSA-N 0 0 443.537 0.707 20 30 ICEDRN C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)NC(C)C ZINC001538992385 1071556708 /nfs/dbraw/zinc/55/67/08/1071556708.db2.gz QIPAJUBMJFQCER-OAHLLOKOSA-N 0 0 443.537 0.707 20 30 ICEDRN C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CC1 ZINC001538992602 1071556530 /nfs/dbraw/zinc/55/65/30/1071556530.db2.gz UUIZXDCVQWLKRU-AWEZNQCLSA-N 0 0 426.506 0.956 20 30 ICEDRN C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CC1 ZINC001538992603 1071557223 /nfs/dbraw/zinc/55/72/23/1071557223.db2.gz UUIZXDCVQWLKRU-CQSZACIVSA-N 0 0 426.506 0.956 20 30 ICEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@H]1C ZINC001539012007 1071557185 /nfs/dbraw/zinc/55/71/85/1071557185.db2.gz DLCSXIAOWJRYKG-DRMAHVMPSA-N 0 0 425.555 0.620 20 30 ICEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(O)CCC[C@@H]1C ZINC001539012013 1071557170 /nfs/dbraw/zinc/55/71/70/1071557170.db2.gz DLCSXIAOWJRYKG-FPXQBCRKSA-N 0 0 425.555 0.620 20 30 ICEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@@H]1C ZINC001539012015 1071557199 /nfs/dbraw/zinc/55/71/99/1071557199.db2.gz DLCSXIAOWJRYKG-IUVQAAGXSA-N 0 0 425.555 0.620 20 30 ICEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(O)CCC[C@H]1C ZINC001539012017 1071557191 /nfs/dbraw/zinc/55/71/91/1071557191.db2.gz DLCSXIAOWJRYKG-PASDCYSWSA-N 0 0 425.555 0.620 20 30 ICEDRN C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 ZINC001539012256 1071557196 /nfs/dbraw/zinc/55/71/96/1071557196.db2.gz FIGLYHHJIMKBEM-AAEUAGOBSA-N 0 0 425.540 0.277 20 30 ICEDRN C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 ZINC001539012257 1071557216 /nfs/dbraw/zinc/55/72/16/1071557216.db2.gz FIGLYHHJIMKBEM-DGCLKSJQSA-N 0 0 425.540 0.277 20 30 ICEDRN C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 ZINC001539012258 1071557168 /nfs/dbraw/zinc/55/71/68/1071557168.db2.gz FIGLYHHJIMKBEM-WCQYABFASA-N 0 0 425.540 0.277 20 30 ICEDRN C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nnc(C)s1 ZINC001539012259 1071557205 /nfs/dbraw/zinc/55/72/05/1071557205.db2.gz FIGLYHHJIMKBEM-YPMHNXCESA-N 0 0 425.540 0.277 20 30 ICEDRN 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ICEDRN C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCn1cccn1 ZINC001539071901 1071560596 /nfs/dbraw/zinc/56/05/96/1071560596.db2.gz GWPYCOZNUGPMBW-KRWDZBQOSA-N 0 0 435.554 0.747 20 30 ICEDRN C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCn1cccn1 ZINC001539071902 1071560531 /nfs/dbraw/zinc/56/05/31/1071560531.db2.gz GWPYCOZNUGPMBW-QGZVFWFLSA-N 0 0 435.554 0.747 20 30 ICEDRN C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001539072348 1071560494 /nfs/dbraw/zinc/56/04/94/1071560494.db2.gz PTXDCAYLNBLQDL-CVEARBPZSA-N 0 0 439.538 0.414 20 30 ICEDRN C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001539072349 1071560603 /nfs/dbraw/zinc/56/06/03/1071560603.db2.gz PTXDCAYLNBLQDL-HOTGVXAUSA-N 0 0 439.538 0.414 20 30 ICEDRN C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(=O)OC)C1 ZINC001539072350 1071560623 /nfs/dbraw/zinc/56/06/23/1071560623.db2.gz PTXDCAYLNBLQDL-HZPDHXFCSA-N 0 0 439.538 0.414 20 30 ICEDRN C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(=O)OC)C1 ZINC001539072351 1071560459 /nfs/dbraw/zinc/56/04/59/1071560459.db2.gz PTXDCAYLNBLQDL-JKSUJKDBSA-N 0 0 439.538 0.414 20 30 ICEDRN C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001539072463 1071560612 /nfs/dbraw/zinc/56/06/12/1071560612.db2.gz RQSULCLZRSHBCS-HNNXBMFYSA-N 0 0 429.568 0.065 20 30 ICEDRN C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001539072464 1071560631 /nfs/dbraw/zinc/56/06/31/1071560631.db2.gz RQSULCLZRSHBCS-OAHLLOKOSA-N 0 0 429.568 0.065 20 30 ICEDRN C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001539072551 1071560638 /nfs/dbraw/zinc/56/06/38/1071560638.db2.gz SKZJALUDWHHKSV-CVEARBPZSA-N 0 0 438.554 0.081 20 30 ICEDRN C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001539072555 1071560545 /nfs/dbraw/zinc/56/05/45/1071560545.db2.gz SKZJALUDWHHKSV-HOTGVXAUSA-N 0 0 438.554 0.081 20 30 ICEDRN C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001539072558 1071560571 /nfs/dbraw/zinc/56/05/71/1071560571.db2.gz SKZJALUDWHHKSV-HZPDHXFCSA-N 0 0 438.554 0.081 20 30 ICEDRN C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001539072560 1071560556 /nfs/dbraw/zinc/56/05/56/1071560556.db2.gz SKZJALUDWHHKSV-JKSUJKDBSA-N 0 0 438.554 0.081 20 30 ICEDRN C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001539076046 1071561112 /nfs/dbraw/zinc/56/11/12/1071561112.db2.gz JSHRQYYUQPOMEU-UHFFFAOYSA-N 0 0 434.508 0.403 20 30 ICEDRN C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001539078616 1071561301 /nfs/dbraw/zinc/56/13/01/1071561301.db2.gz BBWSIDNUFWMAQE-UHFFFAOYSA-N 0 0 427.553 0.605 20 30 ICEDRN C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001539079555 1071561058 /nfs/dbraw/zinc/56/10/58/1071561058.db2.gz VPTRPRMYEIGEQL-GOSISDBHSA-N 0 0 441.580 0.993 20 30 ICEDRN C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001539079556 1071561139 /nfs/dbraw/zinc/56/11/39/1071561139.db2.gz VPTRPRMYEIGEQL-SFHVURJKSA-N 0 0 441.580 0.993 20 30 ICEDRN C#CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001539087048 1071561154 /nfs/dbraw/zinc/56/11/54/1071561154.db2.gz QSIAWNKVCOPZPA-HTAPYJJXSA-N 0 0 444.536 0.269 20 30 ICEDRN C#CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001539087049 1071561239 /nfs/dbraw/zinc/56/12/39/1071561239.db2.gz QSIAWNKVCOPZPA-JTSKRJEESA-N 0 0 444.536 0.269 20 30 ICEDRN C#CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001539087050 1071561249 /nfs/dbraw/zinc/56/12/49/1071561249.db2.gz QSIAWNKVCOPZPA-VGOFRKELSA-N 0 0 444.536 0.269 20 30 ICEDRN C#CCCCCn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001539087051 1071561126 /nfs/dbraw/zinc/56/11/26/1071561126.db2.gz QSIAWNKVCOPZPA-VGSWGCGISA-N 0 0 444.536 0.269 20 30 ICEDRN C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC001539089175 1071561076 /nfs/dbraw/zinc/56/10/76/1071561076.db2.gz JMQZDQWTJBGMRQ-UHFFFAOYSA-N 0 0 442.524 0.887 20 30 ICEDRN C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001539089412 1071561224 /nfs/dbraw/zinc/56/12/24/1071561224.db2.gz LMZONQBWSOQPFT-UHFFFAOYSA-N 0 0 429.569 0.964 20 30 ICEDRN C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001539089622 1071561095 /nfs/dbraw/zinc/56/10/95/1071561095.db2.gz OKODJABIBLQMQP-UHFFFAOYSA-N 0 0 449.537 0.470 20 30 ICEDRN C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001539090211 1071561260 /nfs/dbraw/zinc/56/12/60/1071561260.db2.gz ZSXCHTGNFAPCLK-GOSISDBHSA-N 0 0 449.515 0.708 20 30 ICEDRN C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001539090212 1071561171 /nfs/dbraw/zinc/56/11/71/1071561171.db2.gz ZSXCHTGNFAPCLK-SFHVURJKSA-N 0 0 449.515 0.708 20 30 ICEDRN C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001539094316 1071561904 /nfs/dbraw/zinc/56/19/04/1071561904.db2.gz NYFWLEYDLFCKHZ-BBWFWOEESA-N 0 0 426.587 0.847 20 30 ICEDRN C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC001539094317 1071562052 /nfs/dbraw/zinc/56/20/52/1071562052.db2.gz NYFWLEYDLFCKHZ-IXDOHACOSA-N 0 0 426.587 0.847 20 30 ICEDRN C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001539094714 1071561976 /nfs/dbraw/zinc/56/19/76/1071561976.db2.gz UCWNUKCOEKYVKA-HNNXBMFYSA-N 0 0 434.522 0.857 20 30 ICEDRN C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)c2ccco2)CC1 ZINC001539094715 1071562095 /nfs/dbraw/zinc/56/20/95/1071562095.db2.gz UCWNUKCOEKYVKA-OAHLLOKOSA-N 0 0 434.522 0.857 20 30 ICEDRN C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001539096085 1071561828 /nfs/dbraw/zinc/56/18/28/1071561828.db2.gz QCBAMGYUEFHJSC-GOSISDBHSA-N 0 0 446.552 0.687 20 30 ICEDRN C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001539096086 1071561860 /nfs/dbraw/zinc/56/18/60/1071561860.db2.gz QCBAMGYUEFHJSC-SFHVURJKSA-N 0 0 446.552 0.687 20 30 ICEDRN C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001539104017 1071562103 /nfs/dbraw/zinc/56/21/03/1071562103.db2.gz AMQKDIVLZBPTDI-UHFFFAOYSA-N 0 0 441.521 0.416 20 30 ICEDRN C#CCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(C(=O)COC)CC1 ZINC001539116046 1071562513 /nfs/dbraw/zinc/56/25/13/1071562513.db2.gz JTGFTCDBJMGSJN-UHFFFAOYSA-N 0 0 449.515 0.900 20 30 ICEDRN CSC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001539117593 1071562409 /nfs/dbraw/zinc/56/24/09/1071562409.db2.gz AIVZHFWQQFMDTI-HLMBZOQJSA-N 0 0 439.559 0.290 20 30 ICEDRN CSC[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001539117594 1071562445 /nfs/dbraw/zinc/56/24/45/1071562445.db2.gz AIVZHFWQQFMDTI-KVMGVCFTSA-N 0 0 439.559 0.290 20 30 ICEDRN CSC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001539117595 1071562539 /nfs/dbraw/zinc/56/25/39/1071562539.db2.gz AIVZHFWQQFMDTI-LADRPBIPSA-N 0 0 439.559 0.290 20 30 ICEDRN CSC[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001539117596 1071562480 /nfs/dbraw/zinc/56/24/80/1071562480.db2.gz AIVZHFWQQFMDTI-WCHVHBCKSA-N 0 0 439.559 0.290 20 30 ICEDRN CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1 ZINC001539118029 1071563150 /nfs/dbraw/zinc/56/31/50/1071563150.db2.gz DVPZRZNMOFSMDV-AUSJPIAWSA-N 0 0 430.486 0.395 20 30 ICEDRN CC(=O)Nc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1 ZINC001539118030 1071563140 /nfs/dbraw/zinc/56/31/40/1071563140.db2.gz DVPZRZNMOFSMDV-QEEYODRMSA-N 0 0 430.486 0.395 20 30 ICEDRN CS(=O)(=O)c1ccc(OCCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 ZINC001539118079 1071563032 /nfs/dbraw/zinc/56/30/32/1071563032.db2.gz GTHKAXHRFZVECX-KBXCAEBGSA-N 0 0 426.516 0.646 20 30 ICEDRN N#C[C@]12CN(C(=O)CN3C(=O)c4cc(Cl)c(Cl)cc4C3=O)C[C@H]1CS(=O)(=O)C2 ZINC001539118217 1071562973 /nfs/dbraw/zinc/56/29/73/1071562973.db2.gz IQCNDZMGADBODW-HUTHGQBESA-N 0 0 442.280 0.986 20 30 ICEDRN N#C[C@]12CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 ZINC001539118287 1071563073 /nfs/dbraw/zinc/56/30/73/1071563073.db2.gz LECDRIFWQGLMLM-GRDNDAEWSA-N 0 0 443.572 0.688 20 30 ICEDRN N#C[C@]12CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 ZINC001539118288 1071563105 /nfs/dbraw/zinc/56/31/05/1071563105.db2.gz LECDRIFWQGLMLM-JJRVBVJISA-N 0 0 443.572 0.688 20 30 ICEDRN CN(CCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)S(=O)(=O)c1ccc(F)cc1 ZINC001539118447 1071562993 /nfs/dbraw/zinc/56/29/93/1071562993.db2.gz MSLBSUOHSKIOKR-KBXCAEBGSA-N 0 0 443.522 0.623 20 30 ICEDRN CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001539119626 1071563094 /nfs/dbraw/zinc/56/30/94/1071563094.db2.gz ZEDPOAVOULSPEL-ADLFWFRXSA-N 0 0 432.477 0.751 20 30 ICEDRN CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001539119629 1071563023 /nfs/dbraw/zinc/56/30/23/1071563023.db2.gz ZEDPOAVOULSPEL-BOUXLOLZSA-N 0 0 432.477 0.751 20 30 ICEDRN N#C[C@]12CN(C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 ZINC001539119765 1071562982 /nfs/dbraw/zinc/56/29/82/1071562982.db2.gz ZRKYZAKFSJFFKP-KVSKMBFKSA-N 0 0 437.543 0.627 20 30 ICEDRN N#C[C@]12CN(C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 ZINC001539119772 1071563067 /nfs/dbraw/zinc/56/30/67/1071563067.db2.gz ZRKYZAKFSJFFKP-VDZJLULYSA-N 0 0 437.543 0.627 20 30 ICEDRN C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001539120238 1071563056 /nfs/dbraw/zinc/56/30/56/1071563056.db2.gz SXSRHGCBRLUQDO-MSOLQXFVSA-N 0 0 437.566 0.826 20 30 ICEDRN C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001539120239 1071563170 /nfs/dbraw/zinc/56/31/70/1071563170.db2.gz SXSRHGCBRLUQDO-QZTJIDSGSA-N 0 0 437.566 0.826 20 30 ICEDRN C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001539120240 1071563084 /nfs/dbraw/zinc/56/30/84/1071563084.db2.gz SXSRHGCBRLUQDO-ROUUACIJSA-N 0 0 437.566 0.826 20 30 ICEDRN C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001539120241 1071563577 /nfs/dbraw/zinc/56/35/77/1071563577.db2.gz SXSRHGCBRLUQDO-ZWKOTPCHSA-N 0 0 437.566 0.826 20 30 ICEDRN C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)OC)CC1 ZINC001539125471 1071564105 /nfs/dbraw/zinc/56/41/05/1071564105.db2.gz MIXMGYYCBULZAR-INIZCTEOSA-N 0 0 439.538 0.414 20 30 ICEDRN C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(=O)OC)CC1 ZINC001539125472 1071564137 /nfs/dbraw/zinc/56/41/37/1071564137.db2.gz MIXMGYYCBULZAR-MRXNPFEDSA-N 0 0 439.538 0.414 20 30 ICEDRN C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001539125533 1071564101 /nfs/dbraw/zinc/56/41/01/1071564101.db2.gz NXCMVHGVJUPDNO-INIZCTEOSA-N 0 0 445.549 0.719 20 30 ICEDRN C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001539125537 1071564125 /nfs/dbraw/zinc/56/41/25/1071564125.db2.gz NXCMVHGVJUPDNO-MRXNPFEDSA-N 0 0 445.549 0.719 20 30 ICEDRN C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 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C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCC)[C@H]1CCS(=O)(=O)C1 ZINC001539202780 1071570784 /nfs/dbraw/zinc/57/07/84/1071570784.db2.gz LEBCTXRQEXIKCC-GJZGRUSLSA-N 0 0 431.584 0.705 20 30 ICEDRN C#CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC001539202782 1071570741 /nfs/dbraw/zinc/57/07/41/1071570741.db2.gz LEBCTXRQEXIKCC-HUUCEWRRSA-N 0 0 431.584 0.705 20 30 ICEDRN C#CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC001539202784 1071570819 /nfs/dbraw/zinc/57/08/19/1071570819.db2.gz LEBCTXRQEXIKCC-LSDHHAIUSA-N 0 0 431.584 0.705 20 30 ICEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001539203626 1071570789 /nfs/dbraw/zinc/57/07/89/1071570789.db2.gz SWFQLCHOCSVERT-HNNXBMFYSA-N 0 0 425.555 0.858 20 30 ICEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001539203627 1071570700 /nfs/dbraw/zinc/57/07/00/1071570700.db2.gz SWFQLCHOCSVERT-OAHLLOKOSA-N 0 0 425.555 0.858 20 30 ICEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001539203772 1071570756 /nfs/dbraw/zinc/57/07/56/1071570756.db2.gz VAFNAHWDQUPHBT-CYBMUJFWSA-N 0 0 433.481 0.325 20 30 ICEDRN C#CCN(c1nnc(C(=O)NC(C)C)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC001539203773 1071570808 /nfs/dbraw/zinc/57/08/08/1071570808.db2.gz VAFNAHWDQUPHBT-ZDUSSCGKSA-N 0 0 433.481 0.325 20 30 ICEDRN C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 ZINC001539205322 1071571317 /nfs/dbraw/zinc/57/13/17/1071571317.db2.gz GQKTYZJAYXMGAH-JXFKEZNVSA-N 0 0 449.533 0.902 20 30 ICEDRN C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 ZINC001539205324 1071571231 /nfs/dbraw/zinc/57/12/31/1071571231.db2.gz GQKTYZJAYXMGAH-OXJNMPFZSA-N 0 0 449.533 0.902 20 30 ICEDRN C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 ZINC001539205325 1071571309 /nfs/dbraw/zinc/57/13/09/1071571309.db2.gz GQKTYZJAYXMGAH-OXQOHEQNSA-N 0 0 449.533 0.902 20 30 ICEDRN C#CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 ZINC001539205326 1071571255 /nfs/dbraw/zinc/57/12/55/1071571255.db2.gz GQKTYZJAYXMGAH-UZLBHIALSA-N 0 0 449.533 0.902 20 30 ICEDRN C#CCN(c1nnc(C)n1C[C@@]1(N2CCOCC2)CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC001539205405 1071571302 /nfs/dbraw/zinc/57/13/02/1071571302.db2.gz IGOITXGIAKKNBC-HKUYNNGSSA-N 0 0 439.607 0.421 20 30 ICEDRN C#CCN(c1nnc(C)n1C[C@]1(N2CCOCC2)CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC001539205406 1071571247 /nfs/dbraw/zinc/57/12/47/1071571247.db2.gz IGOITXGIAKKNBC-IEBWSBKVSA-N 0 0 439.607 0.421 20 30 ICEDRN C#CCN(c1nnc(C)n1C[C@@]1(N2CCOCC2)CCSC1)[C@@H]1CCS(=O)(=O)C1 ZINC001539205407 1071571216 /nfs/dbraw/zinc/57/12/16/1071571216.db2.gz IGOITXGIAKKNBC-MJGOQNOKSA-N 0 0 439.607 0.421 20 30 ICEDRN C#CCN(c1nnc(C)n1C[C@]1(N2CCOCC2)CCSC1)[C@H]1CCS(=O)(=O)C1 ZINC001539205408 1071571326 /nfs/dbraw/zinc/57/13/26/1071571326.db2.gz IGOITXGIAKKNBC-PKOBYXMFSA-N 0 0 439.607 0.421 20 30 ICEDRN C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 ZINC001539205766 1071571262 /nfs/dbraw/zinc/57/12/62/1071571262.db2.gz KJPXKMFWYKKKGJ-JXFKEZNVSA-N 0 0 440.566 0.982 20 30 ICEDRN C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 ZINC001539205769 1071571225 /nfs/dbraw/zinc/57/12/25/1071571225.db2.gz KJPXKMFWYKKKGJ-OXJNMPFZSA-N 0 0 440.566 0.982 20 30 ICEDRN C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC001539205771 1071571285 /nfs/dbraw/zinc/57/12/85/1071571285.db2.gz KJPXKMFWYKKKGJ-OXQOHEQNSA-N 0 0 440.566 0.982 20 30 ICEDRN C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 ZINC001539205774 1071571176 /nfs/dbraw/zinc/57/11/76/1071571176.db2.gz KJPXKMFWYKKKGJ-UZLBHIALSA-N 0 0 440.566 0.982 20 30 ICEDRN C#CCN(c1nnc(C)n1Cc1ccc(OCCO)c(OC)c1)[C@H]1CCS(=O)(=O)C1 ZINC001539206569 1071571203 /nfs/dbraw/zinc/57/12/03/1071571203.db2.gz RKMZABWVQJNXNB-KRWDZBQOSA-N 0 0 434.518 0.641 20 30 ICEDRN C#CCN(c1nnc(C)n1Cc1ccc(OCCO)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001539206570 1071571196 /nfs/dbraw/zinc/57/11/96/1071571196.db2.gz RKMZABWVQJNXNB-QGZVFWFLSA-N 0 0 434.518 0.641 20 30 ICEDRN C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001539206877 1071571279 /nfs/dbraw/zinc/57/12/79/1071571279.db2.gz WLBFQRANJUHXKT-DOTOQJQBSA-N 0 0 436.538 0.411 20 30 ICEDRN C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001539206878 1071571239 /nfs/dbraw/zinc/57/12/39/1071571239.db2.gz WLBFQRANJUHXKT-NVXWUHKLSA-N 0 0 436.538 0.411 20 30 ICEDRN C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC001539206879 1071571293 /nfs/dbraw/zinc/57/12/93/1071571293.db2.gz WLBFQRANJUHXKT-RDJZCZTQSA-N 0 0 436.538 0.411 20 30 ICEDRN C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC001539206880 1071571267 /nfs/dbraw/zinc/57/12/67/1071571267.db2.gz WLBFQRANJUHXKT-WBVHZDCISA-N 0 0 436.538 0.411 20 30 ICEDRN C#CCN(c1nnc(-c2cccn2C)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001539210115 1071571840 /nfs/dbraw/zinc/57/18/40/1071571840.db2.gz AUBMIJZTMDUCBD-MSOLQXFVSA-N 0 0 446.577 0.631 20 30 ICEDRN C#CCN(c1nnc(-c2cccn2C)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001539210118 1071571779 /nfs/dbraw/zinc/57/17/79/1071571779.db2.gz AUBMIJZTMDUCBD-QZTJIDSGSA-N 0 0 446.577 0.631 20 30 ICEDRN C#CCN(c1nnc(-c2cccn2C)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001539210120 1071571805 /nfs/dbraw/zinc/57/18/05/1071571805.db2.gz AUBMIJZTMDUCBD-ROUUACIJSA-N 0 0 446.577 0.631 20 30 ICEDRN C#CCN(c1nnc(-c2cccn2C)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001539210122 1071571873 /nfs/dbraw/zinc/57/18/73/1071571873.db2.gz AUBMIJZTMDUCBD-ZWKOTPCHSA-N 0 0 446.577 0.631 20 30 ICEDRN C#CCN(c1nnc(-c2cccn2C)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001539210146 1071571867 /nfs/dbraw/zinc/57/18/67/1071571867.db2.gz BBEBVKUWYWIMRS-INIZCTEOSA-N 0 0 430.534 0.437 20 30 ICEDRN C#CCN(c1nnc(-c2cccn2C)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001539210147 1071571744 /nfs/dbraw/zinc/57/17/44/1071571744.db2.gz BBEBVKUWYWIMRS-MRXNPFEDSA-N 0 0 430.534 0.437 20 30 ICEDRN C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 ZINC001539210302 1071571832 /nfs/dbraw/zinc/57/18/32/1071571832.db2.gz BHLSVXITTVQIGE-GOSISDBHSA-N 0 0 440.529 0.970 20 30 ICEDRN C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 ZINC001539210305 1071571825 /nfs/dbraw/zinc/57/18/25/1071571825.db2.gz BHLSVXITTVQIGE-SFHVURJKSA-N 0 0 440.529 0.970 20 30 ICEDRN C#CCN(c1nnc(-c2cccn2C)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 ZINC001539210905 1071571786 /nfs/dbraw/zinc/57/17/86/1071571786.db2.gz HUEKTYPFTFRIIB-HNNXBMFYSA-N 0 0 428.522 0.570 20 30 ICEDRN C#CCN(c1nnc(-c2cccn2C)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 ZINC001539210906 1071571731 /nfs/dbraw/zinc/57/17/31/1071571731.db2.gz HUEKTYPFTFRIIB-OAHLLOKOSA-N 0 0 428.522 0.570 20 30 ICEDRN C#CCN(c1nnc(-c2ccccn2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001539210940 1071571796 /nfs/dbraw/zinc/57/17/96/1071571796.db2.gz IHUBSVVWCFGRRG-INIZCTEOSA-N 0 0 428.518 0.493 20 30 ICEDRN C#CCN(c1nnc(-c2ccccn2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001539210944 1071571776 /nfs/dbraw/zinc/57/17/76/1071571776.db2.gz IHUBSVVWCFGRRG-MRXNPFEDSA-N 0 0 428.518 0.493 20 30 ICEDRN C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001539211004 1071572257 /nfs/dbraw/zinc/57/22/57/1071572257.db2.gz INSFJBWCNGBMJN-INIZCTEOSA-N 0 0 432.550 0.825 20 30 ICEDRN C#CCN(c1nnc(-c2cccn2C)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001539211006 1071572408 /nfs/dbraw/zinc/57/24/08/1071572408.db2.gz INSFJBWCNGBMJN-MRXNPFEDSA-N 0 0 432.550 0.825 20 30 ICEDRN C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCC=C)[C@H]1CCS(=O)(=O)C1 ZINC001539211142 1071572335 /nfs/dbraw/zinc/57/23/35/1071572335.db2.gz GWXDYIYHYZRYGI-HNNXBMFYSA-N 0 0 448.936 0.922 20 30 ICEDRN C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCC=C)[C@@H]1CCS(=O)(=O)C1 ZINC001539211143 1071572366 /nfs/dbraw/zinc/57/23/66/1071572366.db2.gz GWXDYIYHYZRYGI-OAHLLOKOSA-N 0 0 448.936 0.922 20 30 ICEDRN C#CCN(c1nnc(-c2cccn2C)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001539211681 1071572292 /nfs/dbraw/zinc/57/22/92/1071572292.db2.gz NFGDETVBTPLDOR-INIZCTEOSA-N 0 0 433.534 0.452 20 30 ICEDRN C#CCN(c1nnc(-c2cccn2C)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001539211684 1071572752 /nfs/dbraw/zinc/57/27/52/1071572752.db2.gz NFGDETVBTPLDOR-MRXNPFEDSA-N 0 0 433.534 0.452 20 30 ICEDRN C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001539211897 1071572873 /nfs/dbraw/zinc/57/28/73/1071572873.db2.gz QAERVQRZHOZWLX-FOIQADDNSA-N 0 0 428.518 0.445 20 30 ICEDRN C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC001539211901 1071572739 /nfs/dbraw/zinc/57/27/39/1071572739.db2.gz QAERVQRZHOZWLX-MGPUTAFESA-N 0 0 428.518 0.445 20 30 ICEDRN C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001539211903 1071572880 /nfs/dbraw/zinc/57/28/80/1071572880.db2.gz QAERVQRZHOZWLX-QRWLVFNGSA-N 0 0 428.518 0.445 20 30 ICEDRN C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC001539211904 1071572912 /nfs/dbraw/zinc/57/29/12/1071572912.db2.gz QAERVQRZHOZWLX-YWZLYKJASA-N 0 0 428.518 0.445 20 30 ICEDRN C#CCN(c1nnc(-c2ccccc2C)n1CCCn1cnnn1)[C@H]1CCS(=O)(=O)C1 ZINC001539212372 1071572837 /nfs/dbraw/zinc/57/28/37/1071572837.db2.gz VKQXGKHBSLTDET-KRWDZBQOSA-N 0 0 440.533 0.957 20 30 ICEDRN C#CCN(c1nnc(-c2ccccc2C)n1CCCn1cnnn1)[C@@H]1CCS(=O)(=O)C1 ZINC001539212376 1071572708 /nfs/dbraw/zinc/57/27/08/1071572708.db2.gz VKQXGKHBSLTDET-QGZVFWFLSA-N 0 0 440.533 0.957 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 ZINC001539212635 1071572765 /nfs/dbraw/zinc/57/27/65/1071572765.db2.gz WREHIECLNUPNEN-SFHVURJKSA-N 0 0 440.529 0.922 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 ZINC001539212823 1071572828 /nfs/dbraw/zinc/57/28/28/1071572828.db2.gz YBCWWBVYHHLYMZ-KRWDZBQOSA-N 0 0 447.542 0.488 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 ZINC001539212825 1071573412 /nfs/dbraw/zinc/57/34/12/1071573412.db2.gz YBCWWBVYHHLYMZ-QGZVFWFLSA-N 0 0 447.542 0.488 20 30 ICEDRN C#CCN(c1nnc(-c2cccn2C)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 ZINC001539212900 1071573332 /nfs/dbraw/zinc/57/33/32/1071573332.db2.gz YULQTQKRUHCAIR-BQJIDLTASA-N 0 0 447.561 0.840 20 30 ICEDRN C#CCN(c1nnc(-c2cccn2C)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001539212902 1071573611 /nfs/dbraw/zinc/57/36/11/1071573611.db2.gz YULQTQKRUHCAIR-ZGGTZUKQSA-N 0 0 447.561 0.840 20 30 ICEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001539215428 1071573550 /nfs/dbraw/zinc/57/35/50/1071573550.db2.gz BUEANLNYSLZXHD-APWZRJJASA-N 0 0 436.538 0.093 20 30 ICEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001539215429 1071573320 /nfs/dbraw/zinc/57/33/20/1071573320.db2.gz BUEANLNYSLZXHD-LPHOPBHVSA-N 0 0 436.538 0.093 20 30 ICEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 ZINC001539215430 1071573356 /nfs/dbraw/zinc/57/33/56/1071573356.db2.gz BUEANLNYSLZXHD-QFBILLFUSA-N 0 0 436.538 0.093 20 30 ICEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 ZINC001539215431 1071573540 /nfs/dbraw/zinc/57/35/40/1071573540.db2.gz BUEANLNYSLZXHD-VQIMIIECSA-N 0 0 436.538 0.093 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 ZINC001539215788 1071573428 /nfs/dbraw/zinc/57/34/28/1071573428.db2.gz JEUGNIBFFCDQHB-INIZCTEOSA-N 0 0 439.501 0.814 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 ZINC001539215789 1071573617 /nfs/dbraw/zinc/57/36/17/1071573617.db2.gz JEUGNIBFFCDQHB-MRXNPFEDSA-N 0 0 439.501 0.814 20 30 ICEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 ZINC001539215846 1071573366 /nfs/dbraw/zinc/57/33/66/1071573366.db2.gz KDZYTNDOBMVRTI-HNNXBMFYSA-N 0 0 442.492 0.977 20 30 ICEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001539215847 1071573496 /nfs/dbraw/zinc/57/34/96/1071573496.db2.gz KDZYTNDOBMVRTI-OAHLLOKOSA-N 0 0 442.492 0.977 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 ZINC001539215878 1071573565 /nfs/dbraw/zinc/57/35/65/1071573565.db2.gz KUFVAIZMTYBTMU-INIZCTEOSA-N 0 0 426.506 0.649 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 ZINC001539215879 1071573293 /nfs/dbraw/zinc/57/32/93/1071573293.db2.gz KUFVAIZMTYBTMU-MRXNPFEDSA-N 0 0 426.506 0.649 20 30 ICEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 ZINC001539215910 1071573346 /nfs/dbraw/zinc/57/33/46/1071573346.db2.gz LKDJEVDBPOVMSL-INIZCTEOSA-N 0 0 429.506 0.958 20 30 ICEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 ZINC001539215911 1071573952 /nfs/dbraw/zinc/57/39/52/1071573952.db2.gz LKDJEVDBPOVMSL-MRXNPFEDSA-N 0 0 429.506 0.958 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 ZINC001539215953 1071573932 /nfs/dbraw/zinc/57/39/32/1071573932.db2.gz LVXYKXIPGTZRRA-INIZCTEOSA-N 0 0 430.534 0.754 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 ZINC001539215954 1071573941 /nfs/dbraw/zinc/57/39/41/1071573941.db2.gz LVXYKXIPGTZRRA-MRXNPFEDSA-N 0 0 430.534 0.754 20 30 ICEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 ZINC001539215989 1071573859 /nfs/dbraw/zinc/57/38/59/1071573859.db2.gz MOCMFHVZKSLAGC-INIZCTEOSA-N 0 0 428.522 0.396 20 30 ICEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 ZINC001539215990 1071573843 /nfs/dbraw/zinc/57/38/43/1071573843.db2.gz MOCMFHVZKSLAGC-MRXNPFEDSA-N 0 0 428.522 0.396 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 ZINC001539216063 1071573853 /nfs/dbraw/zinc/57/38/53/1071573853.db2.gz NFNQQFQZRZVGKJ-IRXDYDNUSA-N 0 0 431.518 0.691 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC001539216066 1071573965 /nfs/dbraw/zinc/57/39/65/1071573965.db2.gz NFNQQFQZRZVGKJ-SJORKVTESA-N 0 0 431.518 0.691 20 30 ICEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 ZINC001539216089 1071573896 /nfs/dbraw/zinc/57/38/96/1071573896.db2.gz NNLMYTXIUGXRFR-KRWDZBQOSA-N 0 0 441.517 0.757 20 30 ICEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 ZINC001539216093 1071573881 /nfs/dbraw/zinc/57/38/81/1071573881.db2.gz NNLMYTXIUGXRFR-QGZVFWFLSA-N 0 0 441.517 0.757 20 30 ICEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001539216214 1071573908 /nfs/dbraw/zinc/57/39/08/1071573908.db2.gz PGJXWASJECFYHL-INIZCTEOSA-N 0 0 447.565 0.468 20 30 ICEDRN C#CCN(c1nnc(-c2cnn(C)c2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001539216215 1071573974 /nfs/dbraw/zinc/57/39/74/1071573974.db2.gz PGJXWASJECFYHL-MRXNPFEDSA-N 0 0 447.565 0.468 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001539216355 1071573862 /nfs/dbraw/zinc/57/38/62/1071573862.db2.gz QVBMEPFGMSDVQP-GMYLUUGSSA-N 0 0 434.547 0.273 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001539216359 1071573958 /nfs/dbraw/zinc/57/39/58/1071573958.db2.gz QVBMEPFGMSDVQP-HJFSHJIFSA-N 0 0 434.547 0.273 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001539216361 1071573948 /nfs/dbraw/zinc/57/39/48/1071573948.db2.gz QVBMEPFGMSDVQP-POXGOYDTSA-N 0 0 434.547 0.273 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001539216364 1071573912 /nfs/dbraw/zinc/57/39/12/1071573912.db2.gz QVBMEPFGMSDVQP-SUMNFNSASA-N 0 0 434.547 0.273 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C)n2)n1CCn1cncn1)[C@H]1CCS(=O)(=O)C1 ZINC001539216421 1071573969 /nfs/dbraw/zinc/57/39/69/1071573969.db2.gz RNMSWNXLCLICOG-INIZCTEOSA-N 0 0 426.506 0.567 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C)n2)n1CCn1cncn1)[C@@H]1CCS(=O)(=O)C1 ZINC001539216423 1071573875 /nfs/dbraw/zinc/57/38/75/1071573875.db2.gz RNMSWNXLCLICOG-MRXNPFEDSA-N 0 0 426.506 0.567 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 ZINC001539216466 1071573869 /nfs/dbraw/zinc/57/38/69/1071573869.db2.gz SIEZAOIHRQMEHQ-INIZCTEOSA-N 0 0 430.534 0.801 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C)n2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 ZINC001539216467 1071573923 /nfs/dbraw/zinc/57/39/23/1071573923.db2.gz SIEZAOIHRQMEHQ-MRXNPFEDSA-N 0 0 430.534 0.801 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001539216476 1071573917 /nfs/dbraw/zinc/57/39/17/1071573917.db2.gz SNVROGPPVPNWLU-DLBZAZTESA-N 0 0 445.549 0.083 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001539216477 1071574390 /nfs/dbraw/zinc/57/43/90/1071574390.db2.gz SNVROGPPVPNWLU-IAGOWNOFSA-N 0 0 445.549 0.083 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001539216478 1071574531 /nfs/dbraw/zinc/57/45/31/1071574531.db2.gz SNVROGPPVPNWLU-IRXDYDNUSA-N 0 0 445.549 0.083 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001539216479 1071574461 /nfs/dbraw/zinc/57/44/61/1071574461.db2.gz SNVROGPPVPNWLU-SJORKVTESA-N 0 0 445.549 0.083 20 30 ICEDRN C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC001539216520 1071574519 /nfs/dbraw/zinc/57/45/19/1071574519.db2.gz TYEMHCYQCLRMFX-KRWDZBQOSA-N 0 0 428.518 0.493 20 30 ICEDRN C#CCN(c1nnc(-c2cccnc2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001539216521 1071574354 /nfs/dbraw/zinc/57/43/54/1071574354.db2.gz TYEMHCYQCLRMFX-QGZVFWFLSA-N 0 0 428.518 0.493 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCCCO)[C@H]1CCS(=O)(=O)C1 ZINC001539216522 1071574452 /nfs/dbraw/zinc/57/44/52/1071574452.db2.gz UANZDQKCUZAWEK-KRWDZBQOSA-N 0 0 433.534 0.674 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCCCO)[C@@H]1CCS(=O)(=O)C1 ZINC001539216523 1071574556 /nfs/dbraw/zinc/57/45/56/1071574556.db2.gz UANZDQKCUZAWEK-QGZVFWFLSA-N 0 0 433.534 0.674 20 30 ICEDRN C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC001539216702 1071574479 /nfs/dbraw/zinc/57/44/79/1071574479.db2.gz WCOYDGPYJHWPSF-GFCCVEGCSA-N 0 0 444.439 0.578 20 30 ICEDRN C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=O)NCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC001539216703 1071574381 /nfs/dbraw/zinc/57/43/81/1071574381.db2.gz WCOYDGPYJHWPSF-LBPRGKRZSA-N 0 0 444.439 0.578 20 30 ICEDRN C#CCN(c1nnc(C2CC2)n1CCS(=O)(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001539216796 1071574513 /nfs/dbraw/zinc/57/45/13/1071574513.db2.gz XHRQVMOMSZACFU-HNNXBMFYSA-N 0 0 429.568 0.110 20 30 ICEDRN C#CCN(c1nnc(C2CC2)n1CCS(=O)(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001539216797 1071574368 /nfs/dbraw/zinc/57/43/68/1071574368.db2.gz XHRQVMOMSZACFU-OAHLLOKOSA-N 0 0 429.568 0.110 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 ZINC001539216802 1071574427 /nfs/dbraw/zinc/57/44/27/1071574427.db2.gz XKPWOSFEBDRRFP-INIZCTEOSA-N 0 0 440.533 0.944 20 30 ICEDRN C#CCN(c1nnc(-c2cccc(C)n2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 ZINC001539216803 1071574539 /nfs/dbraw/zinc/57/45/39/1071574539.db2.gz XKPWOSFEBDRRFP-MRXNPFEDSA-N 0 0 440.533 0.944 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001539216851 1071574486 /nfs/dbraw/zinc/57/44/86/1071574486.db2.gz XRJHRYUGIDLFTC-HNNXBMFYSA-N 0 0 431.522 0.277 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001539216855 1071574526 /nfs/dbraw/zinc/57/45/26/1071574526.db2.gz XRJHRYUGIDLFTC-OAHLLOKOSA-N 0 0 431.522 0.277 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 ZINC001539216869 1071574503 /nfs/dbraw/zinc/57/45/03/1071574503.db2.gz XVRSBHKGEBGFSI-INIZCTEOSA-N 0 0 440.533 0.760 20 30 ICEDRN C#CCN(c1nnc(-c2cnccn2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC001539216871 1071574415 /nfs/dbraw/zinc/57/44/15/1071574415.db2.gz XVRSBHKGEBGFSI-MRXNPFEDSA-N 0 0 440.533 0.760 20 30 ICEDRN C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001539218998 1071574491 /nfs/dbraw/zinc/57/44/91/1071574491.db2.gz AZSCXLYFYJBPJM-DLBZAZTESA-N 0 0 438.550 0.688 20 30 ICEDRN C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001539218999 1071574405 /nfs/dbraw/zinc/57/44/05/1071574405.db2.gz AZSCXLYFYJBPJM-IAGOWNOFSA-N 0 0 438.550 0.688 20 30 ICEDRN C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001539219000 1071574468 /nfs/dbraw/zinc/57/44/68/1071574468.db2.gz AZSCXLYFYJBPJM-IRXDYDNUSA-N 0 0 438.550 0.688 20 30 ICEDRN C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001539219001 1071575036 /nfs/dbraw/zinc/57/50/36/1071575036.db2.gz AZSCXLYFYJBPJM-SJORKVTESA-N 0 0 438.550 0.688 20 30 ICEDRN C#CCN(c1nnc(CC)n1Cc1cccc(N2CCOCC2)n1)[C@@H]1CCS(=O)(=O)C1 ZINC001539219220 1071575005 /nfs/dbraw/zinc/57/50/05/1071575005.db2.gz HDMVVLPNGQUWGB-GOSISDBHSA-N 0 0 444.561 0.747 20 30 ICEDRN C#CCN(c1nnc(CC)n1Cc1cccc(N2CCOCC2)n1)[C@H]1CCS(=O)(=O)C1 ZINC001539219222 1071574952 /nfs/dbraw/zinc/57/49/52/1071574952.db2.gz HDMVVLPNGQUWGB-SFHVURJKSA-N 0 0 444.561 0.747 20 30 ICEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC001539219349 1071575023 /nfs/dbraw/zinc/57/50/23/1071575023.db2.gz BYJDNXCWTSABQB-DZGCQCFKSA-N 0 0 434.547 0.669 20 30 ICEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC001539219350 1071574997 /nfs/dbraw/zinc/57/49/97/1071574997.db2.gz BYJDNXCWTSABQB-HIFRSBDPSA-N 0 0 434.547 0.669 20 30 ICEDRN C#CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 ZINC001539219351 1071574898 /nfs/dbraw/zinc/57/48/98/1071574898.db2.gz BYJDNXCWTSABQB-UKRRQHHQSA-N 0 0 434.547 0.669 20 30 ICEDRN C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 ZINC001539219352 1071574943 /nfs/dbraw/zinc/57/49/43/1071574943.db2.gz BYJDNXCWTSABQB-ZFWWWQNUSA-N 0 0 434.547 0.669 20 30 ICEDRN C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001539219537 1071574983 /nfs/dbraw/zinc/57/49/83/1071574983.db2.gz DGTFECVACHWDKR-MSOLQXFVSA-N 0 0 448.570 0.855 20 30 ICEDRN C#CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001539219539 1071574885 /nfs/dbraw/zinc/57/48/85/1071574885.db2.gz DGTFECVACHWDKR-QZTJIDSGSA-N 0 0 448.570 0.855 20 30 ICEDRN C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001539219541 1071575031 /nfs/dbraw/zinc/57/50/31/1071575031.db2.gz DGTFECVACHWDKR-ROUUACIJSA-N 0 0 448.570 0.855 20 30 ICEDRN C#CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001539219543 1071574929 /nfs/dbraw/zinc/57/49/29/1071574929.db2.gz DGTFECVACHWDKR-ZWKOTPCHSA-N 0 0 448.570 0.855 20 30 ICEDRN C#CCN(c1nnc(CC(C)C)n1CCC(=O)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 ZINC001539219931 1071574973 /nfs/dbraw/zinc/57/49/73/1071574973.db2.gz OPJPRTUYNMGMPO-KRWDZBQOSA-N 0 0 437.566 0.352 20 30 ICEDRN 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C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 ZINC001539265419 1071580143 /nfs/dbraw/zinc/58/01/43/1071580143.db2.gz FWNVWVFXXPEUJV-IRXDYDNUSA-N 0 0 437.591 0.827 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 ZINC001539265420 1071580270 /nfs/dbraw/zinc/58/02/70/1071580270.db2.gz FWNVWVFXXPEUJV-SJORKVTESA-N 0 0 437.591 0.827 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC ZINC001539265509 1071580215 /nfs/dbraw/zinc/58/02/15/1071580215.db2.gz HCNOANOJRHYKTO-INIZCTEOSA-N 0 0 425.580 0.827 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC ZINC001539265510 1071580171 /nfs/dbraw/zinc/58/01/71/1071580171.db2.gz HCNOANOJRHYKTO-MRXNPFEDSA-N 0 0 425.580 0.827 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O ZINC001539265650 1071580290 /nfs/dbraw/zinc/58/02/90/1071580290.db2.gz IIAITRRLYIYLKF-IBGZPJMESA-N 0 0 441.513 0.899 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O ZINC001539265651 1071580256 /nfs/dbraw/zinc/58/02/56/1071580256.db2.gz IIAITRRLYIYLKF-LJQANCHMSA-N 0 0 441.513 0.899 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C ZINC001539266130 1071580158 /nfs/dbraw/zinc/58/01/58/1071580158.db2.gz MHMFOGXCGZWKNF-KRWDZBQOSA-N 0 0 440.508 0.836 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C ZINC001539266131 1071580264 /nfs/dbraw/zinc/58/02/64/1071580264.db2.gz MHMFOGXCGZWKNF-QGZVFWFLSA-N 0 0 440.508 0.836 20 30 ICEDRN C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O ZINC001539266163 1071580636 /nfs/dbraw/zinc/58/06/36/1071580636.db2.gz MRTOKDNGQXFYBN-UHFFFAOYSA-N 0 0 427.534 0.570 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]nc1C ZINC001539266360 1071580606 /nfs/dbraw/zinc/58/06/06/1071580606.db2.gz OXSXPKLXCZNUSP-GOSISDBHSA-N 0 0 445.549 0.348 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1c[nH]nc1C ZINC001539266361 1071580745 /nfs/dbraw/zinc/58/07/45/1071580745.db2.gz OXSXPKLXCZNUSP-SFHVURJKSA-N 0 0 445.549 0.348 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 ZINC001539266399 1071580700 /nfs/dbraw/zinc/58/07/00/1071580700.db2.gz PWWXPIRDPVFGQC-KRWDZBQOSA-N 0 0 435.550 0.501 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 ZINC001539266400 1071580780 /nfs/dbraw/zinc/58/07/80/1071580780.db2.gz PWWXPIRDPVFGQC-QGZVFWFLSA-N 0 0 435.550 0.501 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCO[C@@H](C)C1 ZINC001539266811 1071580733 /nfs/dbraw/zinc/58/07/33/1071580733.db2.gz SNPXIXQDYPKJFA-FHWLQOOXSA-N 0 0 449.577 0.889 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@@H](C)C1 ZINC001539266812 1071580784 /nfs/dbraw/zinc/58/07/84/1071580784.db2.gz SNPXIXQDYPKJFA-OTWHNJEPSA-N 0 0 449.577 0.889 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCO[C@H](C)C1 ZINC001539266814 1071580687 /nfs/dbraw/zinc/58/06/87/1071580687.db2.gz SNPXIXQDYPKJFA-QRVBRYPASA-N 0 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20 30 ICEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 ZINC001539266933 1071580755 /nfs/dbraw/zinc/58/07/55/1071580755.db2.gz VQAVJHNLOCLPPB-GOSISDBHSA-N 0 0 449.577 0.891 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCOCC1 ZINC001539266935 1071580660 /nfs/dbraw/zinc/58/06/60/1071580660.db2.gz VQAVJHNLOCLPPB-SFHVURJKSA-N 0 0 449.577 0.891 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC ZINC001539267084 1071580672 /nfs/dbraw/zinc/58/06/72/1071580672.db2.gz WGALSDIYROSSNQ-KRWDZBQOSA-N 0 0 444.517 0.136 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccnc1OC ZINC001539267091 1071580773 /nfs/dbraw/zinc/58/07/73/1071580773.db2.gz WGALSDIYROSSNQ-QGZVFWFLSA-N 0 0 444.517 0.136 20 30 ICEDRN C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)onc1CC ZINC001539267096 1071580794 /nfs/dbraw/zinc/58/07/94/1071580794.db2.gz WIGXZIPYMBGEFR-GOSISDBHSA-N 0 0 446.533 0.591 20 30 ICEDRN 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RLHQPBIEIKTQNV-UHFFFAOYSA-N 0 0 442.545 0.769 20 30 ICEDRN C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCn1cc(CO)nn1 ZINC001539291747 1071581863 /nfs/dbraw/zinc/58/18/63/1071581863.db2.gz XGCMOFAQGFNHHM-UHFFFAOYSA-N 0 0 433.476 0.562 20 30 ICEDRN C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 ZINC001539291973 1071582245 /nfs/dbraw/zinc/58/22/45/1071582245.db2.gz YVQGHIYKTWPSDP-UHFFFAOYSA-N 0 0 445.527 0.966 20 30 ICEDRN C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)OC(C)(C)C ZINC001539295762 1071582239 /nfs/dbraw/zinc/58/22/39/1071582239.db2.gz FPSDZPHFWVXZMK-HNNXBMFYSA-N 0 0 438.554 0.876 20 30 ICEDRN C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)OC(C)(C)C ZINC001539295763 1071582283 /nfs/dbraw/zinc/58/22/83/1071582283.db2.gz FPSDZPHFWVXZMK-OAHLLOKOSA-N 0 0 438.554 0.876 20 30 ICEDRN C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCOCC1 ZINC001539296890 1071582214 /nfs/dbraw/zinc/58/22/14/1071582214.db2.gz VQWOJVHGZQCJHZ-MSOLQXFVSA-N 0 0 436.582 0.320 20 30 ICEDRN 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C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1noc(CC)n1 ZINC001539369338 1071585042 /nfs/dbraw/zinc/58/50/42/1071585042.db2.gz JVXSVOCAFWDIDX-CQSZACIVSA-N 0 0 437.526 0.259 20 30 ICEDRN C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)NC ZINC001539369343 1071585141 /nfs/dbraw/zinc/58/51/41/1071585141.db2.gz KAJOWJZRLFFECP-UHFFFAOYSA-N 0 0 432.554 0.461 20 30 ICEDRN C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F ZINC001539369345 1071585034 /nfs/dbraw/zinc/58/50/34/1071585034.db2.gz KHLUVEWMYJCBFL-CYBMUJFWSA-N 0 0 443.480 0.710 20 30 ICEDRN C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccn1C(F)F ZINC001539369346 1071585123 /nfs/dbraw/zinc/58/51/23/1071585123.db2.gz KHLUVEWMYJCBFL-ZDUSSCGKSA-N 0 0 443.480 0.710 20 30 ICEDRN C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 ZINC001539369478 1071585053 /nfs/dbraw/zinc/58/50/53/1071585053.db2.gz LTHOSICZISKCIL-CABCVRRESA-N 0 0 445.636 0.919 20 30 ICEDRN C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 ZINC001539369482 1071585105 /nfs/dbraw/zinc/58/51/05/1071585105.db2.gz LTHOSICZISKCIL-GJZGRUSLSA-N 0 0 445.636 0.919 20 30 ICEDRN C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CSCCS1 ZINC001539369484 1071585196 /nfs/dbraw/zinc/58/51/96/1071585196.db2.gz LTHOSICZISKCIL-HUUCEWRRSA-N 0 0 445.636 0.919 20 30 ICEDRN C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CSCCS1 ZINC001539369486 1071585648 /nfs/dbraw/zinc/58/56/48/1071585648.db2.gz LTHOSICZISKCIL-LSDHHAIUSA-N 0 0 445.636 0.919 20 30 ICEDRN C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OCCOC)CCOCC1 ZINC001539369950 1071585624 /nfs/dbraw/zinc/58/56/24/1071585624.db2.gz QIJVANVKHPDGTB-KRWDZBQOSA-N 0 0 440.566 0.852 20 30 ICEDRN C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OCCOC)CCOCC1 ZINC001539369951 1071585652 /nfs/dbraw/zinc/58/56/52/1071585652.db2.gz QIJVANVKHPDGTB-QGZVFWFLSA-N 0 0 440.566 0.852 20 30 ICEDRN C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)C(C)C ZINC001539370288 1071585637 /nfs/dbraw/zinc/58/56/37/1071585637.db2.gz UFGCISPCOAGEHH-INIZCTEOSA-N 0 0 440.570 0.233 20 30 ICEDRN C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCNC(=O)C(C)C ZINC001539370289 1071585597 /nfs/dbraw/zinc/58/55/97/1071585597.db2.gz UFGCISPCOAGEHH-MRXNPFEDSA-N 0 0 440.570 0.233 20 30 ICEDRN C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001539370561 1071585568 /nfs/dbraw/zinc/58/55/68/1071585568.db2.gz XJDICYWVCONKQJ-CABCVRRESA-N 0 0 449.499 0.903 20 30 ICEDRN C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](N1CCOCC1)C(F)(F)F ZINC001539370563 1071585656 /nfs/dbraw/zinc/58/56/56/1071585656.db2.gz XJDICYWVCONKQJ-GJZGRUSLSA-N 0 0 449.499 0.903 20 30 ICEDRN C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001539370565 1071585634 /nfs/dbraw/zinc/58/56/34/1071585634.db2.gz XJDICYWVCONKQJ-HUUCEWRRSA-N 0 0 449.499 0.903 20 30 ICEDRN C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F ZINC001539370567 1071585642 /nfs/dbraw/zinc/58/56/42/1071585642.db2.gz XJDICYWVCONKQJ-LSDHHAIUSA-N 0 0 449.499 0.903 20 30 ICEDRN C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccn[nH]1 ZINC001539378208 1071586139 /nfs/dbraw/zinc/58/61/39/1071586139.db2.gz UQWHQADWYIGUFK-UHFFFAOYSA-N 0 0 426.506 0.882 20 30 ICEDRN Cn1cc([C@@H]2[C@@H](C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001539378989 1071585991 /nfs/dbraw/zinc/58/59/91/1071585991.db2.gz IHGQIEWKGAJPKR-MTQWCTHYSA-N 0 0 440.479 0.458 20 30 ICEDRN Cn1cc([C@@H]2[C@@H](C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001539378990 1071586029 /nfs/dbraw/zinc/58/60/29/1071586029.db2.gz IHGQIEWKGAJPKR-UAFMIMERSA-N 0 0 440.479 0.458 20 30 ICEDRN C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCS(=O)(=O)CC1 ZINC001539383836 1071586149 /nfs/dbraw/zinc/58/61/49/1071586149.db2.gz LZMVRMYVMTUUPQ-HOTGVXAUSA-N 0 0 426.539 0.401 20 30 ICEDRN C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnnn1C ZINC001539384684 1071586083 /nfs/dbraw/zinc/58/60/83/1071586083.db2.gz LWUFVQGTTNPWHT-AWEZNQCLSA-N 0 0 446.512 0.844 20 30 ICEDRN C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnnn1C ZINC001539384685 1071586176 /nfs/dbraw/zinc/58/61/76/1071586176.db2.gz LWUFVQGTTNPWHT-CQSZACIVSA-N 0 0 446.512 0.844 20 30 ICEDRN CN1CCn2nc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cc2S1(=O)=O ZINC001539385736 1071586623 /nfs/dbraw/zinc/58/66/23/1071586623.db2.gz FCRYEQJQVVPOQE-KRWDZBQOSA-N 0 0 432.481 0.679 20 30 ICEDRN CN1CCn2nc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cc2S1(=O)=O ZINC001539385737 1071586507 /nfs/dbraw/zinc/58/65/07/1071586507.db2.gz FCRYEQJQVVPOQE-QGZVFWFLSA-N 0 0 432.481 0.679 20 30 ICEDRN C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 ZINC001539399463 1071587007 /nfs/dbraw/zinc/58/70/07/1071587007.db2.gz MITWEYWZDUJGQO-MRXNPFEDSA-N 0 0 431.518 0.713 20 30 ICEDRN C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCCS1(=O)=O ZINC001539405762 1071587125 /nfs/dbraw/zinc/58/71/25/1071587125.db2.gz KYFCQSRPJHHYMX-UHFFFAOYSA-N 0 0 447.517 0.795 20 30 ICEDRN C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC(=O)N1 ZINC001539408765 1071587068 /nfs/dbraw/zinc/58/70/68/1071587068.db2.gz BZRVCOGRFRKFJQ-OAHLLOKOSA-N 0 0 445.549 0.603 20 30 ICEDRN C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001539408867 1071587594 /nfs/dbraw/zinc/58/75/94/1071587594.db2.gz GFUXTRMUXOZOTH-UHFFFAOYSA-N 0 0 433.534 0.674 20 30 ICEDRN C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1C[C@H]1CCC(=O)N1 ZINC001539409163 1071587620 /nfs/dbraw/zinc/58/76/20/1071587620.db2.gz QINPTHUZOZQVEG-OAHLLOKOSA-N 0 0 435.488 0.557 20 30 ICEDRN C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C ZINC001539409283 1071587578 /nfs/dbraw/zinc/58/75/78/1071587578.db2.gz VKGNKQXARQCTRF-UHFFFAOYSA-N 0 0 447.565 0.803 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001539413533 1071587538 /nfs/dbraw/zinc/58/75/38/1071587538.db2.gz LYAFVIMPOBPIRG-DLBZAZTESA-N 0 0 425.555 0.887 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001539413534 1071587545 /nfs/dbraw/zinc/58/75/45/1071587545.db2.gz LYAFVIMPOBPIRG-IAGOWNOFSA-N 0 0 425.555 0.887 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001539413535 1071587626 /nfs/dbraw/zinc/58/76/26/1071587626.db2.gz LYAFVIMPOBPIRG-IRXDYDNUSA-N 0 0 425.555 0.887 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001539413536 1071587601 /nfs/dbraw/zinc/58/76/01/1071587601.db2.gz LYAFVIMPOBPIRG-SJORKVTESA-N 0 0 425.555 0.887 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 ZINC001539414271 1071587587 /nfs/dbraw/zinc/58/75/87/1071587587.db2.gz TYFAYUPWZWTPBL-AWEZNQCLSA-N 0 0 436.314 0.974 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 ZINC001539414272 1071587624 /nfs/dbraw/zinc/58/76/24/1071587624.db2.gz TYFAYUPWZWTPBL-CQSZACIVSA-N 0 0 436.314 0.974 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 ZINC001539415232 1071587511 /nfs/dbraw/zinc/58/75/11/1071587511.db2.gz BODRCTOSYHZSTB-AWEZNQCLSA-N 0 0 426.930 0.816 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 ZINC001539415233 1071587606 /nfs/dbraw/zinc/58/76/06/1071587606.db2.gz BODRCTOSYHZSTB-CQSZACIVSA-N 0 0 426.930 0.816 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 ZINC001539415236 1071587560 /nfs/dbraw/zinc/58/75/60/1071587560.db2.gz BPMPDBUVBPNVKE-HNNXBMFYSA-N 0 0 447.508 0.742 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 ZINC001539415237 1071587632 /nfs/dbraw/zinc/58/76/32/1071587632.db2.gz BPMPDBUVBPNVKE-OAHLLOKOSA-N 0 0 447.508 0.742 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 ZINC001539415330 1071587636 /nfs/dbraw/zinc/58/76/36/1071587636.db2.gz CQBXDFCEUJIGIC-BRWVUGGUSA-N 0 0 443.545 0.835 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 ZINC001539415337 1071587642 /nfs/dbraw/zinc/58/76/42/1071587642.db2.gz CQBXDFCEUJIGIC-ULQDDVLXSA-N 0 0 443.545 0.835 20 30 ICEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(S(C)(=O)=O)CC3)C2)C1 ZINC001539415418 1071587518 /nfs/dbraw/zinc/58/75/18/1071587518.db2.gz CLOFOKHGPBKUMU-HVEKOLDVSA-N 0 0 426.539 0.877 20 30 ICEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(S(C)(=O)=O)CC3)C2)C1 ZINC001539415419 1071587902 /nfs/dbraw/zinc/58/79/02/1071587902.db2.gz CLOFOKHGPBKUMU-XAUUPUKJSA-N 0 0 426.539 0.877 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 ZINC001539415892 1071587911 /nfs/dbraw/zinc/58/79/11/1071587911.db2.gz HNFXVSWKVYLRPE-KRWDZBQOSA-N 0 0 425.555 0.887 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 ZINC001539415894 1071587991 /nfs/dbraw/zinc/58/79/91/1071587991.db2.gz HNFXVSWKVYLRPE-QGZVFWFLSA-N 0 0 425.555 0.887 20 30 ICEDRN C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 ZINC001539415956 1071588013 /nfs/dbraw/zinc/58/80/13/1071588013.db2.gz IQSJWOXULZIHJW-GOSISDBHSA-N 0 0 445.545 0.674 20 30 ICEDRN 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C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 ZINC001539498342 1071600052 /nfs/dbraw/zinc/60/00/52/1071600052.db2.gz SMFSVYYEFYRMAG-CYBMUJFWSA-N 0 0 428.584 0.360 20 30 ICEDRN C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 ZINC001539498343 1071600115 /nfs/dbraw/zinc/60/01/15/1071600115.db2.gz SMFSVYYEFYRMAG-ZDUSSCGKSA-N 0 0 428.584 0.360 20 30 ICEDRN C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001539504550 1071600664 /nfs/dbraw/zinc/60/06/64/1071600664.db2.gz JYMNEHMFMDFEPZ-INIZCTEOSA-N 0 0 437.533 0.989 20 30 ICEDRN C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001539504551 1071600524 /nfs/dbraw/zinc/60/05/24/1071600524.db2.gz JYMNEHMFMDFEPZ-MRXNPFEDSA-N 0 0 437.533 0.989 20 30 ICEDRN C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@H](C(N)=O)C1 ZINC001539510135 1071600687 /nfs/dbraw/zinc/60/06/87/1071600687.db2.gz FJBQOOUPVHJDKU-AWEZNQCLSA-N 0 0 437.529 0.870 20 30 ICEDRN C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001539510138 1071600733 /nfs/dbraw/zinc/60/07/33/1071600733.db2.gz FJBQOOUPVHJDKU-CQSZACIVSA-N 0 0 437.529 0.870 20 30 ICEDRN C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001539512414 1071601134 /nfs/dbraw/zinc/60/11/34/1071601134.db2.gz CXXJWBFHEJOASD-KRWDZBQOSA-N 0 0 427.534 0.929 20 30 ICEDRN C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001539512424 1071601211 /nfs/dbraw/zinc/60/12/11/1071601211.db2.gz CXXJWBFHEJOASD-QGZVFWFLSA-N 0 0 427.534 0.929 20 30 ICEDRN C#CCSCCn1c(C2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001539512875 1071601083 /nfs/dbraw/zinc/60/10/83/1071601083.db2.gz GOFUFZPPQFWHTR-UHFFFAOYSA-N 0 0 429.554 0.637 20 30 ICEDRN C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001539512880 1071601232 /nfs/dbraw/zinc/60/12/32/1071601232.db2.gz GTNVILQISFRXJD-HNNXBMFYSA-N 0 0 440.595 0.456 20 30 ICEDRN C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001539512883 1071601191 /nfs/dbraw/zinc/60/11/91/1071601191.db2.gz GTNVILQISFRXJD-OAHLLOKOSA-N 0 0 440.595 0.456 20 30 ICEDRN C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 ZINC001539513449 1071601242 /nfs/dbraw/zinc/60/12/42/1071601242.db2.gz PBZCGSRNSCBQTH-UHFFFAOYSA-N 0 0 442.593 0.789 20 30 ICEDRN C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001539514482 1071601229 /nfs/dbraw/zinc/60/12/29/1071601229.db2.gz QPGPFCPYMJWYMR-JLTOFOAXSA-N 0 0 445.549 0.410 20 30 ICEDRN C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC001539514483 1071601171 /nfs/dbraw/zinc/60/11/71/1071601171.db2.gz QPGPFCPYMJWYMR-VBKZILBWSA-N 0 0 445.549 0.410 20 30 ICEDRN C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001539514484 1071601121 /nfs/dbraw/zinc/60/11/21/1071601121.db2.gz QPGPFCPYMJWYMR-VLIAUNLRSA-N 0 0 445.549 0.410 20 30 ICEDRN C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC001539514485 1071601240 /nfs/dbraw/zinc/60/12/40/1071601240.db2.gz QPGPFCPYMJWYMR-XOBRGWDASA-N 0 0 445.549 0.410 20 30 ICEDRN C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001539516711 1071601219 /nfs/dbraw/zinc/60/12/19/1071601219.db2.gz AVJNTGFJYUNFLI-KRWDZBQOSA-N 0 0 446.577 0.419 20 30 ICEDRN C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001539516712 1071601237 /nfs/dbraw/zinc/60/12/37/1071601237.db2.gz AVJNTGFJYUNFLI-QGZVFWFLSA-N 0 0 446.577 0.419 20 30 ICEDRN C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001539516805 1071601146 /nfs/dbraw/zinc/60/11/46/1071601146.db2.gz DKABSQNCGATXII-DLBZAZTESA-N 0 0 439.607 0.899 20 30 ICEDRN C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001539516806 1071601112 /nfs/dbraw/zinc/60/11/12/1071601112.db2.gz DKABSQNCGATXII-IAGOWNOFSA-N 0 0 439.607 0.899 20 30 ICEDRN C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 ZINC001539516807 1071601225 /nfs/dbraw/zinc/60/12/25/1071601225.db2.gz DKABSQNCGATXII-IRXDYDNUSA-N 0 0 439.607 0.899 20 30 ICEDRN C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 ZINC001539516808 1071601157 /nfs/dbraw/zinc/60/11/57/1071601157.db2.gz DKABSQNCGATXII-SJORKVTESA-N 0 0 439.607 0.899 20 30 ICEDRN C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC#C)CC#CC ZINC001539516813 1071601183 /nfs/dbraw/zinc/60/11/83/1071601183.db2.gz DLCYRBCUGPOZSQ-KRWDZBQOSA-N 0 0 435.575 0.440 20 30 ICEDRN C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC#C)CC#CC ZINC001539516814 1071601200 /nfs/dbraw/zinc/60/12/00/1071601200.db2.gz DLCYRBCUGPOZSQ-QGZVFWFLSA-N 0 0 435.575 0.440 20 30 ICEDRN C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 ZINC001539516938 1071601206 /nfs/dbraw/zinc/60/12/06/1071601206.db2.gz GKISTQCZZKOHJA-CABCVRRESA-N 0 0 445.636 0.919 20 30 ICEDRN C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 ZINC001539516941 1071601663 /nfs/dbraw/zinc/60/16/63/1071601663.db2.gz GKISTQCZZKOHJA-GJZGRUSLSA-N 0 0 445.636 0.919 20 30 ICEDRN C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 ZINC001539516943 1071601828 /nfs/dbraw/zinc/60/18/28/1071601828.db2.gz GKISTQCZZKOHJA-HUUCEWRRSA-N 0 0 445.636 0.919 20 30 ICEDRN C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 ZINC001539516945 1071601764 /nfs/dbraw/zinc/60/17/64/1071601764.db2.gz GKISTQCZZKOHJA-LSDHHAIUSA-N 0 0 445.636 0.919 20 30 ICEDRN C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 ZINC001539517082 1071601834 /nfs/dbraw/zinc/60/18/34/1071601834.db2.gz IGILWRVBEJZKBR-INIZCTEOSA-N 0 0 439.607 0.995 20 30 ICEDRN C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 ZINC001539517083 1071601706 /nfs/dbraw/zinc/60/17/06/1071601706.db2.gz IGILWRVBEJZKBR-MRXNPFEDSA-N 0 0 439.607 0.995 20 30 ICEDRN C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001539517156 1071601694 /nfs/dbraw/zinc/60/16/94/1071601694.db2.gz JIOWGWARBGDVHV-DLBZAZTESA-N 0 0 432.594 0.938 20 30 ICEDRN C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001539517157 1071601778 /nfs/dbraw/zinc/60/17/78/1071601778.db2.gz JIOWGWARBGDVHV-IAGOWNOFSA-N 0 0 432.594 0.938 20 30 ICEDRN C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC001539517158 1071601718 /nfs/dbraw/zinc/60/17/18/1071601718.db2.gz JIOWGWARBGDVHV-IRXDYDNUSA-N 0 0 432.594 0.938 20 30 ICEDRN C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC001539517159 1071601842 /nfs/dbraw/zinc/60/18/42/1071601842.db2.gz JIOWGWARBGDVHV-SJORKVTESA-N 0 0 432.594 0.938 20 30 ICEDRN C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001539517290 1071601647 /nfs/dbraw/zinc/60/16/47/1071601647.db2.gz LINUFPQCOSRNCS-AWEZNQCLSA-N 0 0 448.574 0.203 20 30 ICEDRN C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001539517291 1071601799 /nfs/dbraw/zinc/60/17/99/1071601799.db2.gz LINUFPQCOSRNCS-CQSZACIVSA-N 0 0 448.574 0.203 20 30 ICEDRN C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001539517953 1071601791 /nfs/dbraw/zinc/60/17/91/1071601791.db2.gz ULLLTYOCIMVNJG-CABCVRRESA-N 0 0 446.620 0.560 20 30 ICEDRN C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001539517954 1071601818 /nfs/dbraw/zinc/60/18/18/1071601818.db2.gz ULLLTYOCIMVNJG-GJZGRUSLSA-N 0 0 446.620 0.560 20 30 ICEDRN C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001539517955 1071601615 /nfs/dbraw/zinc/60/16/15/1071601615.db2.gz ULLLTYOCIMVNJG-HUUCEWRRSA-N 0 0 446.620 0.560 20 30 ICEDRN C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001539517956 1071601771 /nfs/dbraw/zinc/60/17/71/1071601771.db2.gz ULLLTYOCIMVNJG-LSDHHAIUSA-N 0 0 446.620 0.560 20 30 ICEDRN C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 ZINC001539517966 1071601807 /nfs/dbraw/zinc/60/18/07/1071601807.db2.gz UPHMCVMBPAWOHG-HNNXBMFYSA-N 0 0 425.580 0.638 20 30 ICEDRN C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 ZINC001539517967 1071602274 /nfs/dbraw/zinc/60/22/74/1071602274.db2.gz UPHMCVMBPAWOHG-OAHLLOKOSA-N 0 0 425.580 0.638 20 30 ICEDRN C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N ZINC001539518196 1071602232 /nfs/dbraw/zinc/60/22/32/1071602232.db2.gz WOBNTNNYGWFRHG-CABCVRRESA-N 0 0 426.568 0.716 20 30 ICEDRN C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N ZINC001539518200 1071602185 /nfs/dbraw/zinc/60/21/85/1071602185.db2.gz WOBNTNNYGWFRHG-GJZGRUSLSA-N 0 0 426.568 0.716 20 30 ICEDRN C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N ZINC001539518202 1071602285 /nfs/dbraw/zinc/60/22/85/1071602285.db2.gz WOBNTNNYGWFRHG-HUUCEWRRSA-N 0 0 426.568 0.716 20 30 ICEDRN C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N ZINC001539518204 1071602223 /nfs/dbraw/zinc/60/22/23/1071602223.db2.gz WOBNTNNYGWFRHG-LSDHHAIUSA-N 0 0 426.568 0.716 20 30 ICEDRN C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)C1 ZINC001539518358 1071602218 /nfs/dbraw/zinc/60/22/18/1071602218.db2.gz YOLGOMMJIWKCNT-UHFFFAOYSA-N 0 0 426.550 0.755 20 30 ICEDRN C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 ZINC001539519091 1071602256 /nfs/dbraw/zinc/60/22/56/1071602256.db2.gz ATOSRNYQJBPISX-UHFFFAOYSA-N 0 0 427.578 0.888 20 30 ICEDRN C#CCSCCn1c(CC(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC001539520053 1071602260 /nfs/dbraw/zinc/60/22/60/1071602260.db2.gz NQMFTWOVQVPMRC-UHFFFAOYSA-N 0 0 446.581 0.310 20 30 ICEDRN C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnccn2)CC1 ZINC001539526629 1071602807 /nfs/dbraw/zinc/60/28/07/1071602807.db2.gz RBUMVBDJCYQORE-UHFFFAOYSA-N 0 0 426.550 0.884 20 30 ICEDRN C#CCSCCn1c(Nc2ccn(C)n2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 ZINC001539530046 1071602798 /nfs/dbraw/zinc/60/27/98/1071602798.db2.gz AGWLEOURGMXOCI-CYBMUJFWSA-N 0 0 425.540 0.455 20 30 ICEDRN C#CCSCCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 ZINC001539530047 1071602898 /nfs/dbraw/zinc/60/28/98/1071602898.db2.gz AGWLEOURGMXOCI-ZDUSSCGKSA-N 0 0 425.540 0.455 20 30 ICEDRN C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001539533399 1071602848 /nfs/dbraw/zinc/60/28/48/1071602848.db2.gz PMMNUAFNNLQWSA-UXHICEINSA-N 0 0 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NDGMBHHITJUDHV-QGZVFWFLSA-N 0 0 446.533 0.433 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001540871519 1071693324 /nfs/dbraw/zinc/69/33/24/1071693324.db2.gz NOKQYXNXJDMMTD-HNNXBMFYSA-N 0 0 428.497 0.209 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001540871520 1071693418 /nfs/dbraw/zinc/69/34/18/1071693418.db2.gz NOKQYXNXJDMMTD-OAHLLOKOSA-N 0 0 428.497 0.209 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC001540871583 1071693352 /nfs/dbraw/zinc/69/33/52/1071693352.db2.gz OZJMKSRWYJKTIG-CVEARBPZSA-N 0 0 442.524 0.482 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC001540871584 1071693386 /nfs/dbraw/zinc/69/33/86/1071693386.db2.gz OZJMKSRWYJKTIG-HOTGVXAUSA-N 0 0 442.524 0.482 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001540871585 1071693452 /nfs/dbraw/zinc/69/34/52/1071693452.db2.gz OZJMKSRWYJKTIG-HZPDHXFCSA-N 0 0 442.524 0.482 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001540871586 1071693395 /nfs/dbraw/zinc/69/33/95/1071693395.db2.gz OZJMKSRWYJKTIG-JKSUJKDBSA-N 0 0 442.524 0.482 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001540871626 1071693381 /nfs/dbraw/zinc/69/33/81/1071693381.db2.gz PWFDGDDQGRTWCZ-CABCVRRESA-N 0 0 449.537 0.558 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001540871627 1071693442 /nfs/dbraw/zinc/69/34/42/1071693442.db2.gz PWFDGDDQGRTWCZ-GJZGRUSLSA-N 0 0 449.537 0.558 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001540871628 1071693335 /nfs/dbraw/zinc/69/33/35/1071693335.db2.gz PWFDGDDQGRTWCZ-HUUCEWRRSA-N 0 0 449.537 0.558 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001540871629 1071693424 /nfs/dbraw/zinc/69/34/24/1071693424.db2.gz PWFDGDDQGRTWCZ-LSDHHAIUSA-N 0 0 449.537 0.558 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 ZINC001540871635 1071693368 /nfs/dbraw/zinc/69/33/68/1071693368.db2.gz QBIBRZWTALOCAP-CABCVRRESA-N 0 0 426.543 0.150 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 ZINC001540871636 1071693342 /nfs/dbraw/zinc/69/33/42/1071693342.db2.gz QBIBRZWTALOCAP-GJZGRUSLSA-N 0 0 426.543 0.150 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 ZINC001540871637 1071693401 /nfs/dbraw/zinc/69/34/01/1071693401.db2.gz QBIBRZWTALOCAP-HUUCEWRRSA-N 0 0 426.543 0.150 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 ZINC001540871638 1071693770 /nfs/dbraw/zinc/69/37/70/1071693770.db2.gz QBIBRZWTALOCAP-LSDHHAIUSA-N 0 0 426.543 0.150 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001540871660 1071693806 /nfs/dbraw/zinc/69/38/06/1071693806.db2.gz QJCXJYHGWGZYDV-CVEARBPZSA-N 0 0 425.555 0.734 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001540871661 1071693853 /nfs/dbraw/zinc/69/38/53/1071693853.db2.gz QJCXJYHGWGZYDV-HOTGVXAUSA-N 0 0 425.555 0.734 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001540871662 1071693814 /nfs/dbraw/zinc/69/38/14/1071693814.db2.gz QJCXJYHGWGZYDV-HZPDHXFCSA-N 0 0 425.555 0.734 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001540871663 1071693787 /nfs/dbraw/zinc/69/37/87/1071693787.db2.gz QJCXJYHGWGZYDV-JKSUJKDBSA-N 0 0 425.555 0.734 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 ZINC001540871764 1071693785 /nfs/dbraw/zinc/69/37/85/1071693785.db2.gz SWZOOWGPTPAKNY-CYBMUJFWSA-N 0 0 448.496 0.149 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 ZINC001540871765 1071693818 /nfs/dbraw/zinc/69/38/18/1071693818.db2.gz SWZOOWGPTPAKNY-ZDUSSCGKSA-N 0 0 448.496 0.149 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C)C1 ZINC001540871808 1071693777 /nfs/dbraw/zinc/69/37/77/1071693777.db2.gz UOVOGQHFYJKQDW-KFWWJZLASA-N 0 0 426.543 0.005 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001540871809 1071693822 /nfs/dbraw/zinc/69/38/22/1071693822.db2.gz UOVOGQHFYJKQDW-KKUMJFAQSA-N 0 0 426.543 0.005 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001540871810 1071693832 /nfs/dbraw/zinc/69/38/32/1071693832.db2.gz UOVOGQHFYJKQDW-QLFBSQMISA-N 0 0 426.543 0.005 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H](C)C1 ZINC001540871811 1071693773 /nfs/dbraw/zinc/69/37/73/1071693773.db2.gz UOVOGQHFYJKQDW-ZNMIVQPWSA-N 0 0 426.543 0.005 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001540871844 1071693797 /nfs/dbraw/zinc/69/37/97/1071693797.db2.gz VKUDPRLBAVEMJC-HNNXBMFYSA-N 0 0 435.554 0.469 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C ZINC001540871845 1071693864 /nfs/dbraw/zinc/69/38/64/1071693864.db2.gz VKUDPRLBAVEMJC-OAHLLOKOSA-N 0 0 435.554 0.469 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 ZINC001540871949 1071693801 /nfs/dbraw/zinc/69/38/01/1071693801.db2.gz YIFUFILOKMHFGF-HNNXBMFYSA-N 0 0 447.517 0.848 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 ZINC001540871950 1071693790 /nfs/dbraw/zinc/69/37/90/1071693790.db2.gz YIFUFILOKMHFGF-OAHLLOKOSA-N 0 0 447.517 0.848 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 ZINC001540871971 1071693792 /nfs/dbraw/zinc/69/37/92/1071693792.db2.gz YWMAFPGJHABWQF-AWEZNQCLSA-N 0 0 433.538 0.385 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 ZINC001540871972 1071693781 /nfs/dbraw/zinc/69/37/81/1071693781.db2.gz YWMAFPGJHABWQF-CQSZACIVSA-N 0 0 433.538 0.385 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001540872007 1071693809 /nfs/dbraw/zinc/69/38/09/1071693809.db2.gz ZOQNKYKKLYEMTL-KRWDZBQOSA-N 0 0 439.520 0.510 20 30 ICEDRN C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC001540872008 1071693796 /nfs/dbraw/zinc/69/37/96/1071693796.db2.gz ZOQNKYKKLYEMTL-QGZVFWFLSA-N 0 0 439.520 0.510 20 30 ICEDRN C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001540872122 1071693841 /nfs/dbraw/zinc/69/38/41/1071693841.db2.gz DEUZSIZQGJCGDP-IBGZPJMESA-N 0 0 426.521 0.821 20 30 ICEDRN C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001540872123 1071694571 /nfs/dbraw/zinc/69/45/71/1071694571.db2.gz DEUZSIZQGJCGDP-LJQANCHMSA-N 0 0 426.521 0.821 20 30 ICEDRN C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001540872134 1071694587 /nfs/dbraw/zinc/69/45/87/1071694587.db2.gz DJVRNESRANQUNQ-UHFFFAOYSA-N 0 0 449.515 0.836 20 30 ICEDRN C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 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C=CCNC(=O)Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 ZINC001540876658 1071696592 /nfs/dbraw/zinc/69/65/92/1071696592.db2.gz XQPGFQZJUOBXJE-KXBFYZLASA-N 0 0 441.554 0.246 20 30 ICEDRN C=CCNC(=O)Cn1c(N2C[C@H](COC)O[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001540876700 1071696625 /nfs/dbraw/zinc/69/66/25/1071696625.db2.gz YQDREVRXGOEWMM-CSODHUTKSA-N 0 0 437.541 0.861 20 30 ICEDRN C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001540876701 1071697303 /nfs/dbraw/zinc/69/73/03/1071697303.db2.gz YQDREVRXGOEWMM-FIKGOQFSSA-N 0 0 437.541 0.861 20 30 ICEDRN C=CCNC(=O)Cn1c(N2C[C@H](COC)O[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001540876702 1071697283 /nfs/dbraw/zinc/69/72/83/1071697283.db2.gz YQDREVRXGOEWMM-FVJLSDCUSA-N 0 0 437.541 0.861 20 30 ICEDRN C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001540876703 1071697231 /nfs/dbraw/zinc/69/72/31/1071697231.db2.gz YQDREVRXGOEWMM-XGHQBKJUSA-N 0 0 437.541 0.861 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1c1nncn1C ZINC001540876768 1071697295 /nfs/dbraw/zinc/69/72/95/1071697295.db2.gz ACPYRRDSRHSSFR-UXLLHSPISA-N 0 0 430.513 0.774 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1c1nncn1C ZINC001540876769 1071697271 /nfs/dbraw/zinc/69/72/71/1071697271.db2.gz ACPYRRDSRHSSFR-ZOBUZTSGSA-N 0 0 430.513 0.774 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccnn2)CC1 ZINC001540876867 1071697298 /nfs/dbraw/zinc/69/72/98/1071697298.db2.gz DPSJOMVWMRDUCF-LPHOPBHVSA-N 0 0 442.524 0.421 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 ZINC001540877102 1071697244 /nfs/dbraw/zinc/69/72/44/1071697244.db2.gz KRCUDBNGDZPNQO-WMZOPIPTSA-N 0 0 434.541 0.609 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001540877153 1071697237 /nfs/dbraw/zinc/69/72/37/1071697237.db2.gz MEGPTVYSPAMZEY-OAHLLOKOSA-N 0 0 426.543 0.292 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 ZINC001540877226 1071697288 /nfs/dbraw/zinc/69/72/88/1071697288.db2.gz OBAYUIFWHBXODM-OAHLLOKOSA-N 0 0 428.497 0.557 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 ZINC001540877335 1071697273 /nfs/dbraw/zinc/69/72/73/1071697273.db2.gz RFEXNYAOSYDMLJ-DOTOQJQBSA-N 0 0 442.524 0.829 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 ZINC001540877336 1071697291 /nfs/dbraw/zinc/69/72/91/1071697291.db2.gz RFEXNYAOSYDMLJ-NVXWUHKLSA-N 0 0 442.524 0.829 20 30 ICEDRN C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(F)(F)F)CC1 ZINC001540877354 1071697256 /nfs/dbraw/zinc/69/72/56/1071697256.db2.gz SEAJZBUCXOKFSV-HOCLYGCPSA-N 0 0 446.474 0.989 20 30 ICEDRN C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)CC2)cc1 ZINC001540877537 1071697310 /nfs/dbraw/zinc/69/73/10/1071697310.db2.gz YPJNCFWAUZHFQQ-HNNXBMFYSA-N 0 0 448.549 0.828 20 30 ICEDRN C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCNC(=O)CC2)cc1 ZINC001540877538 1071697249 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ANVJHQHCBQYMOE-MRXNPFEDSA-N 0 0 431.518 0.730 20 30 ICEDRN C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C1 ZINC001540882356 1071697756 /nfs/dbraw/zinc/69/77/56/1071697756.db2.gz HGWUOAPIWQBAON-CABCVRRESA-N 0 0 440.570 0.715 20 30 ICEDRN C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C1 ZINC001540882357 1071697784 /nfs/dbraw/zinc/69/77/84/1071697784.db2.gz HGWUOAPIWQBAON-GJZGRUSLSA-N 0 0 440.570 0.715 20 30 ICEDRN C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C1 ZINC001540882358 1071697696 /nfs/dbraw/zinc/69/76/96/1071697696.db2.gz HGWUOAPIWQBAON-HUUCEWRRSA-N 0 0 440.570 0.715 20 30 ICEDRN C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)C1 ZINC001540882359 1071697772 /nfs/dbraw/zinc/69/77/72/1071697772.db2.gz HGWUOAPIWQBAON-LSDHHAIUSA-N 0 0 440.570 0.715 20 30 ICEDRN C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CC2)C1 ZINC001540882544 1071697742 /nfs/dbraw/zinc/69/77/42/1071697742.db2.gz KHVCLNPFNFKHHP-JDBVMXIESA-N 0 0 431.584 0.581 20 30 ICEDRN C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CC2)C1 ZINC001540882545 1071697825 /nfs/dbraw/zinc/69/78/25/1071697825.db2.gz KHVCLNPFNFKHHP-QOHXFFFDSA-N 0 0 431.584 0.581 20 30 ICEDRN C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CC2)C1 ZINC001540882546 1071697767 /nfs/dbraw/zinc/69/77/67/1071697767.db2.gz KHVCLNPFNFKHHP-SSWHHONOSA-N 0 0 431.584 0.581 20 30 ICEDRN C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CC2)C1 ZINC001540882547 1071697713 /nfs/dbraw/zinc/69/77/13/1071697713.db2.gz KHVCLNPFNFKHHP-ZRBXUZRCSA-N 0 0 431.584 0.581 20 30 ICEDRN C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)COCCO2)C1 ZINC001540882626 1071697759 /nfs/dbraw/zinc/69/77/59/1071697759.db2.gz LUXSRJRCCGLITC-DAYGRLMNSA-N 0 0 429.543 0.475 20 30 ICEDRN C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)COCCO2)C1 ZINC001540882627 1071697720 /nfs/dbraw/zinc/69/77/20/1071697720.db2.gz LUXSRJRCCGLITC-HDMKZQKVSA-N 0 0 429.543 0.475 20 30 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C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 ZINC001540897555 1071699628 /nfs/dbraw/zinc/69/96/28/1071699628.db2.gz MDRWMOKDCUJJPL-AWEZNQCLSA-N 0 0 442.542 0.294 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC)C1 ZINC001540897642 1071699649 /nfs/dbraw/zinc/69/96/49/1071699649.db2.gz OIWUXZYOHDBHDD-KBPBESRZSA-N 0 0 435.572 0.104 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC)C1 ZINC001540897643 1071699548 /nfs/dbraw/zinc/69/95/48/1071699548.db2.gz OIWUXZYOHDBHDD-KGLIPLIRSA-N 0 0 435.572 0.104 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC)C1 ZINC001540897644 1071699621 /nfs/dbraw/zinc/69/96/21/1071699621.db2.gz OIWUXZYOHDBHDD-UONOGXRCSA-N 0 0 435.572 0.104 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC)C1 ZINC001540897645 1071699625 /nfs/dbraw/zinc/69/96/25/1071699625.db2.gz OIWUXZYOHDBHDD-ZIAGYGMSSA-N 0 0 435.572 0.104 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccn2)CC1 ZINC001540897712 1071699589 /nfs/dbraw/zinc/69/95/89/1071699589.db2.gz PYCKKVURGDMGHF-UHFFFAOYSA-N 0 0 448.553 0.134 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 ZINC001540897927 1071699654 /nfs/dbraw/zinc/69/96/54/1071699654.db2.gz VWGZWPSOBCOOOD-CABCVRRESA-N 0 0 449.599 0.350 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 ZINC001540897928 1071699572 /nfs/dbraw/zinc/69/95/72/1071699572.db2.gz VWGZWPSOBCOOOD-GJZGRUSLSA-N 0 0 449.599 0.350 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001540897929 1071699652 /nfs/dbraw/zinc/69/96/52/1071699652.db2.gz VWGZWPSOBCOOOD-HUUCEWRRSA-N 0 0 449.599 0.350 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 ZINC001540897930 1071699646 /nfs/dbraw/zinc/69/96/46/1071699646.db2.gz VWGZWPSOBCOOOD-LSDHHAIUSA-N 0 0 449.599 0.350 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCC[C@@H]21 ZINC001540898044 1071700169 /nfs/dbraw/zinc/70/01/69/1071700169.db2.gz YNUZLZJVDJBVEQ-KKUMJFAQSA-N 0 0 431.584 0.868 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCC[C@H]21 ZINC001540898045 1071700124 /nfs/dbraw/zinc/70/01/24/1071700124.db2.gz YNUZLZJVDJBVEQ-RRFJBIMHSA-N 0 0 431.584 0.868 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCC[C@H]21 ZINC001540898046 1071700150 /nfs/dbraw/zinc/70/01/50/1071700150.db2.gz YNUZLZJVDJBVEQ-SOUVJXGZSA-N 0 0 431.584 0.868 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCC[C@@H]21 ZINC001540898047 1071700192 /nfs/dbraw/zinc/70/01/92/1071700192.db2.gz YNUZLZJVDJBVEQ-ZNMIVQPWSA-N 0 0 431.584 0.868 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001540898178 1071700198 /nfs/dbraw/zinc/70/01/98/1071700198.db2.gz BVOZVOVFKPFGKT-AWEZNQCLSA-N 0 0 449.533 0.875 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001540898179 1071700163 /nfs/dbraw/zinc/70/01/63/1071700163.db2.gz BVOZVOVFKPFGKT-CQSZACIVSA-N 0 0 449.533 0.875 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001540898332 1071700156 /nfs/dbraw/zinc/70/01/56/1071700156.db2.gz HCDVRMPGQUCXLW-UHFFFAOYSA-N 0 0 425.540 0.894 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 ZINC001540898411 1071700119 /nfs/dbraw/zinc/70/01/19/1071700119.db2.gz JNVCUONAYIJSCA-UHFFFAOYSA-N 0 0 434.522 0.729 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O ZINC001540899350 1071700220 /nfs/dbraw/zinc/70/02/20/1071700220.db2.gz LDJNKQRJUWOACT-UHFFFAOYSA-N 0 0 437.547 0.898 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001540900798 1071700188 /nfs/dbraw/zinc/70/01/88/1071700188.db2.gz ISBFWGMUPZCDJI-HNNXBMFYSA-N 0 0 441.579 0.898 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001540900799 1071700077 /nfs/dbraw/zinc/70/00/77/1071700077.db2.gz ISBFWGMUPZCDJI-OAHLLOKOSA-N 0 0 441.579 0.898 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001540900801 1071700133 /nfs/dbraw/zinc/70/01/33/1071700133.db2.gz ITNFTTBXPFBVLB-HNNXBMFYSA-N 0 0 433.538 0.440 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001540900802 1071700110 /nfs/dbraw/zinc/70/01/10/1071700110.db2.gz ITNFTTBXPFBVLB-OAHLLOKOSA-N 0 0 433.538 0.440 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001540901004 1071700206 /nfs/dbraw/zinc/70/02/06/1071700206.db2.gz PSUDCFUFSLNSEB-UHFFFAOYSA-N 0 0 448.549 0.672 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cnn(C)c2)CC1 ZINC001540901057 1071700089 /nfs/dbraw/zinc/70/00/89/1071700089.db2.gz RIQYVBTZHUTTSN-UHFFFAOYSA-N 0 0 430.538 0.934 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 ZINC001540901107 1071700181 /nfs/dbraw/zinc/70/01/81/1071700181.db2.gz SRHJUGMRHVVABI-UHFFFAOYSA-N 0 0 447.565 0.199 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 ZINC001540901139 1071700101 /nfs/dbraw/zinc/70/01/01/1071700101.db2.gz UIDMNKBWYSKENT-UHFFFAOYSA-N 0 0 447.565 0.199 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001540901248 1071700212 /nfs/dbraw/zinc/70/02/12/1071700212.db2.gz XMINSUAUGZIELO-UHFFFAOYSA-N 0 0 448.549 0.672 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 ZINC001540901341 1071700176 /nfs/dbraw/zinc/70/01/76/1071700176.db2.gz AIWGYNPIUVXTMM-UHFFFAOYSA-N 0 0 447.565 0.728 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001540901371 1071700141 /nfs/dbraw/zinc/70/01/41/1071700141.db2.gz BFTQXFBXQGWXGL-INIZCTEOSA-N 0 0 435.554 0.584 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001540901372 1071700562 /nfs/dbraw/zinc/70/05/62/1071700562.db2.gz BFTQXFBXQGWXGL-MRXNPFEDSA-N 0 0 435.554 0.584 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 ZINC001540901382 1071700535 /nfs/dbraw/zinc/70/05/35/1071700535.db2.gz BLQKWCZZUOXUCT-KRWDZBQOSA-N 0 0 447.565 0.494 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 ZINC001540901383 1071700640 /nfs/dbraw/zinc/70/06/40/1071700640.db2.gz BLQKWCZZUOXUCT-QGZVFWFLSA-N 0 0 447.565 0.494 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001540901399 1071700597 /nfs/dbraw/zinc/70/05/97/1071700597.db2.gz CABIYNQOXRJUDU-UHFFFAOYSA-N 0 0 445.549 0.831 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(CCC)C(=O)C1 ZINC001540901411 1071700648 /nfs/dbraw/zinc/70/06/48/1071700648.db2.gz CLMUUNOFNSTDKI-UHFFFAOYSA-N 0 0 433.538 0.785 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001540901413 1071700488 /nfs/dbraw/zinc/70/04/88/1071700488.db2.gz CNCPBRZDASAFTP-HNNXBMFYSA-N 0 0 439.563 0.873 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001540901414 1071700519 /nfs/dbraw/zinc/70/05/19/1071700519.db2.gz CNCPBRZDASAFTP-OAHLLOKOSA-N 0 0 439.563 0.873 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001540901418 1071700605 /nfs/dbraw/zinc/70/06/05/1071700605.db2.gz CULVEFOTNMPDJO-CYBMUJFWSA-N 0 0 430.556 0.149 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001540901419 1071700481 /nfs/dbraw/zinc/70/04/81/1071700481.db2.gz CULVEFOTNMPDJO-ZDUSSCGKSA-N 0 0 430.556 0.149 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001540901450 1071700583 /nfs/dbraw/zinc/70/05/83/1071700583.db2.gz DRMZDHVQVGFBPH-GFCCVEGCSA-N 0 0 441.945 0.853 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C ZINC001540901451 1071700526 /nfs/dbraw/zinc/70/05/26/1071700526.db2.gz DRMZDHVQVGFBPH-LBPRGKRZSA-N 0 0 441.945 0.853 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NC)CC1 ZINC001540901514 1071700469 /nfs/dbraw/zinc/70/04/69/1071700469.db2.gz GFDBZZLKVAZYMF-UHFFFAOYSA-N 0 0 433.538 0.711 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001540901522 1071700574 /nfs/dbraw/zinc/70/05/74/1071700574.db2.gz GLLTXLITKPVICS-KRWDZBQOSA-N 0 0 447.565 0.494 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001540901523 1071700613 /nfs/dbraw/zinc/70/06/13/1071700613.db2.gz GLLTXLITKPVICS-QGZVFWFLSA-N 0 0 447.565 0.494 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC001540901540 1071700631 /nfs/dbraw/zinc/70/06/31/1071700631.db2.gz HHSQNKOPJAOPFE-INIZCTEOSA-N 0 0 445.549 0.927 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC001540901541 1071700553 /nfs/dbraw/zinc/70/05/53/1071700553.db2.gz HHSQNKOPJAOPFE-MRXNPFEDSA-N 0 0 445.549 0.927 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001540901603 1071700498 /nfs/dbraw/zinc/70/04/98/1071700498.db2.gz JTFGVENXBHFGHI-CABCVRRESA-N 0 0 435.510 0.214 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001540901608 1071700591 /nfs/dbraw/zinc/70/05/91/1071700591.db2.gz KGUVBHWVBHWKSG-INIZCTEOSA-N 0 0 435.554 0.774 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001540901609 1071700509 /nfs/dbraw/zinc/70/05/09/1071700509.db2.gz KGUVBHWVBHWKSG-MRXNPFEDSA-N 0 0 435.554 0.774 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 ZINC001540901669 1071700544 /nfs/dbraw/zinc/70/05/44/1071700544.db2.gz LVMSRDVHIRLPAE-UHFFFAOYSA-N 0 0 447.565 0.728 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 ZINC001540901687 1071701175 /nfs/dbraw/zinc/70/11/75/1071701175.db2.gz MCHJIMDQQIHANT-UHFFFAOYSA-N 0 0 435.554 0.727 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001540901689 1071701144 /nfs/dbraw/zinc/70/11/44/1071701144.db2.gz MDLUGOQXXQFSAD-UHFFFAOYSA-N 0 0 444.565 0.997 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001540901770 1071701190 /nfs/dbraw/zinc/70/11/90/1071701190.db2.gz OOYQKTFGHSIWMG-UHFFFAOYSA-N 0 0 433.538 0.641 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2c(cc[nH]c2=O)C1 ZINC001540901873 1071701116 /nfs/dbraw/zinc/70/11/16/1071701116.db2.gz RYGIXORFHFQGGU-UHFFFAOYSA-N 0 0 427.490 0.999 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001540901881 1071701136 /nfs/dbraw/zinc/70/11/36/1071701136.db2.gz SKPJPJWVFBGNFM-KRWDZBQOSA-N 0 0 430.538 0.456 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001540901882 1071701215 /nfs/dbraw/zinc/70/12/15/1071701215.db2.gz SKPJPJWVFBGNFM-QGZVFWFLSA-N 0 0 430.538 0.456 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)CCS(C)(=O)=O ZINC001540901894 1071701044 /nfs/dbraw/zinc/70/10/44/1071701044.db2.gz SVQUFPZUXOFWBM-UHFFFAOYSA-N 0 0 427.552 0.730 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CO)CC1 ZINC001540901963 1071701011 /nfs/dbraw/zinc/70/10/11/1071701011.db2.gz WCKVPBRFUHXXOU-UHFFFAOYSA-N 0 0 437.522 0.815 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)F)CC1 ZINC001540901971 1071701153 /nfs/dbraw/zinc/70/11/53/1071701153.db2.gz WKYDORANXNHQLN-UHFFFAOYSA-N 0 0 429.497 0.667 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCOCC1 ZINC001540901978 1071701220 /nfs/dbraw/zinc/70/12/20/1071701220.db2.gz WPNBYJSSRHFSEH-UHFFFAOYSA-N 0 0 444.517 0.629 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001540902043 1071701164 /nfs/dbraw/zinc/70/11/64/1071701164.db2.gz YNKADVFYRCFKHB-HNNXBMFYSA-N 0 0 431.522 0.463 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001540902044 1071701227 /nfs/dbraw/zinc/70/12/27/1071701227.db2.gz YNKADVFYRCFKHB-OAHLLOKOSA-N 0 0 431.522 0.463 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001540902166 1071701129 /nfs/dbraw/zinc/70/11/29/1071701129.db2.gz BZGBZTOUQWAEJO-CVEARBPZSA-N 0 0 441.554 0.460 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001540902167 1071701037 /nfs/dbraw/zinc/70/10/37/1071701037.db2.gz BZGBZTOUQWAEJO-HOTGVXAUSA-N 0 0 441.554 0.460 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001540902168 1071701185 /nfs/dbraw/zinc/70/11/85/1071701185.db2.gz BZGBZTOUQWAEJO-HZPDHXFCSA-N 0 0 441.554 0.460 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001540902169 1071701075 /nfs/dbraw/zinc/70/10/75/1071701075.db2.gz BZGBZTOUQWAEJO-JKSUJKDBSA-N 0 0 441.554 0.460 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001540902189 1071701027 /nfs/dbraw/zinc/70/10/27/1071701027.db2.gz CMVFAHUKZFTDLL-DLBZAZTESA-N 0 0 425.555 0.878 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001540902190 1071701059 /nfs/dbraw/zinc/70/10/59/1071701059.db2.gz CMVFAHUKZFTDLL-IAGOWNOFSA-N 0 0 425.555 0.878 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001540902191 1071701563 /nfs/dbraw/zinc/70/15/63/1071701563.db2.gz CMVFAHUKZFTDLL-IRXDYDNUSA-N 0 0 425.555 0.878 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001540902192 1071701572 /nfs/dbraw/zinc/70/15/72/1071701572.db2.gz CMVFAHUKZFTDLL-SJORKVTESA-N 0 0 425.555 0.878 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001540902208 1071701581 /nfs/dbraw/zinc/70/15/81/1071701581.db2.gz CQCLEADGCHVUEY-KRWDZBQOSA-N 0 0 437.566 0.974 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001540902209 1071701546 /nfs/dbraw/zinc/70/15/46/1071701546.db2.gz CQCLEADGCHVUEY-QGZVFWFLSA-N 0 0 437.566 0.974 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(C)=O)CC1 ZINC001540902250 1071701567 /nfs/dbraw/zinc/70/15/67/1071701567.db2.gz FAAYXSDVKQVUAJ-KRWDZBQOSA-N 0 0 425.555 0.832 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(C)=O)CC1 ZINC001540902251 1071701484 /nfs/dbraw/zinc/70/14/84/1071701484.db2.gz FAAYXSDVKQVUAJ-QGZVFWFLSA-N 0 0 425.555 0.832 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001540902278 1071701587 /nfs/dbraw/zinc/70/15/87/1071701587.db2.gz FODVBFGXDFFSIE-CABCVRRESA-N 0 0 449.537 0.905 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001540902279 1071701536 /nfs/dbraw/zinc/70/15/36/1071701536.db2.gz FODVBFGXDFFSIE-GJZGRUSLSA-N 0 0 449.537 0.905 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 ZINC001540902280 1071701524 /nfs/dbraw/zinc/70/15/24/1071701524.db2.gz FODVBFGXDFFSIE-HUUCEWRRSA-N 0 0 449.537 0.905 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)no2)C1 ZINC001540902281 1071701552 /nfs/dbraw/zinc/70/15/52/1071701552.db2.gz FODVBFGXDFFSIE-LSDHHAIUSA-N 0 0 449.537 0.905 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001540902299 1071701514 /nfs/dbraw/zinc/70/15/14/1071701514.db2.gz GHDFULNWFMULBC-INIZCTEOSA-N 0 0 440.570 0.624 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 ZINC001540902300 1071701500 /nfs/dbraw/zinc/70/15/00/1071701500.db2.gz GHDFULNWFMULBC-MRXNPFEDSA-N 0 0 440.570 0.624 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001540902369 1071701520 /nfs/dbraw/zinc/70/15/20/1071701520.db2.gz HUNSKWBZGMKZIH-CABCVRRESA-N 0 0 432.568 0.744 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001540902370 1071701505 /nfs/dbraw/zinc/70/15/05/1071701505.db2.gz HUNSKWBZGMKZIH-GJZGRUSLSA-N 0 0 432.568 0.744 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001540902371 1071701558 /nfs/dbraw/zinc/70/15/58/1071701558.db2.gz HUNSKWBZGMKZIH-HUUCEWRRSA-N 0 0 432.568 0.744 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001540902372 1071701575 /nfs/dbraw/zinc/70/15/75/1071701575.db2.gz HUNSKWBZGMKZIH-LSDHHAIUSA-N 0 0 432.568 0.744 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001540902420 1071701495 /nfs/dbraw/zinc/70/14/95/1071701495.db2.gz IRVJOVTWFSJSLY-ILXRZTDVSA-N 0 0 426.495 0.887 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001540902421 1071701568 /nfs/dbraw/zinc/70/15/68/1071701568.db2.gz IRVJOVTWFSJSLY-KFWWJZLASA-N 0 0 426.495 0.887 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001540902422 1071701592 /nfs/dbraw/zinc/70/15/92/1071701592.db2.gz IRVJOVTWFSJSLY-QLFBSQMISA-N 0 0 426.495 0.887 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001540902423 1071701531 /nfs/dbraw/zinc/70/15/31/1071701531.db2.gz IRVJOVTWFSJSLY-RBSFLKMASA-N 0 0 426.495 0.887 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001540902600 1071702016 /nfs/dbraw/zinc/70/20/16/1071702016.db2.gz MUPOPLOTPSRLGT-INIZCTEOSA-N 0 0 441.554 0.068 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 ZINC001540902601 1071702073 /nfs/dbraw/zinc/70/20/73/1071702073.db2.gz MUPOPLOTPSRLGT-MRXNPFEDSA-N 0 0 441.554 0.068 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001540902716 1071702022 /nfs/dbraw/zinc/70/20/22/1071702022.db2.gz OUSDRGQKRMALSZ-KRWDZBQOSA-N 0 0 447.565 0.948 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(C)c2)CC1 ZINC001540902717 1071701948 /nfs/dbraw/zinc/70/19/48/1071701948.db2.gz OUSDRGQKRMALSZ-QGZVFWFLSA-N 0 0 447.565 0.948 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(NC(=O)COC)CC1 ZINC001540902770 1071702005 /nfs/dbraw/zinc/70/20/05/1071702005.db2.gz PSXGNCYSYKOEFJ-UHFFFAOYSA-N 0 0 425.555 0.878 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001540902809 1071702059 /nfs/dbraw/zinc/70/20/59/1071702059.db2.gz QZPKWSVPQHCJCN-DOTOQJQBSA-N 0 0 425.555 0.830 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001540902810 1071702065 /nfs/dbraw/zinc/70/20/65/1071702065.db2.gz QZPKWSVPQHCJCN-NVXWUHKLSA-N 0 0 425.555 0.830 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001540902811 1071701998 /nfs/dbraw/zinc/70/19/98/1071701998.db2.gz QZPKWSVPQHCJCN-RDJZCZTQSA-N 0 0 425.555 0.830 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001540902812 1071701918 /nfs/dbraw/zinc/70/19/18/1071701918.db2.gz QZPKWSVPQHCJCN-WBVHZDCISA-N 0 0 425.555 0.830 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001540902856 1071702031 /nfs/dbraw/zinc/70/20/31/1071702031.db2.gz SGERGMXBXNSRPC-CVEARBPZSA-N 0 0 446.595 0.786 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001540902857 1071701935 /nfs/dbraw/zinc/70/19/35/1071701935.db2.gz SGERGMXBXNSRPC-HOTGVXAUSA-N 0 0 446.595 0.786 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001540902858 1071702078 /nfs/dbraw/zinc/70/20/78/1071702078.db2.gz SGERGMXBXNSRPC-HZPDHXFCSA-N 0 0 446.595 0.786 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001540902859 1071701971 /nfs/dbraw/zinc/70/19/71/1071701971.db2.gz SGERGMXBXNSRPC-JKSUJKDBSA-N 0 0 446.595 0.786 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001540902908 1071701961 /nfs/dbraw/zinc/70/19/61/1071701961.db2.gz UERRZGZQVHAXAA-CABCVRRESA-N 0 0 425.511 0.414 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 ZINC001540902909 1071702092 /nfs/dbraw/zinc/70/20/92/1071702092.db2.gz UERRZGZQVHAXAA-GJZGRUSLSA-N 0 0 425.511 0.414 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001540902910 1071702088 /nfs/dbraw/zinc/70/20/88/1071702088.db2.gz UERRZGZQVHAXAA-HUUCEWRRSA-N 0 0 425.511 0.414 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@H]2C1 ZINC001540902911 1071701983 /nfs/dbraw/zinc/70/19/83/1071701983.db2.gz UERRZGZQVHAXAA-LSDHHAIUSA-N 0 0 425.511 0.414 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001540903042 1071702053 /nfs/dbraw/zinc/70/20/53/1071702053.db2.gz XLONDWPUHHDGSV-UHFFFAOYSA-N 0 0 431.584 0.618 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001540903152 1071702041 /nfs/dbraw/zinc/70/20/41/1071702041.db2.gz ZNAILARGEJJAIB-UHFFFAOYSA-N 0 0 445.611 0.912 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001540903153 1071701906 /nfs/dbraw/zinc/70/19/06/1071701906.db2.gz ZNMULMNCPXAKMD-INIZCTEOSA-N 0 0 437.566 0.878 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)C2CC2)CC1 ZINC001540903154 1071702508 /nfs/dbraw/zinc/70/25/08/1071702508.db2.gz ZNMULMNCPXAKMD-MRXNPFEDSA-N 0 0 437.566 0.878 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 ZINC001540903371 1071702516 /nfs/dbraw/zinc/70/25/16/1071702516.db2.gz CFDUVNCDRLMCIP-CVEARBPZSA-N 0 0 433.490 0.979 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 ZINC001540903372 1071702597 /nfs/dbraw/zinc/70/25/97/1071702597.db2.gz CFDUVNCDRLMCIP-HOTGVXAUSA-N 0 0 433.490 0.979 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 ZINC001540903373 1071702416 /nfs/dbraw/zinc/70/24/16/1071702416.db2.gz CFDUVNCDRLMCIP-HZPDHXFCSA-N 0 0 433.490 0.979 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 ZINC001540903374 1071702407 /nfs/dbraw/zinc/70/24/07/1071702407.db2.gz CFDUVNCDRLMCIP-JKSUJKDBSA-N 0 0 433.490 0.979 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001540903462 1071702366 /nfs/dbraw/zinc/70/23/66/1071702366.db2.gz DZVJLTWTKURLLX-UHFFFAOYSA-N 0 0 438.598 0.576 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CC)C1 ZINC001540903743 1071702432 /nfs/dbraw/zinc/70/24/32/1071702432.db2.gz HLRBOYBESRIYCS-CABCVRRESA-N 0 0 432.568 0.396 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CC)C1 ZINC001540903747 1071702352 /nfs/dbraw/zinc/70/23/52/1071702352.db2.gz HLRBOYBESRIYCS-GJZGRUSLSA-N 0 0 432.568 0.396 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CC)C1 ZINC001540903750 1071702462 /nfs/dbraw/zinc/70/24/62/1071702462.db2.gz HLRBOYBESRIYCS-HUUCEWRRSA-N 0 0 432.568 0.396 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CC)C1 ZINC001540903751 1071702571 /nfs/dbraw/zinc/70/25/71/1071702571.db2.gz HLRBOYBESRIYCS-LSDHHAIUSA-N 0 0 432.568 0.396 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001540903767 1071702562 /nfs/dbraw/zinc/70/25/62/1071702562.db2.gz GRKRXCDBRAFZJR-INIZCTEOSA-N 0 0 432.550 0.957 20 30 ICEDRN 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C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 ZINC001541115778 1071755059 /nfs/dbraw/zinc/75/50/59/1071755059.db2.gz FFJFNDLVPLLTJZ-HZPDHXFCSA-N 0 0 436.542 0.494 20 30 ICEDRN C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCn1cccn1 ZINC001541115779 1071754846 /nfs/dbraw/zinc/75/48/46/1071754846.db2.gz FFJFNDLVPLLTJZ-JKSUJKDBSA-N 0 0 436.542 0.494 20 30 ICEDRN C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001541116832 1071754984 /nfs/dbraw/zinc/75/49/84/1071754984.db2.gz VXDXQPLKEPPGGV-CABCVRRESA-N 0 0 437.526 0.876 20 30 ICEDRN C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001541116833 1071754868 /nfs/dbraw/zinc/75/48/68/1071754868.db2.gz VXDXQPLKEPPGGV-GJZGRUSLSA-N 0 0 437.526 0.876 20 30 ICEDRN C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001541116834 1071754857 /nfs/dbraw/zinc/75/48/57/1071754857.db2.gz VXDXQPLKEPPGGV-HUUCEWRRSA-N 0 0 437.526 0.876 20 30 ICEDRN 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C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cnnn1C ZINC001541909901 1071911534 /nfs/dbraw/zinc/91/15/34/1071911534.db2.gz NFJHDGIERRTETO-CYBMUJFWSA-N 0 0 429.510 0.573 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cnnn1C ZINC001541909902 1071911501 /nfs/dbraw/zinc/91/15/01/1071911501.db2.gz NFJHDGIERRTETO-ZDUSSCGKSA-N 0 0 429.510 0.573 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCO[C@H]1C ZINC001541911329 1071912578 /nfs/dbraw/zinc/91/25/78/1071912578.db2.gz OBJRARPUSIHKIC-AUSJPIAWSA-N 0 0 448.549 0.936 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@H]1C ZINC001541911330 1071912565 /nfs/dbraw/zinc/91/25/65/1071912565.db2.gz OBJRARPUSIHKIC-AVYPCKFXSA-N 0 0 448.549 0.936 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCO[C@@H]1C ZINC001541911331 1071912638 /nfs/dbraw/zinc/91/26/38/1071912638.db2.gz OBJRARPUSIHKIC-BXTJHSDWSA-N 0 0 448.549 0.936 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCO[C@@H]1C ZINC001541911332 1071912613 /nfs/dbraw/zinc/91/26/13/1071912613.db2.gz OBJRARPUSIHKIC-MDOVXXIYSA-N 0 0 448.549 0.936 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O ZINC001541911643 1071912632 /nfs/dbraw/zinc/91/26/32/1071912632.db2.gz UTJWLERRKLQUGM-JLTOFOAXSA-N 0 0 445.549 0.875 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O ZINC001541911644 1071912624 /nfs/dbraw/zinc/91/26/24/1071912624.db2.gz UTJWLERRKLQUGM-VBKZILBWSA-N 0 0 445.549 0.875 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O ZINC001541911645 1071912592 /nfs/dbraw/zinc/91/25/92/1071912592.db2.gz UTJWLERRKLQUGM-VLIAUNLRSA-N 0 0 445.549 0.875 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O ZINC001541911646 1071912564 /nfs/dbraw/zinc/91/25/64/1071912564.db2.gz UTJWLERRKLQUGM-XOBRGWDASA-N 0 0 445.549 0.875 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCC(=O)NC(C)(C)C ZINC001541921751 1071920516 /nfs/dbraw/zinc/92/05/16/1071920516.db2.gz WBRAWJKKZFWIMH-CYBMUJFWSA-N 0 0 425.559 0.933 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCC(=O)NC(C)(C)C ZINC001541921752 1071920442 /nfs/dbraw/zinc/92/04/42/1071920442.db2.gz WBRAWJKKZFWIMH-ZDUSSCGKSA-N 0 0 425.559 0.933 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCSC1 ZINC001541922423 1071920973 /nfs/dbraw/zinc/92/09/73/1071920973.db2.gz ITIXXBAXNDZQQF-CXAGYDPISA-N 0 0 428.584 0.886 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCSC1 ZINC001541922424 1071921002 /nfs/dbraw/zinc/92/10/02/1071921002.db2.gz ITIXXBAXNDZQQF-DYVFJYSZSA-N 0 0 428.584 0.886 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCSC1 ZINC001541922425 1071920909 /nfs/dbraw/zinc/92/09/09/1071920909.db2.gz ITIXXBAXNDZQQF-GUYCJALGSA-N 0 0 428.584 0.886 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCSC1 ZINC001541922426 1071921451 /nfs/dbraw/zinc/92/14/51/1071921451.db2.gz ITIXXBAXNDZQQF-SUMWQHHRSA-N 0 0 428.584 0.886 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1nnc2n1CCC2 ZINC001541925409 1071922978 /nfs/dbraw/zinc/92/29/78/1071922978.db2.gz BYYHWRYZIAPADC-CYBMUJFWSA-N 0 0 433.542 0.604 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1nnc2n1CCC2 ZINC001541925410 1071923336 /nfs/dbraw/zinc/92/33/36/1071923336.db2.gz BYYHWRYZIAPADC-ZDUSSCGKSA-N 0 0 433.542 0.604 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@H]1C ZINC001541925481 1071923513 /nfs/dbraw/zinc/92/35/13/1071923513.db2.gz DEFGTDPVVOPGCP-CVEARBPZSA-N 0 0 439.586 0.739 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@@H]1C ZINC001541925482 1071923451 /nfs/dbraw/zinc/92/34/51/1071923451.db2.gz DEFGTDPVVOPGCP-HOTGVXAUSA-N 0 0 439.586 0.739 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@H]1C ZINC001541925483 1071923345 /nfs/dbraw/zinc/92/33/45/1071923345.db2.gz DEFGTDPVVOPGCP-HZPDHXFCSA-N 0 0 439.586 0.739 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@@H]1C ZINC001541925484 1071923362 /nfs/dbraw/zinc/92/33/62/1071923362.db2.gz DEFGTDPVVOPGCP-JKSUJKDBSA-N 0 0 439.586 0.739 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001541925539 1071923485 /nfs/dbraw/zinc/92/34/85/1071923485.db2.gz DZHPJKCSVOVDTP-CWRNSKLLSA-N 0 0 426.543 0.558 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001541925540 1071923437 /nfs/dbraw/zinc/92/34/37/1071923437.db2.gz DZHPJKCSVOVDTP-VNQPRFMTSA-N 0 0 426.543 0.558 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCC(F)F ZINC001541925649 1071923429 /nfs/dbraw/zinc/92/34/29/1071923429.db2.gz GJHSJMLVOWIFON-LLVKDONJSA-N 0 0 433.485 0.400 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCC(F)F ZINC001541925650 1071923444 /nfs/dbraw/zinc/92/34/44/1071923444.db2.gz GJHSJMLVOWIFON-NSHDSACASA-N 0 0 433.485 0.400 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCC(=O)N(C)C ZINC001541926527 1071924379 /nfs/dbraw/zinc/92/43/79/1071924379.db2.gz UAMLGSBMZLROJI-AWEZNQCLSA-N 0 0 425.559 0.887 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCC(=O)N(C)C ZINC001541926528 1071924457 /nfs/dbraw/zinc/92/44/57/1071924457.db2.gz UAMLGSBMZLROJI-CQSZACIVSA-N 0 0 425.559 0.887 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCSC1 ZINC001541926557 1071924361 /nfs/dbraw/zinc/92/43/61/1071924361.db2.gz UPJRHLZMTZUOLX-CXAGYDPISA-N 0 0 428.584 0.886 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCSC1 ZINC001541926558 1071924451 /nfs/dbraw/zinc/92/44/51/1071924451.db2.gz UPJRHLZMTZUOLX-DYVFJYSZSA-N 0 0 428.584 0.886 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCSC1 ZINC001541926559 1071924406 /nfs/dbraw/zinc/92/44/06/1071924406.db2.gz UPJRHLZMTZUOLX-GUYCJALGSA-N 0 0 428.584 0.886 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCSC1 ZINC001541926560 1071924446 /nfs/dbraw/zinc/92/44/46/1071924446.db2.gz UPJRHLZMTZUOLX-SUMWQHHRSA-N 0 0 428.584 0.886 20 30 ICEDRN C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)N1CCOCC1 ZINC001541926741 1071924424 /nfs/dbraw/zinc/92/44/24/1071924424.db2.gz WYIATDHVAVHCRR-CVEARBPZSA-N 0 0 439.586 0.739 20 30 ICEDRN C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)N1CCOCC1 ZINC001541926742 1071924905 /nfs/dbraw/zinc/92/49/05/1071924905.db2.gz WYIATDHVAVHCRR-HOTGVXAUSA-N 0 0 439.586 0.739 20 30 ICEDRN C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)N1CCOCC1 ZINC001541926743 1071924867 /nfs/dbraw/zinc/92/48/67/1071924867.db2.gz WYIATDHVAVHCRR-HZPDHXFCSA-N 0 0 439.586 0.739 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)N1CCOCC1 ZINC001541926744 1071924843 /nfs/dbraw/zinc/92/48/43/1071924843.db2.gz WYIATDHVAVHCRR-JKSUJKDBSA-N 0 0 439.586 0.739 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001541926861 1071924915 /nfs/dbraw/zinc/92/49/15/1071924915.db2.gz ZQOISHOXKIGSIO-DZGCQCFKSA-N 0 0 437.570 0.933 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001541926862 1071924900 /nfs/dbraw/zinc/92/49/00/1071924900.db2.gz ZQOISHOXKIGSIO-HIFRSBDPSA-N 0 0 437.570 0.933 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001541926863 1071924817 /nfs/dbraw/zinc/92/48/17/1071924817.db2.gz ZQOISHOXKIGSIO-UKRRQHHQSA-N 0 0 437.570 0.933 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001541926864 1071924835 /nfs/dbraw/zinc/92/48/35/1071924835.db2.gz ZQOISHOXKIGSIO-ZFWWWQNUSA-N 0 0 437.570 0.933 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncccc1N(C)C ZINC001541927289 1071924863 /nfs/dbraw/zinc/92/48/63/1071924863.db2.gz HQRJYZHTFIITSL-ACJLOTCBSA-N 0 0 436.517 0.840 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncccc1N(C)C ZINC001541927290 1071925352 /nfs/dbraw/zinc/92/53/52/1071925352.db2.gz HQRJYZHTFIITSL-FZKQIMNGSA-N 0 0 436.517 0.840 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncccc1N(C)C ZINC001541927291 1071925393 /nfs/dbraw/zinc/92/53/93/1071925393.db2.gz HQRJYZHTFIITSL-SCLBCKFNSA-N 0 0 436.517 0.840 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncccc1N(C)C ZINC001541927292 1071925360 /nfs/dbraw/zinc/92/53/60/1071925360.db2.gz HQRJYZHTFIITSL-UGSOOPFHSA-N 0 0 436.517 0.840 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1cnn(C)n1 ZINC001541927345 1071925303 /nfs/dbraw/zinc/92/53/03/1071925303.db2.gz IWSXGSHCVGCFRG-BLLLJJGKSA-N 0 0 425.494 0.092 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1cnn(C)n1 ZINC001541927346 1071925336 /nfs/dbraw/zinc/92/53/36/1071925336.db2.gz IWSXGSHCVGCFRG-LRDDRELGSA-N 0 0 425.494 0.092 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1cnn(C)n1 ZINC001541927347 1071925435 /nfs/dbraw/zinc/92/54/35/1071925435.db2.gz IWSXGSHCVGCFRG-MLGOLLRUSA-N 0 0 425.494 0.092 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1cnn(C)n1 ZINC001541927348 1071925328 /nfs/dbraw/zinc/92/53/28/1071925328.db2.gz IWSXGSHCVGCFRG-WBMJQRKESA-N 0 0 425.494 0.092 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)NC(C)(C)C ZINC001541927511 1071925341 /nfs/dbraw/zinc/92/53/41/1071925341.db2.gz LSRAANBOYSXBAI-PXAZEXFGSA-N 0 0 429.522 0.635 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)NC(C)(C)C ZINC001541927512 1071925322 /nfs/dbraw/zinc/92/53/22/1071925322.db2.gz LSRAANBOYSXBAI-SJCJKPOMSA-N 0 0 429.522 0.635 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)NC(C)(C)C ZINC001541927513 1071925381 /nfs/dbraw/zinc/92/53/81/1071925381.db2.gz LSRAANBOYSXBAI-SJKOYZFVSA-N 0 0 429.522 0.635 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)NC(C)(C)C ZINC001541927514 1071925382 /nfs/dbraw/zinc/92/53/82/1071925382.db2.gz LSRAANBOYSXBAI-YVEFUNNKSA-N 0 0 429.522 0.635 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCO[C@H]1CCOC1 ZINC001541927673 1071925389 /nfs/dbraw/zinc/92/53/89/1071925389.db2.gz OHHKXCQILLFOPA-GRDNDAEWSA-N 0 0 430.506 0.526 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCO[C@@H]1CCOC1 ZINC001541927674 1071925893 /nfs/dbraw/zinc/92/58/93/1071925893.db2.gz OHHKXCQILLFOPA-JJRVBVJISA-N 0 0 430.506 0.526 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCO[C@@H]1CCOC1 ZINC001541927675 1071925872 /nfs/dbraw/zinc/92/58/72/1071925872.db2.gz OHHKXCQILLFOPA-VBQJREDUSA-N 0 0 430.506 0.526 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCO[C@H]1CCOC1 ZINC001541927676 1071925856 /nfs/dbraw/zinc/92/58/56/1071925856.db2.gz OHHKXCQILLFOPA-ZQIUZPCESA-N 0 0 430.506 0.526 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 ZINC001541927701 1071925837 /nfs/dbraw/zinc/92/58/37/1071925837.db2.gz ONEFRTYETRVISL-GRDNDAEWSA-N 0 0 442.517 0.873 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 ZINC001541927702 1071925861 /nfs/dbraw/zinc/92/58/61/1071925861.db2.gz ONEFRTYETRVISL-JJRVBVJISA-N 0 0 442.517 0.873 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 ZINC001541927703 1071925894 /nfs/dbraw/zinc/92/58/94/1071925894.db2.gz ONEFRTYETRVISL-VBQJREDUSA-N 0 0 442.517 0.873 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 ZINC001541927704 1071925892 /nfs/dbraw/zinc/92/58/92/1071925892.db2.gz ONEFRTYETRVISL-ZQIUZPCESA-N 0 0 442.517 0.873 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001541928051 1071926305 /nfs/dbraw/zinc/92/63/05/1071926305.db2.gz VHYXLXCKUYSKFV-DOMZBBRYSA-N 0 0 448.546 0.298 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001541928052 1071926282 /nfs/dbraw/zinc/92/62/82/1071926282.db2.gz VHYXLXCKUYSKFV-IUODEOHRSA-N 0 0 448.546 0.298 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001541928053 1071926337 /nfs/dbraw/zinc/92/63/37/1071926337.db2.gz VHYXLXCKUYSKFV-SWLSCSKDSA-N 0 0 448.546 0.298 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 ZINC001541928054 1071926333 /nfs/dbraw/zinc/92/63/33/1071926333.db2.gz VHYXLXCKUYSKFV-WFASDCNBSA-N 0 0 448.546 0.298 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NC1CCCCC1 ZINC001541928187 1071926314 /nfs/dbraw/zinc/92/63/14/1071926314.db2.gz XOPLSKNNQVRWSJ-ACJLOTCBSA-N 0 0 441.533 0.779 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NC1CCCCC1 ZINC001541928188 1071926342 /nfs/dbraw/zinc/92/63/42/1071926342.db2.gz XOPLSKNNQVRWSJ-FZKQIMNGSA-N 0 0 441.533 0.779 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NC1CCCCC1 ZINC001541928189 1071926288 /nfs/dbraw/zinc/92/62/88/1071926288.db2.gz XOPLSKNNQVRWSJ-SCLBCKFNSA-N 0 0 441.533 0.779 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NC1CCCCC1 ZINC001541928190 1071926272 /nfs/dbraw/zinc/92/62/72/1071926272.db2.gz XOPLSKNNQVRWSJ-UGSOOPFHSA-N 0 0 441.533 0.779 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC(=O)NC1CC1 ZINC001541928247 1071926364 /nfs/dbraw/zinc/92/63/64/1071926364.db2.gz YKCRVYXLGDYWGO-PXAZEXFGSA-N 0 0 427.506 0.389 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC(=O)NC1CC1 ZINC001541928248 1071926296 /nfs/dbraw/zinc/92/62/96/1071926296.db2.gz YKCRVYXLGDYWGO-SJCJKPOMSA-N 0 0 427.506 0.389 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC(=O)NC1CC1 ZINC001541928249 1071926319 /nfs/dbraw/zinc/92/63/19/1071926319.db2.gz YKCRVYXLGDYWGO-SJKOYZFVSA-N 0 0 427.506 0.389 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC(=O)NC1CC1 ZINC001541928250 1071926327 /nfs/dbraw/zinc/92/63/27/1071926327.db2.gz YKCRVYXLGDYWGO-YVEFUNNKSA-N 0 0 427.506 0.389 20 30 ICEDRN C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)N1CCOCC1 ZINC001541934734 1071932378 /nfs/dbraw/zinc/93/23/78/1071932378.db2.gz DFISIWFGIXNGRV-BXWFABGCSA-N 0 0 439.586 0.739 20 30 ICEDRN C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)N1CCOCC1 ZINC001541934735 1071932474 /nfs/dbraw/zinc/93/24/74/1071932474.db2.gz DFISIWFGIXNGRV-GJYPPUQNSA-N 0 0 439.586 0.739 20 30 ICEDRN C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)N1CCOCC1 ZINC001541934736 1071932425 /nfs/dbraw/zinc/93/24/25/1071932425.db2.gz DFISIWFGIXNGRV-JTDSTZFVSA-N 0 0 439.586 0.739 20 30 ICEDRN C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)N1CCOCC1 ZINC001541934737 1071932350 /nfs/dbraw/zinc/93/23/50/1071932350.db2.gz DFISIWFGIXNGRV-TXPKVOOTSA-N 0 0 439.586 0.739 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCOCC1 ZINC001541935470 1071933300 /nfs/dbraw/zinc/93/33/00/1071933300.db2.gz ODNSEHXLGRFYDJ-PBHICJAKSA-N 0 0 426.543 0.560 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCOCC1 ZINC001541935471 1071933325 /nfs/dbraw/zinc/93/33/25/1071933325.db2.gz ODNSEHXLGRFYDJ-RHSMWYFYSA-N 0 0 426.543 0.560 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCOCC1 ZINC001541935472 1071933341 /nfs/dbraw/zinc/93/33/41/1071933341.db2.gz ODNSEHXLGRFYDJ-WMLDXEAASA-N 0 0 426.543 0.560 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCOCC1 ZINC001541935473 1071933315 /nfs/dbraw/zinc/93/33/15/1071933315.db2.gz ODNSEHXLGRFYDJ-YOEHRIQHSA-N 0 0 426.543 0.560 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)F ZINC001541935494 1071933306 /nfs/dbraw/zinc/93/33/06/1071933306.db2.gz OTRNVPUSKVVQGU-BDJLRTHQSA-N 0 0 433.485 0.400 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)F ZINC001541935495 1071933323 /nfs/dbraw/zinc/93/33/23/1071933323.db2.gz OTRNVPUSKVVQGU-BZNIZROVSA-N 0 0 433.485 0.400 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)F ZINC001541935496 1071933347 /nfs/dbraw/zinc/93/33/47/1071933347.db2.gz OTRNVPUSKVVQGU-MEDUHNTESA-N 0 0 433.485 0.400 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)F ZINC001541935497 1071933314 /nfs/dbraw/zinc/93/33/14/1071933314.db2.gz OTRNVPUSKVVQGU-ZBEGNZNMSA-N 0 0 433.485 0.400 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001541936118 1071933796 /nfs/dbraw/zinc/93/37/96/1071933796.db2.gz XQZDPSZUGMNHEN-AFIMGQEJSA-N 0 0 426.543 0.558 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001541936119 1071933686 /nfs/dbraw/zinc/93/36/86/1071933686.db2.gz XQZDPSZUGMNHEN-BASYENTBSA-N 0 0 426.543 0.558 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001541936120 1071933809 /nfs/dbraw/zinc/93/38/09/1071933809.db2.gz XQZDPSZUGMNHEN-FSZRXZPDSA-N 0 0 426.543 0.558 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001541936121 1071933707 /nfs/dbraw/zinc/93/37/07/1071933707.db2.gz XQZDPSZUGMNHEN-OIPACUDHSA-N 0 0 426.543 0.558 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCCC1 ZINC001541942977 1071939321 /nfs/dbraw/zinc/93/93/21/1071939321.db2.gz NMVQXAFDACOLEQ-GDBMZVCRSA-N 0 0 437.570 0.370 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCCC1 ZINC001541942978 1071939433 /nfs/dbraw/zinc/93/94/33/1071939433.db2.gz NMVQXAFDACOLEQ-GOEBONIOSA-N 0 0 437.570 0.370 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCCC1 ZINC001541942979 1071939394 /nfs/dbraw/zinc/93/93/94/1071939394.db2.gz NMVQXAFDACOLEQ-HOCLYGCPSA-N 0 0 437.570 0.370 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCCC1 ZINC001541942980 1071939350 /nfs/dbraw/zinc/93/93/50/1071939350.db2.gz NMVQXAFDACOLEQ-ZBFHGGJFSA-N 0 0 437.570 0.370 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CC1 ZINC001541943471 1071939812 /nfs/dbraw/zinc/93/98/12/1071939812.db2.gz XCXUVJJPRKRGSX-AWEZNQCLSA-N 0 0 430.538 0.892 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CC1 ZINC001541943472 1071940380 /nfs/dbraw/zinc/94/03/80/1071940380.db2.gz XCXUVJJPRKRGSX-CQSZACIVSA-N 0 0 430.538 0.892 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CC1 ZINC001541943589 1071940294 /nfs/dbraw/zinc/94/02/94/1071940294.db2.gz ZBTPUVPIBVKYLO-HNNXBMFYSA-N 0 0 445.549 0.611 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CC1 ZINC001541943590 1071940266 /nfs/dbraw/zinc/94/02/66/1071940266.db2.gz ZBTPUVPIBVKYLO-OAHLLOKOSA-N 0 0 445.549 0.611 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCCCCC1 ZINC001541945766 1071942377 /nfs/dbraw/zinc/94/23/77/1071942377.db2.gz LIGHAHWUKLTSGS-CABCVRRESA-N 0 0 426.543 0.702 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCCCCC1 ZINC001541945767 1071942755 /nfs/dbraw/zinc/94/27/55/1071942755.db2.gz LIGHAHWUKLTSGS-GJZGRUSLSA-N 0 0 426.543 0.702 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCCCCC1 ZINC001541945768 1071942856 /nfs/dbraw/zinc/94/28/56/1071942856.db2.gz LIGHAHWUKLTSGS-HUUCEWRRSA-N 0 0 426.543 0.702 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCCCCC1 ZINC001541945769 1071942800 /nfs/dbraw/zinc/94/28/00/1071942800.db2.gz LIGHAHWUKLTSGS-LSDHHAIUSA-N 0 0 426.543 0.702 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 ZINC001541946054 1071943154 /nfs/dbraw/zinc/94/31/54/1071943154.db2.gz PBWKILZSOGEMPK-DZGCQCFKSA-N 0 0 434.526 0.126 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 ZINC001541946055 1071943339 /nfs/dbraw/zinc/94/33/39/1071943339.db2.gz PBWKILZSOGEMPK-HIFRSBDPSA-N 0 0 434.526 0.126 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 ZINC001541946056 1071943816 /nfs/dbraw/zinc/94/38/16/1071943816.db2.gz PBWKILZSOGEMPK-UKRRQHHQSA-N 0 0 434.526 0.126 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 ZINC001541946057 1071943772 /nfs/dbraw/zinc/94/37/72/1071943772.db2.gz PBWKILZSOGEMPK-ZFWWWQNUSA-N 0 0 434.526 0.126 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1F ZINC001541946228 1071943857 /nfs/dbraw/zinc/94/38/57/1071943857.db2.gz RLRVKOHVRSEHLP-CHWSQXEVSA-N 0 0 439.473 0.230 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1F ZINC001541946229 1071943736 /nfs/dbraw/zinc/94/37/36/1071943736.db2.gz RLRVKOHVRSEHLP-OLZOCXBDSA-N 0 0 439.473 0.230 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1F ZINC001541946230 1071943752 /nfs/dbraw/zinc/94/37/52/1071943752.db2.gz RLRVKOHVRSEHLP-QWHCGFSZSA-N 0 0 439.473 0.230 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1F ZINC001541946231 1071943839 /nfs/dbraw/zinc/94/38/39/1071943839.db2.gz RLRVKOHVRSEHLP-STQMWFEESA-N 0 0 439.473 0.230 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 ZINC001541946518 1071944189 /nfs/dbraw/zinc/94/41/89/1071944189.db2.gz WZFXEKVBBPKSDS-KBXCAEBGSA-N 0 0 446.533 0.738 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 ZINC001541946519 1071944818 /nfs/dbraw/zinc/94/48/18/1071944818.db2.gz WZFXEKVBBPKSDS-KDOFPFPSSA-N 0 0 446.533 0.738 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 ZINC001541946520 1071944767 /nfs/dbraw/zinc/94/47/67/1071944767.db2.gz WZFXEKVBBPKSDS-KSSFIOAISA-N 0 0 446.533 0.738 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 ZINC001541946521 1071944821 /nfs/dbraw/zinc/94/48/21/1071944821.db2.gz WZFXEKVBBPKSDS-RDTXWAMCSA-N 0 0 446.533 0.738 20 30 ICEDRN C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 ZINC001541958080 1071953267 /nfs/dbraw/zinc/95/32/67/1071953267.db2.gz YSFYEAYYGVZNTI-KNBMTAEXSA-N 0 0 431.518 0.817 20 30 ICEDRN C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 ZINC001541958081 1071953231 /nfs/dbraw/zinc/95/32/31/1071953231.db2.gz YSFYEAYYGVZNTI-MDYRTPRTSA-N 0 0 431.518 0.817 20 30 ICEDRN C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 ZINC001541958082 1071953216 /nfs/dbraw/zinc/95/32/16/1071953216.db2.gz YSFYEAYYGVZNTI-SYNHAJSKSA-N 0 0 431.518 0.817 20 30 ICEDRN C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 ZINC001541958083 1071953236 /nfs/dbraw/zinc/95/32/36/1071953236.db2.gz YSFYEAYYGVZNTI-VPWXQRGCSA-N 0 0 431.518 0.817 20 30 ICEDRN C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001541988013 1071954208 /nfs/dbraw/zinc/95/42/08/1071954208.db2.gz KQZJCXSPFKLYSH-JXFKEZNVSA-N 0 0 449.581 0.926 20 30 ICEDRN C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001541988014 1071954727 /nfs/dbraw/zinc/95/47/27/1071954727.db2.gz KQZJCXSPFKLYSH-OXJNMPFZSA-N 0 0 449.581 0.926 20 30 ICEDRN C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001541988015 1071954698 /nfs/dbraw/zinc/95/46/98/1071954698.db2.gz KQZJCXSPFKLYSH-OXQOHEQNSA-N 0 0 449.581 0.926 20 30 ICEDRN C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC001541988016 1071954654 /nfs/dbraw/zinc/95/46/54/1071954654.db2.gz KQZJCXSPFKLYSH-UZLBHIALSA-N 0 0 449.581 0.926 20 30 ICEDRN C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCOCC2)C1 ZINC001541990393 1071954688 /nfs/dbraw/zinc/95/46/88/1071954688.db2.gz FYWTZWMZVQLKGG-NRFANRHFSA-N 0 0 429.525 0.779 20 30 ICEDRN C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCOCC2)C1 ZINC001541990394 1071954631 /nfs/dbraw/zinc/95/46/31/1071954631.db2.gz FYWTZWMZVQLKGG-OAQYLSRUSA-N 0 0 429.525 0.779 20 30 ICEDRN C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC001541991085 1071954715 /nfs/dbraw/zinc/95/47/15/1071954715.db2.gz SZKAFHZEOFYSES-OXQOHEQNSA-N 0 0 449.581 0.955 20 30 ICEDRN C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2S(C)(=O)=O)C1 ZINC001541991086 1071954747 /nfs/dbraw/zinc/95/47/47/1071954747.db2.gz SZKAFHZEOFYSES-UZLBHIALSA-N 0 0 449.581 0.955 20 30 ICEDRN CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001541992216 1071954741 /nfs/dbraw/zinc/95/47/41/1071954741.db2.gz YXBAYRANHNKYME-INIZCTEOSA-N 0 0 449.581 0.926 20 30 ICEDRN CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC001541992217 1071954695 /nfs/dbraw/zinc/95/46/95/1071954695.db2.gz YXBAYRANHNKYME-MRXNPFEDSA-N 0 0 449.581 0.926 20 30 ICEDRN CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC001541993433 1071954660 /nfs/dbraw/zinc/95/46/60/1071954660.db2.gz RRAUBBYCZOSBAW-MRXNPFEDSA-N 0 0 449.581 0.955 20 30 ICEDRN CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCOCC2)CC1 ZINC001541993647 1071954664 /nfs/dbraw/zinc/95/46/64/1071954664.db2.gz ZOCMSXWUEARYSB-UHFFFAOYSA-N 0 0 429.525 0.779 20 30 ICEDRN C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 ZINC001541996933 1071956172 /nfs/dbraw/zinc/95/61/72/1071956172.db2.gz UAHPMIDEVRCRJH-LAUBAEHRSA-N 0 0 426.477 0.846 20 30 ICEDRN C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 ZINC001541996934 1071956181 /nfs/dbraw/zinc/95/61/81/1071956181.db2.gz UAHPMIDEVRCRJH-UWJYYQICSA-N 0 0 426.477 0.846 20 30 ICEDRN Cc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)sc1C ZINC001542050149 1071960676 /nfs/dbraw/zinc/96/06/76/1071960676.db2.gz KQXLOXLFWAXYLK-AAEUAGOBSA-N 0 0 425.540 0.739 20 30 ICEDRN Cc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)sc1C ZINC001542050150 1071960668 /nfs/dbraw/zinc/96/06/68/1071960668.db2.gz KQXLOXLFWAXYLK-DGCLKSJQSA-N 0 0 425.540 0.739 20 30 ICEDRN Cc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)sc1C ZINC001542050151 1071960623 /nfs/dbraw/zinc/96/06/23/1071960623.db2.gz KQXLOXLFWAXYLK-WCQYABFASA-N 0 0 425.540 0.739 20 30 ICEDRN Cc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)sc1C ZINC001542050152 1071960648 /nfs/dbraw/zinc/96/06/48/1071960648.db2.gz KQXLOXLFWAXYLK-YPMHNXCESA-N 0 0 425.540 0.739 20 30 ICEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)c1 ZINC001542111491 1071964541 /nfs/dbraw/zinc/96/45/41/1071964541.db2.gz HOJJTHVDDFQYMQ-IBGZPJMESA-N 0 0 438.459 0.807 20 30 ICEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)c1 ZINC001542111492 1071965111 /nfs/dbraw/zinc/96/51/11/1071965111.db2.gz HOJJTHVDDFQYMQ-LJQANCHMSA-N 0 0 438.459 0.807 20 30 ICEDRN C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)c1 ZINC001542111615 1071965069 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FWYRJCYLNJHVDZ-MRXNPFEDSA-N 0 0 435.510 0.696 20 30 ICEDRN CCOC(=O)CN(CC(N)=O)C(=O)COc1c(Br)cc(C#N)cc1OCC ZINC001542350964 1071976398 /nfs/dbraw/zinc/97/63/98/1071976398.db2.gz XLHCEHLHARMBFO-UHFFFAOYSA-N 0 0 442.266 0.975 20 30 ICEDRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cn1 ZINC001542392395 1071979235 /nfs/dbraw/zinc/97/92/35/1071979235.db2.gz GQUWWTLDBYODCU-APWZRJJASA-N 0 0 449.512 0.805 20 30 ICEDRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@](F)(C#N)C2)cn1 ZINC001542392396 1071979285 /nfs/dbraw/zinc/97/92/85/1071979285.db2.gz GQUWWTLDBYODCU-LPHOPBHVSA-N 0 0 449.512 0.805 20 30 ICEDRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cn1 ZINC001542392397 1071979376 /nfs/dbraw/zinc/97/93/76/1071979376.db2.gz GQUWWTLDBYODCU-QFBILLFUSA-N 0 0 449.512 0.805 20 30 ICEDRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@](F)(C#N)C2)cn1 ZINC001542392398 1071979257 /nfs/dbraw/zinc/97/92/57/1071979257.db2.gz GQUWWTLDBYODCU-VQIMIIECSA-N 0 0 449.512 0.805 20 30 ICEDRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 ZINC001542393087 1071979381 /nfs/dbraw/zinc/97/93/81/1071979381.db2.gz ZFBROILJXRPKIP-MSOLQXFVSA-N 0 0 446.533 0.697 20 30 ICEDRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@H](C#N)C2)cc1 ZINC001542393088 1071979247 /nfs/dbraw/zinc/97/92/47/1071979247.db2.gz ZFBROILJXRPKIP-QZTJIDSGSA-N 0 0 446.533 0.697 20 30 ICEDRN Cc1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 ZINC001542393089 1071979347 /nfs/dbraw/zinc/97/93/47/1071979347.db2.gz ZFBROILJXRPKIP-ROUUACIJSA-N 0 0 446.533 0.697 20 30 ICEDRN Cc1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 ZINC001542393090 1071979338 /nfs/dbraw/zinc/97/93/38/1071979338.db2.gz ZFBROILJXRPKIP-ZWKOTPCHSA-N 0 0 446.533 0.697 20 30 ICEDRN CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCN3CCCS3(=O)=O)C2)C1 ZINC001542437315 1071981268 /nfs/dbraw/zinc/98/12/68/1071981268.db2.gz VSXVXCLAVCKMAL-HVEKOLDVSA-N 0 0 426.539 0.925 20 30 ICEDRN CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCN3CCCS3(=O)=O)C2)C1 ZINC001542437316 1071981290 /nfs/dbraw/zinc/98/12/90/1071981290.db2.gz VSXVXCLAVCKMAL-XAUUPUKJSA-N 0 0 426.539 0.925 20 30 ICEDRN C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001542438666 1071981260 /nfs/dbraw/zinc/98/12/60/1071981260.db2.gz PMBUQGRITUADHY-KRWDZBQOSA-N 0 0 437.541 0.529 20 30 ICEDRN C[C@H](C(=O)N(CCC#N)CCN1CCOCC1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001542438667 1071981853 /nfs/dbraw/zinc/98/18/53/1071981853.db2.gz PMBUQGRITUADHY-QGZVFWFLSA-N 0 0 437.541 0.529 20 30 ICEDRN N#Cc1cccnc1NCc1cccc(C(=O)NCCS(=O)(=O)N2CCOCC2)c1 ZINC001542480774 1071982398 /nfs/dbraw/zinc/98/23/98/1071982398.db2.gz HLNPOKRMQPKDBU-UHFFFAOYSA-N 0 0 429.502 0.957 20 30 ICEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001542481140 1071982772 /nfs/dbraw/zinc/98/27/72/1071982772.db2.gz WMPBTTZKKYEAPS-CYBMUJFWSA-N 0 0 425.935 0.801 20 30 ICEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC001542481141 1071982674 /nfs/dbraw/zinc/98/26/74/1071982674.db2.gz WMPBTTZKKYEAPS-ZDUSSCGKSA-N 0 0 425.935 0.801 20 30 ICEDRN Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 ZINC001542482764 1071983393 /nfs/dbraw/zinc/98/33/93/1071983393.db2.gz CCIPPHQJOAUYKY-SJORKVTESA-N 0 0 439.476 0.883 20 30 ICEDRN Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCS(C)(=O)=O)cc1 ZINC001542483337 1071983404 /nfs/dbraw/zinc/98/34/04/1071983404.db2.gz PRRLKDPXSNKHTF-GOSISDBHSA-N 0 0 449.533 0.956 20 30 ICEDRN Cc1cccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 ZINC001542517141 1071984041 /nfs/dbraw/zinc/98/40/41/1071984041.db2.gz BFGJRZZJFUQKID-GOSISDBHSA-N 0 0 437.504 0.981 20 30 ICEDRN Cc1cccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 ZINC001542517142 1071984016 /nfs/dbraw/zinc/98/40/16/1071984016.db2.gz BFGJRZZJFUQKID-SFHVURJKSA-N 0 0 437.504 0.981 20 30 ICEDRN C#CC[C@@]1(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C ZINC001542545566 1071985866 /nfs/dbraw/zinc/98/58/66/1071985866.db2.gz MCJCNADJDLSZNT-BEFAXECRSA-N 0 0 428.555 0.811 20 30 ICEDRN C#CC[C@]1(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C ZINC001542545568 1071985856 /nfs/dbraw/zinc/98/58/56/1071985856.db2.gz MCJCNADJDLSZNT-DNVCBOLYSA-N 0 0 428.555 0.811 20 30 ICEDRN C#CC[C@]1(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C ZINC001542545571 1071985837 /nfs/dbraw/zinc/98/58/37/1071985837.db2.gz MCJCNADJDLSZNT-HNAYVOBHSA-N 0 0 428.555 0.811 20 30 ICEDRN C#CC[C@@]1(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C ZINC001542545574 1071985970 /nfs/dbraw/zinc/98/59/70/1071985970.db2.gz MCJCNADJDLSZNT-KXBFYZLASA-N 0 0 428.555 0.811 20 30 ICEDRN C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(F)(F)F)cc3c2OCC(=O)N3)C1=O ZINC001542558588 1071987063 /nfs/dbraw/zinc/98/70/63/1071987063.db2.gz ZGWMNFZLIHEQCR-UHFFFAOYSA-N 0 0 426.307 0.952 20 30 ICEDRN C#CC[C@H]1CCN(C(=O)CCC(=O)N(CCOC)c2c(N)n(CCC)c(=O)[nH]c2=O)C1 ZINC001542599529 1071988521 /nfs/dbraw/zinc/98/85/21/1071988521.db2.gz GLSQSWOTMFSSGJ-HNNXBMFYSA-N 0 0 433.509 0.573 20 30 ICEDRN C#CC[C@@H]1CCN(C(=O)CCC(=O)N(CCOC)c2c(N)n(CCC)c(=O)[nH]c2=O)C1 ZINC001542599535 1071988430 /nfs/dbraw/zinc/98/84/30/1071988430.db2.gz GLSQSWOTMFSSGJ-OAHLLOKOSA-N 0 0 433.509 0.573 20 30 ICEDRN Cc1cccc(-c2nnc(N3CCN(C)C(=O)C3)n2CCNC(=O)C2N=CC=CC2=O)n1 ZINC001542628476 1071989842 /nfs/dbraw/zinc/98/98/42/1071989842.db2.gz KPTSBHFWPAMWKY-CZIZESTLSA-N 0 0 436.476 0.453 20 30 ICEDRN Cc1cccc(-c2nnc(N3CCN(C)C(=O)C3)n2CCNC(=O)C2N=CC=CC2=O)n1 ZINC001542628477 1071989910 /nfs/dbraw/zinc/98/99/10/1071989910.db2.gz KPTSBHFWPAMWKY-ZZEZOPTASA-N 0 0 436.476 0.453 20 30 ICEDRN Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCNC(=O)C2N=CC=CC2=O)n1 ZINC001542632221 1071990332 /nfs/dbraw/zinc/99/03/32/1071990332.db2.gz ZUTYAWYRTSFFDG-CZIZESTLSA-N 0 0 436.476 0.501 20 30 ICEDRN Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCNC(=O)C2N=CC=CC2=O)n1 ZINC001542632222 1071990384 /nfs/dbraw/zinc/99/03/84/1071990384.db2.gz 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/nfs/dbraw/zinc/28/18/29/1072281829.db2.gz IUAJRDDSVMSEGG-UHFFFAOYSA-N 0 0 425.493 0.909 20 30 ICEDRN CCN(c1nnc(C(C)C)n1CCNC(=O)C1N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 ZINC001547346389 1072285103 /nfs/dbraw/zinc/28/51/03/1072285103.db2.gz YTBQHVBGMKWFRU-DCOQFNDQSA-N 0 0 436.538 0.941 20 30 ICEDRN CCN(c1nnc(C(C)C)n1CCNC(=O)C1N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 ZINC001547346390 1072285096 /nfs/dbraw/zinc/28/50/96/1072285096.db2.gz YTBQHVBGMKWFRU-HFUDNHEJSA-N 0 0 436.538 0.941 20 30 ICEDRN CCN(c1nnc(C(C)C)n1CCNC(=O)C1N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001547346391 1072285257 /nfs/dbraw/zinc/28/52/57/1072285257.db2.gz YTBQHVBGMKWFRU-OHTQGHCMSA-N 0 0 436.538 0.941 20 30 ICEDRN CCN(c1nnc(C(C)C)n1CCNC(=O)C1N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001547346392 1072285181 /nfs/dbraw/zinc/28/51/81/1072285181.db2.gz YTBQHVBGMKWFRU-ZFDMEJTGSA-N 0 0 436.538 0.941 20 30 ICEDRN CCN(c1nnc(C2CC2)n1CCNC(=O)C1N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 ZINC001547366748 1072287087 /nfs/dbraw/zinc/28/70/87/1072287087.db2.gz ZWFZKXGDLZMTPZ-DCOQFNDQSA-N 0 0 434.522 0.695 20 30 ICEDRN CCN(c1nnc(C2CC2)n1CCNC(=O)C1N=CC=CC1=O)[C@H]1CCS(=O)(=O)C1 ZINC001547366749 1072286962 /nfs/dbraw/zinc/28/69/62/1072286962.db2.gz ZWFZKXGDLZMTPZ-HFUDNHEJSA-N 0 0 434.522 0.695 20 30 ICEDRN CCN(c1nnc(C2CC2)n1CCNC(=O)C1N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001547366750 1072286975 /nfs/dbraw/zinc/28/69/75/1072286975.db2.gz ZWFZKXGDLZMTPZ-OHTQGHCMSA-N 0 0 434.522 0.695 20 30 ICEDRN CCN(c1nnc(C2CC2)n1CCNC(=O)C1N=CC=CC1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001547366751 1072287066 /nfs/dbraw/zinc/28/70/66/1072287066.db2.gz ZWFZKXGDLZMTPZ-ZFDMEJTGSA-N 0 0 434.522 0.695 20 30 ICEDRN CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 ZINC001547419046 1072294115 /nfs/dbraw/zinc/29/41/15/1072294115.db2.gz VUYNOKCKUMJFPE-UHFFFAOYSA-N 0 0 449.523 0.972 20 30 ICEDRN CCN(CC)C(=O)N1CCN(c2nnc(C)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001547419067 1072294131 /nfs/dbraw/zinc/29/41/31/1072294131.db2.gz WXZWGQOYRJMQBN-ISLYRVAYSA-N 0 0 430.513 0.697 20 30 ICEDRN CCN(CC)C(=O)N1CCN(c2nnc(C)n2CCNC(=O)C2N=CC=CC2=O)CC1 ZINC001547419068 1072294014 /nfs/dbraw/zinc/29/40/14/1072294014.db2.gz WXZWGQOYRJMQBN-ZCXUNETKSA-N 0 0 430.513 0.697 20 30 ICEDRN CCN(CCCn1c(C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)S(C)(=O)=O ZINC001547572765 1072304505 /nfs/dbraw/zinc/30/45/05/1072304505.db2.gz OJEIMQWJTHSYBH-UHFFFAOYSA-N 0 0 432.554 0.851 20 30 ICEDRN CCN(CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O ZINC001547573478 1072304497 /nfs/dbraw/zinc/30/44/97/1072304497.db2.gz YYPGRKDHLMUXGE-GOSISDBHSA-N 0 0 441.533 0.628 20 30 ICEDRN CCN(CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O ZINC001547573479 1072304565 /nfs/dbraw/zinc/30/45/65/1072304565.db2.gz YYPGRKDHLMUXGE-SFHVURJKSA-N 0 0 441.533 0.628 20 30 ICEDRN CCN(CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1)S(C)(=O)=O ZINC001547576394 1072306318 /nfs/dbraw/zinc/30/63/18/1072306318.db2.gz VVKOEVOOAPKYGE-KRWDZBQOSA-N 0 0 433.538 0.664 20 30 ICEDRN CCN(CCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1)S(C)(=O)=O ZINC001547576395 1072306455 /nfs/dbraw/zinc/30/64/55/1072306455.db2.gz VVKOEVOOAPKYGE-QGZVFWFLSA-N 0 0 433.538 0.664 20 30 ICEDRN CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC ZINC001547600708 1072308646 /nfs/dbraw/zinc/30/86/46/1072308646.db2.gz LFLJLXPHSTZVSB-UHFFFAOYSA-N 0 0 440.551 0.237 20 30 ICEDRN CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 ZINC001547600749 1072308733 /nfs/dbraw/zinc/30/87/33/1072308733.db2.gz MVCDSDGFWOOYFG-UHFFFAOYSA-N 0 0 446.533 0.546 20 30 ICEDRN CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O ZINC001547601000 1072308718 /nfs/dbraw/zinc/30/87/18/1072308718.db2.gz SXVKROJXXRSQHI-UHFFFAOYSA-N 0 0 440.551 0.237 20 30 ICEDRN CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC)CCN2C1=O ZINC001547606281 1072312307 /nfs/dbraw/zinc/31/23/07/1072312307.db2.gz STWDINZUCGBKGP-INIZCTEOSA-N 0 0 436.476 0.426 20 30 ICEDRN CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(=O)NC)CCN2C1=O ZINC001547606284 1072312243 /nfs/dbraw/zinc/31/22/43/1072312243.db2.gz STWDINZUCGBKGP-MRXNPFEDSA-N 0 0 436.476 0.426 20 30 ICEDRN CCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cn1 ZINC001547620729 1072314817 /nfs/dbraw/zinc/31/48/17/1072314817.db2.gz LEHDHDNSYMONJA-GDBMZVCRSA-N 0 0 436.542 0.614 20 30 ICEDRN CCn1cc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cn1 ZINC001547620730 1072314790 /nfs/dbraw/zinc/31/47/90/1072314790.db2.gz LEHDHDNSYMONJA-GOEBONIOSA-N 0 0 436.542 0.614 20 30 ICEDRN CCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)cn1 ZINC001547620731 1072315083 /nfs/dbraw/zinc/31/50/83/1072315083.db2.gz LEHDHDNSYMONJA-HOCLYGCPSA-N 0 0 436.542 0.614 20 30 ICEDRN CCn1cc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)cn1 ZINC001547620732 1072315113 /nfs/dbraw/zinc/31/51/13/1072315113.db2.gz LEHDHDNSYMONJA-ZBFHGGJFSA-N 0 0 436.542 0.614 20 30 ICEDRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1=O ZINC001547623409 1072315652 /nfs/dbraw/zinc/31/56/52/1072315652.db2.gz RWESQHFIJGTVRI-ACJLOTCBSA-N 0 0 437.501 0.560 20 30 ICEDRN CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1=O ZINC001547623417 1072315617 /nfs/dbraw/zinc/31/56/17/1072315617.db2.gz RWESQHFIJGTVRI-FZKQIMNGSA-N 0 0 437.501 0.560 20 30 ICEDRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1=O ZINC001547623419 1072315692 /nfs/dbraw/zinc/31/56/92/1072315692.db2.gz RWESQHFIJGTVRI-SCLBCKFNSA-N 0 0 437.501 0.560 20 30 ICEDRN CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1=O ZINC001547623420 1072315583 /nfs/dbraw/zinc/31/55/83/1072315583.db2.gz RWESQHFIJGTVRI-UGSOOPFHSA-N 0 0 437.501 0.560 20 30 ICEDRN CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001547630162 1072317779 /nfs/dbraw/zinc/31/77/79/1072317779.db2.gz VTFMBYJONHDNFA-GOSISDBHSA-N 0 0 435.492 0.818 20 30 ICEDRN CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001547630165 1072317767 /nfs/dbraw/zinc/31/77/67/1072317767.db2.gz VTFMBYJONHDNFA-SFHVURJKSA-N 0 0 435.492 0.818 20 30 ICEDRN CCN1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1=O ZINC001547694617 1072327409 /nfs/dbraw/zinc/32/74/09/1072327409.db2.gz ZRIREDMVVSNMIU-AWEZNQCLSA-N 0 0 432.506 0.752 20 30 ICEDRN CCN1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1=O ZINC001547694621 1072327457 /nfs/dbraw/zinc/32/74/57/1072327457.db2.gz ZRIREDMVVSNMIU-CQSZACIVSA-N 0 0 432.506 0.752 20 30 ICEDRN CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)CC1=O ZINC001547697860 1072328238 /nfs/dbraw/zinc/32/82/38/1072328238.db2.gz QUWGOFHFICVADB-UHFFFAOYSA-N 0 0 425.493 0.923 20 30 ICEDRN CCN1CCCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)C2N=CC=CC2=O)CC1=O ZINC001547698502 1072329146 /nfs/dbraw/zinc/32/91/46/1072329146.db2.gz KGKLRCBBWWJNBK-IGGDJGDASA-N 0 0 443.508 0.715 20 30 ICEDRN CCN1CCCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)C2N=CC=CC2=O)CC1=O ZINC001547698503 1072328845 /nfs/dbraw/zinc/32/88/45/1072328845.db2.gz KGKLRCBBWWJNBK-OSCRUYLVSA-N 0 0 443.508 0.715 20 30 ICEDRN CCNC(=O)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCC1 ZINC001547755862 1072347245 /nfs/dbraw/zinc/34/72/45/1072347245.db2.gz CMUSYLSIERXXJV-UHFFFAOYSA-N 0 0 437.504 0.971 20 30 ICEDRN CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 ZINC001547764210 1072349057 /nfs/dbraw/zinc/34/90/57/1072349057.db2.gz GJWXXNXLHFOGGT-UHFFFAOYSA-N 0 0 448.535 0.757 20 30 ICEDRN CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 ZINC001547766052 1072350328 /nfs/dbraw/zinc/35/03/28/1072350328.db2.gz YFDQRDMCLBKDTO-UHFFFAOYSA-N 0 0 448.535 0.757 20 30 ICEDRN CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 ZINC001547766591 1072351553 /nfs/dbraw/zinc/35/15/53/1072351553.db2.gz NNJWSIJHTLTXSD-INIZCTEOSA-N 0 0 426.481 0.000 20 30 ICEDRN CCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 ZINC001547766592 1072351496 /nfs/dbraw/zinc/35/14/96/1072351496.db2.gz NNJWSIJHTLTXSD-MRXNPFEDSA-N 0 0 426.481 0.000 20 30 ICEDRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 ZINC001547780807 1072360281 /nfs/dbraw/zinc/36/02/81/1072360281.db2.gz MLYCWJGORQZHHI-KRWDZBQOSA-N 0 0 441.521 0.512 20 30 ICEDRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 ZINC001547780810 1072360261 /nfs/dbraw/zinc/36/02/61/1072360261.db2.gz MLYCWJGORQZHHI-QGZVFWFLSA-N 0 0 441.521 0.512 20 30 ICEDRN CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 ZINC001547781525 1072360663 /nfs/dbraw/zinc/36/06/63/1072360663.db2.gz PPTXFVBZGOPXPV-KRWDZBQOSA-N 0 0 441.521 0.626 20 30 ICEDRN CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 ZINC001547781527 1072360805 /nfs/dbraw/zinc/36/08/05/1072360805.db2.gz PPTXFVBZGOPXPV-QGZVFWFLSA-N 0 0 441.521 0.626 20 30 ICEDRN CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)CCOC1 ZINC001547859594 1072371252 /nfs/dbraw/zinc/37/12/52/1072371252.db2.gz KRKAMTDHANVDFE-BMGDILEWSA-N 0 0 427.527 0.076 20 30 ICEDRN CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)CCOC1 ZINC001547859595 1072371367 /nfs/dbraw/zinc/37/13/67/1072371367.db2.gz KRKAMTDHANVDFE-FHLIZLRMSA-N 0 0 427.527 0.076 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CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)N(C)C)CCOC1 ZINC001547900677 1072381353 /nfs/dbraw/zinc/38/13/53/1072381353.db2.gz KMDWUCCZVXDMEQ-RTBURBONSA-N 0 0 440.570 0.952 20 30 ICEDRN CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCNC(C)=O)CCOC1 ZINC001547916698 1072388162 /nfs/dbraw/zinc/38/81/62/1072388162.db2.gz YUWPMZSNCDEZTM-GHTZIAJQSA-N 0 0 431.541 0.633 20 30 ICEDRN CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCNC(C)=O)CCOC1 ZINC001547916700 1072388051 /nfs/dbraw/zinc/38/80/51/1072388051.db2.gz YUWPMZSNCDEZTM-NQIIRXRSSA-N 0 0 431.541 0.633 20 30 ICEDRN CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCNC(C)=O)CCOC1 ZINC001547916702 1072388139 /nfs/dbraw/zinc/38/81/39/1072388139.db2.gz YUWPMZSNCDEZTM-RXVVDRJESA-N 0 0 431.541 0.633 20 30 ICEDRN CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCNC(C)=O)CCOC1 ZINC001547916704 1072387999 /nfs/dbraw/zinc/38/79/99/1072387999.db2.gz YUWPMZSNCDEZTM-WIYYLYMNSA-N 0 0 431.541 0.633 20 30 ICEDRN 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ZINC001569262653 1071977059 /nfs/dbraw/zinc/97/70/59/1071977059.db2.gz JDDUNWZZWVRWSY-ZDUSSCGKSA-N 0 0 440.522 0.459 20 30 ICEDRN NC(=O)COc1cccc2c1CCCN2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC001569370950 1071980187 /nfs/dbraw/zinc/98/01/87/1071980187.db2.gz GUVWEUYSLLTTHF-UHFFFAOYSA-N 0 0 442.497 0.959 20 30 ICEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)C[C@H]1C1CC1 ZINC001569382015 1071980203 /nfs/dbraw/zinc/98/02/03/1071980203.db2.gz DUTYHQIEPXLUBZ-HNNXBMFYSA-N 0 0 425.532 0.541 20 30 ICEDRN O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCS(=O)(=O)C[C@@H]1C1CC1 ZINC001569382016 1071980138 /nfs/dbraw/zinc/98/01/38/1071980138.db2.gz DUTYHQIEPXLUBZ-OAHLLOKOSA-N 0 0 425.532 0.541 20 30 ICEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001569500881 1071983396 /nfs/dbraw/zinc/98/33/96/1071983396.db2.gz ABKLUHGJVORJJH-DZGCQCFKSA-N 0 0 433.511 0.912 20 30 ICEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC001569500882 1071983352 /nfs/dbraw/zinc/98/33/52/1071983352.db2.gz ABKLUHGJVORJJH-HIFRSBDPSA-N 0 0 433.511 0.912 20 30 ICEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 ZINC001569500883 1071983503 /nfs/dbraw/zinc/98/35/03/1071983503.db2.gz ABKLUHGJVORJJH-UKRRQHHQSA-N 0 0 433.511 0.912 20 30 ICEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 ZINC001569500884 1071983472 /nfs/dbraw/zinc/98/34/72/1071983472.db2.gz ABKLUHGJVORJJH-ZFWWWQNUSA-N 0 0 433.511 0.912 20 30 ICEDRN CC(C)(C)OC(=O)N1CCO[C@@](C(=O)N[C@@H]2CCN(O)C2=O)(C(=O)OC(C)(C)C)C1 ZINC001569560545 1071984402 /nfs/dbraw/zinc/98/44/02/1071984402.db2.gz KIJOGAYEIKNRRW-BLVKFPJESA-N 0 0 429.470 0.441 20 30 ICEDRN CC(C)(C)OC(=O)N1CCO[C@@](C(=O)N[C@H]2CCN(O)C2=O)(C(=O)OC(C)(C)C)C1 ZINC001569560546 1071984451 /nfs/dbraw/zinc/98/44/51/1071984451.db2.gz KIJOGAYEIKNRRW-BUXKBTBVSA-N 0 0 429.470 0.441 20 30 ICEDRN CC(C)(C)OC(=O)N1CCO[C@](C(=O)N[C@@H]2CCN(O)C2=O)(C(=O)OC(C)(C)C)C1 ZINC001569560547 1071984514 /nfs/dbraw/zinc/98/45/14/1071984514.db2.gz KIJOGAYEIKNRRW-CWTRNNRKSA-N 0 0 429.470 0.441 20 30 ICEDRN CC(C)(C)OC(=O)N1CCO[C@](C(=O)N[C@H]2CCN(O)C2=O)(C(=O)OC(C)(C)C)C1 ZINC001569560548 1071984366 /nfs/dbraw/zinc/98/43/66/1071984366.db2.gz KIJOGAYEIKNRRW-HXPMCKFVSA-N 0 0 429.470 0.441 20 30 ICEDRN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H]3CCN(O)C3=O)c2)CC1 ZINC001569560763 1071984438 /nfs/dbraw/zinc/98/44/38/1071984438.db2.gz MGTMTOGFHDKZGK-HNNXBMFYSA-N 0 0 430.914 0.386 20 30 ICEDRN CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H]3CCN(O)C3=O)c2)CC1 ZINC001569560764 1071984979 /nfs/dbraw/zinc/98/49/79/1071984979.db2.gz MGTMTOGFHDKZGK-OAHLLOKOSA-N 0 0 430.914 0.386 20 30 ICEDRN CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@H]2CCN(O)C2=O)cc1 ZINC001569561006 1071985038 /nfs/dbraw/zinc/98/50/38/1071985038.db2.gz ODGJSNGLBFYCFG-CVEARBPZSA-N 0 0 439.534 0.624 20 30 ICEDRN CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]2CCN(O)C2=O)cc1 ZINC001569561009 1071984838 /nfs/dbraw/zinc/98/48/38/1071984838.db2.gz ODGJSNGLBFYCFG-HOTGVXAUSA-N 0 0 439.534 0.624 20 30 ICEDRN CC(C)(C)c1ccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@@H]2CCN(O)C2=O)cc1 ZINC001569561011 1071984931 /nfs/dbraw/zinc/98/49/31/1071984931.db2.gz ODGJSNGLBFYCFG-HZPDHXFCSA-N 0 0 439.534 0.624 20 30 ICEDRN CC(C)(C)c1ccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H]2CCN(O)C2=O)cc1 ZINC001569561013 1071984866 /nfs/dbraw/zinc/98/48/66/1071984866.db2.gz ODGJSNGLBFYCFG-JKSUJKDBSA-N 0 0 439.534 0.624 20 30 ICEDRN O=C(N[C@@H]1CCN(O)C1=O)c1cc(I)ccc1N1CCOCC1 ZINC001569564061 1071984968 /nfs/dbraw/zinc/98/49/68/1071984968.db2.gz NHZUCSVDQVKBBF-GFCCVEGCSA-N 0 0 431.230 0.848 20 30 ICEDRN O=C(N[C@H]1CCN(O)C1=O)c1cc(I)ccc1N1CCOCC1 ZINC001569564062 1071984913 /nfs/dbraw/zinc/98/49/13/1071984913.db2.gz NHZUCSVDQVKBBF-LBPRGKRZSA-N 0 0 431.230 0.848 20 30 ICEDRN C#C[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC ZINC001569717814 1071988525 /nfs/dbraw/zinc/98/85/25/1071988525.db2.gz NUFZWNHWWOIDBK-INIZCTEOSA-N 0 0 448.545 0.510 20 30 ICEDRN C#C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC ZINC001569717815 1071988581 /nfs/dbraw/zinc/98/85/81/1071988581.db2.gz NUFZWNHWWOIDBK-MRXNPFEDSA-N 0 0 448.545 0.510 20 30 ICEDRN COCCOc1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 ZINC001569863535 1071990599 /nfs/dbraw/zinc/99/05/99/1071990599.db2.gz SFCSDVREDXDMRS-CYBMUJFWSA-N 0 0 433.490 0.635 20 30 ICEDRN COCCOc1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 ZINC001569863536 1071990671 /nfs/dbraw/zinc/99/06/71/1071990671.db2.gz SFCSDVREDXDMRS-ZDUSSCGKSA-N 0 0 433.490 0.635 20 30 ICEDRN Cc1nsc(N2CCN(C(=O)CNc3ccc(S(N)(=O)=O)cc3F)CC2)c1C#N ZINC001569887853 1071990584 /nfs/dbraw/zinc/99/05/84/1071990584.db2.gz KWNBLTVXLWCYHG-UHFFFAOYSA-N 0 0 438.510 0.870 20 30 ICEDRN COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N(CC#N)CCOC)c1 ZINC001570082870 1071995084 /nfs/dbraw/zinc/99/50/84/1071995084.db2.gz HUXLZGIBKTZBME-UHFFFAOYSA-N 0 0 434.312 0.986 20 30 ICEDRN CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC001570154823 1071998131 /nfs/dbraw/zinc/99/81/31/1071998131.db2.gz XMAARTYGZYTHKK-HNNXBMFYSA-N 0 0 438.506 0.589 20 30 ICEDRN CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC001570154824 1071998164 /nfs/dbraw/zinc/99/81/64/1071998164.db2.gz XMAARTYGZYTHKK-OAHLLOKOSA-N 0 0 438.506 0.589 20 30 ICEDRN CC(C)NS(=O)(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 ZINC001570239232 1072002497 /nfs/dbraw/zinc/00/24/97/1072002497.db2.gz KAWUUFROPXQWTC-UHFFFAOYSA-N 0 0 432.499 0.124 20 30 ICEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 ZINC001570246802 1072004560 /nfs/dbraw/zinc/00/45/60/1072004560.db2.gz KMXLAZGABCEHDR-PBHICJAKSA-N 0 0 437.518 0.757 20 30 ICEDRN C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 ZINC001570246803 1072004398 /nfs/dbraw/zinc/00/43/98/1072004398.db2.gz KMXLAZGABCEHDR-RHSMWYFYSA-N 0 0 437.518 0.757 20 30 ICEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 ZINC001570246804 1072004407 /nfs/dbraw/zinc/00/44/07/1072004407.db2.gz KMXLAZGABCEHDR-WMLDXEAASA-N 0 0 437.518 0.757 20 30 ICEDRN C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 ZINC001570246805 1072004531 /nfs/dbraw/zinc/00/45/31/1072004531.db2.gz KMXLAZGABCEHDR-YOEHRIQHSA-N 0 0 437.518 0.757 20 30 ICEDRN CCOC(=O)CON=C(C(=O)NC1CN(C(=O)OCc2ccccc2)C1)c1cc[nH]n1 ZINC001570267756 1072005381 /nfs/dbraw/zinc/00/53/81/1072005381.db2.gz AYZASDMCPSXHTR-UHFFFAOYSA-N 0 0 429.433 0.831 20 30 ICEDRN C#CCN(CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001570283525 1072006295 /nfs/dbraw/zinc/00/62/95/1072006295.db2.gz KNVXJBGKKQJSOW-AWEZNQCLSA-N 0 0 430.523 0.824 20 30 ICEDRN C#CCN(CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001570283528 1072006931 /nfs/dbraw/zinc/00/69/31/1072006931.db2.gz KNVXJBGKKQJSOW-CQSZACIVSA-N 0 0 430.523 0.824 20 30 ICEDRN C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)c1 ZINC001570297379 1072006778 /nfs/dbraw/zinc/00/67/78/1072006778.db2.gz DYYPCYCEHRUPEX-UHFFFAOYSA-N 0 0 425.513 0.778 20 30 ICEDRN C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1 ZINC001570311491 1072007378 /nfs/dbraw/zinc/00/73/78/1072007378.db2.gz OIMVOTYGUCCQKR-UHFFFAOYSA-N 0 0 427.548 0.791 20 30 ICEDRN N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1 ZINC001570311722 1072007287 /nfs/dbraw/zinc/00/72/87/1072007287.db2.gz UBIDDRDNUMAPDF-UHFFFAOYSA-N 0 0 425.532 0.500 20 30 ICEDRN CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2ccc(C#N)c(F)c2)c1 ZINC001570339788 1072010207 /nfs/dbraw/zinc/01/02/07/1072010207.db2.gz PYRXPTYAMZMYOW-UHFFFAOYSA-N 0 0 425.463 0.696 20 30 ICEDRN C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCCn2cnc3c2ncnc3N)c1 ZINC001570455270 1072014694 /nfs/dbraw/zinc/01/46/94/1072014694.db2.gz UOJHHUKYCFSJBO-UHFFFAOYSA-N 0 0 427.490 0.482 20 30 ICEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)Cc1cnn(C)c1 ZINC001570475728 1072016281 /nfs/dbraw/zinc/01/62/81/1072016281.db2.gz OVISIOOSYOFDLJ-RDJZCZTQSA-N 0 0 433.534 0.737 20 30 ICEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)Cc1cnn(C)c1 ZINC001570475729 1072016555 /nfs/dbraw/zinc/01/65/55/1072016555.db2.gz OVISIOOSYOFDLJ-WBVHZDCISA-N 0 0 433.534 0.737 20 30 ICEDRN O=C(CCNC(=O)C1N=CC=CC1=O)NCc1ccc(CN2CCS(=O)CC2)cc1 ZINC001570537824 1072019898 /nfs/dbraw/zinc/01/98/98/1072019898.db2.gz HCUIPZBKRPXVAH-MRCUWXFGSA-N 0 0 430.530 0.784 20 30 ICEDRN O=C(CCNC(=O)C1N=CC=CC1=O)NCc1ccc(CN2CCS(=O)CC2)cc1 ZINC001570537825 1072019671 /nfs/dbraw/zinc/01/96/71/1072019671.db2.gz HCUIPZBKRPXVAH-QZQOTICOSA-N 0 0 430.530 0.784 20 30 ICEDRN CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 ZINC001570654243 1072025724 /nfs/dbraw/zinc/02/57/24/1072025724.db2.gz HGQHKQUJQWMACE-UHFFFAOYSA-N 0 0 426.498 0.940 20 30 ICEDRN N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1 ZINC001570654334 1072025693 /nfs/dbraw/zinc/02/56/93/1072025693.db2.gz LQLYDMZYQDRQDD-UHFFFAOYSA-N 0 0 431.449 0.579 20 30 ICEDRN C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)s1 ZINC001570654412 1072025505 /nfs/dbraw/zinc/02/55/05/1072025505.db2.gz PHRTZCGXMDNDDC-UHFFFAOYSA-N 0 0 449.558 0.598 20 30 ICEDRN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CC[C@@](O)(CC#N)C3)ccc2F)CC1 ZINC001570696051 1072027400 /nfs/dbraw/zinc/02/74/00/1072027400.db2.gz ZZUQQYNTZPSXIO-IBGZPJMESA-N 0 0 438.481 0.169 20 30 ICEDRN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CC[C@](O)(CC#N)C3)ccc2F)CC1 ZINC001570696052 1072027504 /nfs/dbraw/zinc/02/75/04/1072027504.db2.gz ZZUQQYNTZPSXIO-LJQANCHMSA-N 0 0 438.481 0.169 20 30 ICEDRN C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2[nH]cnc2[C@H]1c1ccnn1C ZINC001570741076 1072029332 /nfs/dbraw/zinc/02/93/32/1072029332.db2.gz BOKRCFDOQUMDET-BFUOFWGJSA-N 0 0 439.501 0.856 20 30 ICEDRN C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2[nH]cnc2[C@@H]1c1ccnn1C ZINC001570741077 1072029197 /nfs/dbraw/zinc/02/91/97/1072029197.db2.gz BOKRCFDOQUMDET-DJJJIMSYSA-N 0 0 439.501 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C#CCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001587847562 1072291828 /nfs/dbraw/zinc/29/18/28/1072291828.db2.gz NNUGCXAZTWRSBS-QGZVFWFLSA-N 0 0 435.488 0.557 20 30 ICEDRN C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001587851334 1072291993 /nfs/dbraw/zinc/29/19/93/1072291993.db2.gz IHNHFIRGTKZISY-NEWSRXKRSA-N 0 0 427.553 0.631 20 30 ICEDRN C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001587851335 1072291870 /nfs/dbraw/zinc/29/18/70/1072291870.db2.gz IHNHFIRGTKZISY-NZSAHSFTSA-N 0 0 427.553 0.631 20 30 ICEDRN C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001587851336 1072291964 /nfs/dbraw/zinc/29/19/64/1072291964.db2.gz IHNHFIRGTKZISY-WDSOQIARSA-N 0 0 427.553 0.631 20 30 ICEDRN C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001587851338 1072291797 /nfs/dbraw/zinc/29/17/97/1072291797.db2.gz IHNHFIRGTKZISY-YTQUADARSA-N 0 0 427.553 0.631 20 30 ICEDRN C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCNS(C)(=O)=O ZINC001587856117 1072292641 /nfs/dbraw/zinc/29/26/41/1072292641.db2.gz HFZJCXPSPPVSLP-UHFFFAOYSA-N 0 0 446.581 0.851 20 30 ICEDRN C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001587856729 1072292636 /nfs/dbraw/zinc/29/26/36/1072292636.db2.gz QMNNEJCDQUZMPT-CRAIPNDOSA-N 0 0 426.564 0.609 20 30 ICEDRN C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001587856730 1072292598 /nfs/dbraw/zinc/29/25/98/1072292598.db2.gz QMNNEJCDQUZMPT-MAUKXSAKSA-N 0 0 426.564 0.609 20 30 ICEDRN C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001587856731 1072292507 /nfs/dbraw/zinc/29/25/07/1072292507.db2.gz QMNNEJCDQUZMPT-QAPCUYQASA-N 0 0 426.564 0.609 20 30 ICEDRN C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001587856732 1072292448 /nfs/dbraw/zinc/29/24/48/1072292448.db2.gz QMNNEJCDQUZMPT-YJBOKZPZSA-N 0 0 426.564 0.609 20 30 ICEDRN C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC001587862597 1072293067 /nfs/dbraw/zinc/29/30/67/1072293067.db2.gz XEJYPRDLDUPQRV-CABCVRRESA-N 0 0 434.522 0.066 20 30 ICEDRN C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC001587862598 1072293301 /nfs/dbraw/zinc/29/33/01/1072293301.db2.gz XEJYPRDLDUPQRV-GJZGRUSLSA-N 0 0 434.522 0.066 20 30 ICEDRN C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC001587862599 1072293801 /nfs/dbraw/zinc/29/38/01/1072293801.db2.gz XEJYPRDLDUPQRV-HUUCEWRRSA-N 0 0 434.522 0.066 20 30 ICEDRN C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC001587862600 1072293727 /nfs/dbraw/zinc/29/37/27/1072293727.db2.gz XEJYPRDLDUPQRV-LSDHHAIUSA-N 0 0 434.522 0.066 20 30 ICEDRN C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 ZINC001587864992 1072294081 /nfs/dbraw/zinc/29/40/81/1072294081.db2.gz FFYVWGNTEAAYJX-UHFFFAOYSA-N 0 0 433.520 0.926 20 30 ICEDRN COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC001587867760 1072294854 /nfs/dbraw/zinc/29/48/54/1072294854.db2.gz DATKSWWLQOXYNY-HNNXBMFYSA-N 0 0 442.515 0.566 20 30 ICEDRN COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC001587867761 1072294715 /nfs/dbraw/zinc/29/47/15/1072294715.db2.gz DATKSWWLQOXYNY-OAHLLOKOSA-N 0 0 442.515 0.566 20 30 ICEDRN C#CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 ZINC001587894296 1072295163 /nfs/dbraw/zinc/29/51/63/1072295163.db2.gz RXLYFDACMCZFRE-HRAATJIYSA-N 0 0 430.509 0.816 20 30 ICEDRN C#CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 ZINC001587894299 1072295099 /nfs/dbraw/zinc/29/50/99/1072295099.db2.gz RXLYFDACMCZFRE-IERDGZPVSA-N 0 0 430.509 0.816 20 30 ICEDRN C#CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 ZINC001587894301 1072295140 /nfs/dbraw/zinc/29/51/40/1072295140.db2.gz RXLYFDACMCZFRE-IIBYNOLFSA-N 0 0 430.509 0.816 20 30 ICEDRN C#CCCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 ZINC001587894303 1072295133 /nfs/dbraw/zinc/29/51/33/1072295133.db2.gz RXLYFDACMCZFRE-KKSFZXQISA-N 0 0 430.509 0.816 20 30 ICEDRN C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)C1(OC)CCOCC1 ZINC001587908988 1072295577 /nfs/dbraw/zinc/29/55/77/1072295577.db2.gz ANHWNYAXQHOQCN-CYBMUJFWSA-N 0 0 435.497 0.789 20 30 ICEDRN C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)C1(OC)CCOCC1 ZINC001587908989 1072295635 /nfs/dbraw/zinc/29/56/35/1072295635.db2.gz ANHWNYAXQHOQCN-ZDUSSCGKSA-N 0 0 435.497 0.789 20 30 ICEDRN C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 ZINC001587909097 1072295672 /nfs/dbraw/zinc/29/56/72/1072295672.db2.gz CRXHMPMHZCGMRV-AWEZNQCLSA-N 0 0 425.536 0.432 20 30 ICEDRN C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCS(=O)(=O)c1ccccc1 ZINC001587909098 1072295547 /nfs/dbraw/zinc/29/55/47/1072295547.db2.gz CRXHMPMHZCGMRV-CQSZACIVSA-N 0 0 425.536 0.432 20 30 ICEDRN C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNc1nccc(C(F)(F)F)n1 ZINC001587909219 1072295708 /nfs/dbraw/zinc/29/57/08/1072295708.db2.gz HAEVBJWPULAKJG-LLVKDONJSA-N 0 0 446.459 0.879 20 30 ICEDRN C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNc1nccc(C(F)(F)F)n1 ZINC001587909220 1072295595 /nfs/dbraw/zinc/29/55/95/1072295595.db2.gz HAEVBJWPULAKJG-NSHDSACASA-N 0 0 446.459 0.879 20 30 ICEDRN C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 ZINC001587909376 1072295608 /nfs/dbraw/zinc/29/56/08/1072295608.db2.gz JRYAQUVKGCVKBK-INIZCTEOSA-N 0 0 432.550 0.843 20 30 ICEDRN C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1N1CCOCC1 ZINC001587909377 1072295655 /nfs/dbraw/zinc/29/56/55/1072295655.db2.gz JRYAQUVKGCVKBK-MRXNPFEDSA-N 0 0 432.550 0.843 20 30 ICEDRN C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001587909989 1072296016 /nfs/dbraw/zinc/29/60/16/1072296016.db2.gz ZDKUNFLOCGPTAY-HNNXBMFYSA-N 0 0 432.550 0.902 20 30 ICEDRN C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)N(C)C)c1 ZINC001587909990 1072296020 /nfs/dbraw/zinc/29/60/20/1072296020.db2.gz ZDKUNFLOCGPTAY-OAHLLOKOSA-N 0 0 432.550 0.902 20 30 ICEDRN C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C ZINC001587910003 1072296096 /nfs/dbraw/zinc/29/60/96/1072296096.db2.gz ZRRMYUOFFOWEHJ-CYBMUJFWSA-N 0 0 431.522 0.901 20 30 ICEDRN C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2cc(OC)ccc2n1C ZINC001587910004 1072296155 /nfs/dbraw/zinc/29/61/55/1072296155.db2.gz ZRRMYUOFFOWEHJ-ZDUSSCGKSA-N 0 0 431.522 0.901 20 30 ICEDRN C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001587926995 1072296149 /nfs/dbraw/zinc/29/61/49/1072296149.db2.gz OWFNKAATDOXQJH-HNNXBMFYSA-N 0 0 428.312 0.655 20 30 ICEDRN C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001587926996 1072296085 /nfs/dbraw/zinc/29/60/85/1072296085.db2.gz OWFNKAATDOXQJH-OAHLLOKOSA-N 0 0 428.312 0.655 20 30 ICEDRN C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCC1CC1 ZINC001587932020 1072296555 /nfs/dbraw/zinc/29/65/55/1072296555.db2.gz JGCYUGVEKDNAPR-UHFFFAOYSA-N 0 0 430.534 0.791 20 30 ICEDRN C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC[C@H](CO)O1 ZINC001587932123 1072296513 /nfs/dbraw/zinc/29/65/13/1072296513.db2.gz LXAWPZUCHIHXFL-DLBZAZTESA-N 0 0 433.534 0.805 20 30 ICEDRN C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCNC(=O)C1CC1 ZINC001587932634 1072296603 /nfs/dbraw/zinc/29/66/03/1072296603.db2.gz XQGSDKADXNKXRN-UHFFFAOYSA-N 0 0 430.534 0.791 20 30 ICEDRN C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001587944821 1072297049 /nfs/dbraw/zinc/29/70/49/1072297049.db2.gz CVGHRSVEVCJEOT-UHFFFAOYSA-N 0 0 434.518 0.971 20 30 ICEDRN C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCS(=O)(=O)CC1 ZINC001587957559 1072297484 /nfs/dbraw/zinc/29/74/84/1072297484.db2.gz GXWIULZQHOLWQT-UHFFFAOYSA-N 0 0 432.502 0.725 20 30 ICEDRN C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1Cc1ccc(C(N)=O)nc1 ZINC001587975012 1072298374 /nfs/dbraw/zinc/29/83/74/1072298374.db2.gz JRZRBDGKJJXFKW-UHFFFAOYSA-N 0 0 428.456 0.804 20 30 ICEDRN C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc32)n1CCNS(C)(=O)=O ZINC001587975167 1072298333 /nfs/dbraw/zinc/29/83/33/1072298333.db2.gz QIWUIRCIJNUWIQ-UHFFFAOYSA-N 0 0 443.533 0.684 20 30 ICEDRN C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CCNS(=O)(=O)CC ZINC001587975242 1072298314 /nfs/dbraw/zinc/29/83/14/1072298314.db2.gz UBAROOJKIRKXNI-UHFFFAOYSA-N 0 0 443.533 0.684 20 30 ICEDRN C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc32)n1CCC[C@@H]1NC(=O)NC1=O ZINC001587975243 1072298481 /nfs/dbraw/zinc/29/84/81/1072298481.db2.gz UBSLWJTXOBQUDZ-INIZCTEOSA-N 0 0 448.487 0.733 20 30 ICEDRN C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc32)n1CCS(=O)(=O)N(C)C ZINC001587975298 1072298400 /nfs/dbraw/zinc/29/84/00/1072298400.db2.gz WQBGUKUGJAWOME-UHFFFAOYSA-N 0 0 429.506 0.153 20 30 ICEDRN C#CCN(C)c1nnc(-c2n[nH]c(=O)c3ccccc32)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001587978917 1072298862 /nfs/dbraw/zinc/29/88/62/1072298862.db2.gz CTZFOSPTAXNHPU-AWEZNQCLSA-N 0 0 441.517 0.945 20 30 ICEDRN 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429.546 0.992 20 30 ICEDRN C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nnc(CC)s2)CC1 ZINC001588811350 1072341176 /nfs/dbraw/zinc/34/11/76/1072341176.db2.gz HJPFEKAXRBPSHU-AWEZNQCLSA-N 0 0 435.579 0.398 20 30 ICEDRN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nnc(CC)s2)CC1 ZINC001588811351 1072341119 /nfs/dbraw/zinc/34/11/19/1072341119.db2.gz HJPFEKAXRBPSHU-CQSZACIVSA-N 0 0 435.579 0.398 20 30 ICEDRN C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001588811385 1072341170 /nfs/dbraw/zinc/34/11/70/1072341170.db2.gz IBPBNBOSXUIJON-GOSISDBHSA-N 0 0 444.561 0.427 20 30 ICEDRN C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001588811386 1072341199 /nfs/dbraw/zinc/34/11/99/1072341199.db2.gz IBPBNBOSXUIJON-SFHVURJKSA-N 0 0 444.561 0.427 20 30 ICEDRN C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2c(C)noc2C)CC1 ZINC001588811582 1072341074 /nfs/dbraw/zinc/34/10/74/1072341074.db2.gz KYBVMJGQEOFBAY-KRWDZBQOSA-N 0 0 432.550 0.783 20 30 ICEDRN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2c(C)noc2C)CC1 ZINC001588811589 1072341142 /nfs/dbraw/zinc/34/11/42/1072341142.db2.gz KYBVMJGQEOFBAY-QGZVFWFLSA-N 0 0 432.550 0.783 20 30 ICEDRN C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001588812469 1072341227 /nfs/dbraw/zinc/34/12/27/1072341227.db2.gz RSAFAQHOMKTBDH-KRWDZBQOSA-N 0 0 446.552 0.831 20 30 ICEDRN C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 ZINC001588812474 1072341148 /nfs/dbraw/zinc/34/11/48/1072341148.db2.gz RSAFAQHOMKTBDH-QGZVFWFLSA-N 0 0 446.552 0.831 20 30 ICEDRN C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 ZINC001588813303 1072341696 /nfs/dbraw/zinc/34/16/96/1072341696.db2.gz WYDJUNWYXNWMCD-GOSISDBHSA-N 0 0 442.545 0.083 20 30 ICEDRN C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 ZINC001588813304 1072341659 /nfs/dbraw/zinc/34/16/59/1072341659.db2.gz WYDJUNWYXNWMCD-SFHVURJKSA-N 0 0 442.545 0.083 20 30 ICEDRN 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C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)N2CCOCC2)CC1 ZINC001588848585 1072342257 /nfs/dbraw/zinc/34/22/57/1072342257.db2.gz IYZDRIYMDIRQST-UHFFFAOYSA-N 0 0 426.496 0.622 20 30 ICEDRN C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN(CC)S(C)(=O)=O)CC1 ZINC001588848678 1072342366 /nfs/dbraw/zinc/34/23/66/1072342366.db2.gz KRZMOCASZBOYGE-UHFFFAOYSA-N 0 0 445.593 0.691 20 30 ICEDRN C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN(CC)S(C)(=O)=O)CC1 ZINC001588848685 1072342402 /nfs/dbraw/zinc/34/24/02/1072342402.db2.gz LAYIYLHTVJXZRW-UHFFFAOYSA-N 0 0 445.593 0.691 20 30 ICEDRN C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCNS(C)(=O)=O)CC1 ZINC001588848802 1072342122 /nfs/dbraw/zinc/34/21/22/1072342122.db2.gz NJDNRFZOGNPNQT-UHFFFAOYSA-N 0 0 434.541 0.703 20 30 ICEDRN C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(OCC(N)=O)c2)CC1 ZINC001588848820 1072342843 /nfs/dbraw/zinc/34/28/43/1072342843.db2.gz NRQQMMQABFKHFR-UHFFFAOYSA-N 0 0 445.527 0.932 20 30 ICEDRN C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC001588848840 1072342654 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AYEZEUCKMPPUAK-GOSISDBHSA-N 0 0 442.524 0.270 20 30 ICEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2COCCO2)CC1 ZINC001588968036 1072350489 /nfs/dbraw/zinc/35/04/89/1072350489.db2.gz FQHXBUZVAQMLSD-OTWHNJEPSA-N 0 0 447.536 0.383 20 30 ICEDRN C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001588968328 1072350475 /nfs/dbraw/zinc/35/04/75/1072350475.db2.gz IGBJICRPSTYXSC-UHFFFAOYSA-N 0 0 425.580 0.894 20 30 ICEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCC2)CC1 ZINC001588968678 1072350499 /nfs/dbraw/zinc/35/04/99/1072350499.db2.gz OVNFCQIVUCTJRV-ROUUACIJSA-N 0 0 431.537 0.883 20 30 ICEDRN C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ncn(C)n2)CC1 ZINC001588968771 1072350448 /nfs/dbraw/zinc/35/04/48/1072350448.db2.gz QALBBLYKHKPJAY-WMZOPIPTSA-N 0 0 442.524 0.145 20 30 ICEDRN C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001588968835 1072350507 /nfs/dbraw/zinc/35/05/07/1072350507.db2.gz QXUIEXIJEISTTJ-UHFFFAOYSA-N 0 0 440.595 0.399 20 30 ICEDRN 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/nfs/dbraw/zinc/37/34/35/1072373435.db2.gz DDCCBXPGADHQBE-CABCVRRESA-N 0 0 426.543 0.292 20 30 ICEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001594732447 1072373350 /nfs/dbraw/zinc/37/33/50/1072373350.db2.gz DDCCBXPGADHQBE-GJZGRUSLSA-N 0 0 426.543 0.292 20 30 ICEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@H]1CC ZINC001594732448 1072373427 /nfs/dbraw/zinc/37/34/27/1072373427.db2.gz DDCCBXPGADHQBE-HUUCEWRRSA-N 0 0 426.543 0.292 20 30 ICEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)[C@@H]1CC ZINC001594732449 1072373238 /nfs/dbraw/zinc/37/32/38/1072373238.db2.gz DDCCBXPGADHQBE-LSDHHAIUSA-N 0 0 426.543 0.292 20 30 ICEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001594732504 1072373451 /nfs/dbraw/zinc/37/34/51/1072373451.db2.gz FKFNLIZRPZCGGI-CABCVRRESA-N 0 0 426.543 0.244 20 30 ICEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001594732505 1072373360 /nfs/dbraw/zinc/37/33/60/1072373360.db2.gz FKFNLIZRPZCGGI-GJZGRUSLSA-N 0 0 426.543 0.244 20 30 ICEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001594732506 1072373295 /nfs/dbraw/zinc/37/32/95/1072373295.db2.gz FKFNLIZRPZCGGI-HUUCEWRRSA-N 0 0 426.543 0.244 20 30 ICEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001594732507 1072373381 /nfs/dbraw/zinc/37/33/81/1072373381.db2.gz FKFNLIZRPZCGGI-LSDHHAIUSA-N 0 0 426.543 0.244 20 30 ICEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001594732918 1072373370 /nfs/dbraw/zinc/37/33/70/1072373370.db2.gz JLEWAMOOZCNSAR-CVEARBPZSA-N 0 0 440.570 0.669 20 30 ICEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001594732919 1072373951 /nfs/dbraw/zinc/37/39/51/1072373951.db2.gz JLEWAMOOZCNSAR-HOTGVXAUSA-N 0 0 440.570 0.669 20 30 ICEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001594732920 1072373787 /nfs/dbraw/zinc/37/37/87/1072373787.db2.gz JLEWAMOOZCNSAR-HZPDHXFCSA-N 0 0 440.570 0.669 20 30 ICEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001594732921 1072373932 /nfs/dbraw/zinc/37/39/32/1072373932.db2.gz JLEWAMOOZCNSAR-JKSUJKDBSA-N 0 0 440.570 0.669 20 30 ICEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001594733313 1072373939 /nfs/dbraw/zinc/37/39/39/1072373939.db2.gz QUAYVQIIHZMDLX-APWZRJJASA-N 0 0 441.554 0.573 20 30 ICEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001594733314 1072373906 /nfs/dbraw/zinc/37/39/06/1072373906.db2.gz QUAYVQIIHZMDLX-LPHOPBHVSA-N 0 0 441.554 0.573 20 30 ICEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001594733315 1072373834 /nfs/dbraw/zinc/37/38/34/1072373834.db2.gz QUAYVQIIHZMDLX-QFBILLFUSA-N 0 0 441.554 0.573 20 30 ICEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001594733316 1072373780 /nfs/dbraw/zinc/37/37/80/1072373780.db2.gz QUAYVQIIHZMDLX-VQIMIIECSA-N 0 0 441.554 0.573 20 30 ICEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001594733325 1072373851 /nfs/dbraw/zinc/37/38/51/1072373851.db2.gz RAGWPMHPTHWSHH-CVEARBPZSA-N 0 0 438.554 0.388 20 30 ICEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001594733326 1072373884 /nfs/dbraw/zinc/37/38/84/1072373884.db2.gz RAGWPMHPTHWSHH-HOTGVXAUSA-N 0 0 438.554 0.388 20 30 ICEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001594733327 1072373822 /nfs/dbraw/zinc/37/38/22/1072373822.db2.gz RAGWPMHPTHWSHH-HZPDHXFCSA-N 0 0 438.554 0.388 20 30 ICEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001594733328 1072373875 /nfs/dbraw/zinc/37/38/75/1072373875.db2.gz RAGWPMHPTHWSHH-JKSUJKDBSA-N 0 0 438.554 0.388 20 30 ICEDRN C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 ZINC001594733659 1072373947 /nfs/dbraw/zinc/37/39/47/1072373947.db2.gz WYQKERZZRAEPJA-INIZCTEOSA-N 0 0 440.570 0.669 20 30 ICEDRN C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 ZINC001594733660 1072373804 /nfs/dbraw/zinc/37/38/04/1072373804.db2.gz WYQKERZZRAEPJA-MRXNPFEDSA-N 0 0 440.570 0.669 20 30 ICEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001594783846 1072374936 /nfs/dbraw/zinc/37/49/36/1072374936.db2.gz KEFONDLJAHFJTE-KBXCAEBGSA-N 0 0 426.543 0.197 20 30 ICEDRN C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001594783847 1072375008 /nfs/dbraw/zinc/37/50/08/1072375008.db2.gz KEFONDLJAHFJTE-KDOFPFPSSA-N 0 0 426.543 0.197 20 30 ICEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 ZINC001594783848 1072374760 /nfs/dbraw/zinc/37/47/60/1072374760.db2.gz KEFONDLJAHFJTE-KSSFIOAISA-N 0 0 426.543 0.197 20 30 ICEDRN C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 ZINC001594783849 1072374998 /nfs/dbraw/zinc/37/49/98/1072374998.db2.gz KEFONDLJAHFJTE-RDTXWAMCSA-N 0 0 426.543 0.197 20 30 ICEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001594784006 1072374977 /nfs/dbraw/zinc/37/49/77/1072374977.db2.gz OCCLZTPCXNUDMF-ARFHVFGLSA-N 0 0 440.570 0.728 20 30 ICEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001594784007 1072374801 /nfs/dbraw/zinc/37/48/01/1072374801.db2.gz OCCLZTPCXNUDMF-HRCADAONSA-N 0 0 440.570 0.728 20 30 ICEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001594784008 1072375047 /nfs/dbraw/zinc/37/50/47/1072375047.db2.gz OCCLZTPCXNUDMF-JYJNAYRXSA-N 0 0 440.570 0.728 20 30 ICEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001594784009 1072374896 /nfs/dbraw/zinc/37/48/96/1072374896.db2.gz OCCLZTPCXNUDMF-XHSDSOJGSA-N 0 0 440.570 0.728 20 30 ICEDRN C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001594784010 1072375325 /nfs/dbraw/zinc/37/53/25/1072375325.db2.gz ODVGHPJGIYXSFS-WMZOPIPTSA-N 0 0 446.552 0.896 20 30 ICEDRN C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001594784157 1072375494 /nfs/dbraw/zinc/37/54/94/1072375494.db2.gz SJVGXPLEJVHIGH-CABCVRRESA-N 0 0 426.543 0.292 20 30 ICEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001594784158 1072375301 /nfs/dbraw/zinc/37/53/01/1072375301.db2.gz SJVGXPLEJVHIGH-GJZGRUSLSA-N 0 0 426.543 0.292 20 30 ICEDRN C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001594784159 1072375420 /nfs/dbraw/zinc/37/54/20/1072375420.db2.gz SJVGXPLEJVHIGH-HUUCEWRRSA-N 0 0 426.543 0.292 20 30 ICEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001594784160 1072375314 /nfs/dbraw/zinc/37/53/14/1072375314.db2.gz SJVGXPLEJVHIGH-LSDHHAIUSA-N 0 0 426.543 0.292 20 30 ICEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC001594784202 1072375489 /nfs/dbraw/zinc/37/54/89/1072375489.db2.gz ULTIUIGJJWHFOA-BXWFABGCSA-N 0 0 443.570 0.865 20 30 ICEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC001594784203 1072375370 /nfs/dbraw/zinc/37/53/70/1072375370.db2.gz ULTIUIGJJWHFOA-FCEWJHQRSA-N 0 0 443.570 0.865 20 30 ICEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC001594784204 1072375383 /nfs/dbraw/zinc/37/53/83/1072375383.db2.gz ULTIUIGJJWHFOA-FRQCXROJSA-N 0 0 443.570 0.865 20 30 ICEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 ZINC001594784205 1072375469 /nfs/dbraw/zinc/37/54/69/1072375469.db2.gz ULTIUIGJJWHFOA-TXPKVOOTSA-N 0 0 443.570 0.865 20 30 ICEDRN C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001594784258 1072375407 /nfs/dbraw/zinc/37/54/07/1072375407.db2.gz VJVSXXWUSPHYHK-UHFFFAOYSA-N 0 0 449.556 0.182 20 30 ICEDRN C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 ZINC001594784289 1072375337 /nfs/dbraw/zinc/37/53/37/1072375337.db2.gz VZDMPOHHKJXFOT-AWEZNQCLSA-N 0 0 430.531 0.369 20 30 ICEDRN C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 ZINC001594784290 1072375360 /nfs/dbraw/zinc/37/53/60/1072375360.db2.gz VZDMPOHHKJXFOT-CQSZACIVSA-N 0 0 430.531 0.369 20 30 ICEDRN C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001594803284 1072376338 /nfs/dbraw/zinc/37/63/38/1072376338.db2.gz REXMXSPWRZNVHK-UHFFFAOYSA-N 0 0 442.524 0.199 20 30 ICEDRN C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001594812024 1072376217 /nfs/dbraw/zinc/37/62/17/1072376217.db2.gz BOMPSJBFGYANCL-DLBZAZTESA-N 0 0 441.554 0.114 20 30 ICEDRN C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CNC(C)=O)C1 ZINC001594812026 1072376355 /nfs/dbraw/zinc/37/63/55/1072376355.db2.gz BOMPSJBFGYANCL-IAGOWNOFSA-N 0 0 441.554 0.114 20 30 ICEDRN C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001594812027 1072376266 /nfs/dbraw/zinc/37/62/66/1072376266.db2.gz BOMPSJBFGYANCL-IRXDYDNUSA-N 0 0 441.554 0.114 20 30 ICEDRN C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CNC(C)=O)C1 ZINC001594812029 1072376175 /nfs/dbraw/zinc/37/61/75/1072376175.db2.gz BOMPSJBFGYANCL-SJORKVTESA-N 0 0 441.554 0.114 20 30 ICEDRN C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 ZINC001594812541 1072376255 /nfs/dbraw/zinc/37/62/55/1072376255.db2.gz HEYRWWFPXMMKOJ-KRWDZBQOSA-N 0 0 447.565 0.890 20 30 ICEDRN C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 ZINC001594812542 1072376196 /nfs/dbraw/zinc/37/61/96/1072376196.db2.gz HEYRWWFPXMMKOJ-QGZVFWFLSA-N 0 0 447.565 0.890 20 30 ICEDRN C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001594813124 1072376191 /nfs/dbraw/zinc/37/61/91/1072376191.db2.gz OVWZJJOMVXNBGW-INIZCTEOSA-N 0 0 441.554 0.068 20 30 ICEDRN C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)N1CCOCC1 ZINC001594813125 1072376314 /nfs/dbraw/zinc/37/63/14/1072376314.db2.gz OVWZJJOMVXNBGW-MRXNPFEDSA-N 0 0 441.554 0.068 20 30 ICEDRN C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 ZINC001594813145 1072376390 /nfs/dbraw/zinc/37/63/90/1072376390.db2.gz PGKKJPNRZZUARO-CVEARBPZSA-N 0 0 429.543 0.429 20 30 ICEDRN C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 ZINC001594813146 1072376301 /nfs/dbraw/zinc/37/63/01/1072376301.db2.gz PGKKJPNRZZUARO-HZPDHXFCSA-N 0 0 429.543 0.429 20 30 ICEDRN C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 ZINC001594813326 1072376694 /nfs/dbraw/zinc/37/66/94/1072376694.db2.gz QTDJLORCUWUBHJ-INIZCTEOSA-N 0 0 425.555 0.878 20 30 ICEDRN C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 ZINC001594813327 1072376804 /nfs/dbraw/zinc/37/68/04/1072376804.db2.gz QTDJLORCUWUBHJ-MRXNPFEDSA-N 0 0 425.555 0.878 20 30 ICEDRN C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 ZINC001594813623 1072376674 /nfs/dbraw/zinc/37/66/74/1072376674.db2.gz VIVJJBIYJCBOLP-DLBZAZTESA-N 0 0 443.570 0.819 20 30 ICEDRN C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 ZINC001594813625 1072376843 /nfs/dbraw/zinc/37/68/43/1072376843.db2.gz VIVJJBIYJCBOLP-IAGOWNOFSA-N 0 0 443.570 0.819 20 30 ICEDRN 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ABQZHVZKPXMXDC-CQSZACIVSA-N 0 0 428.559 0.396 20 30 ICEDRN C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC ZINC001594962088 1072378358 /nfs/dbraw/zinc/37/83/58/1072378358.db2.gz HTTHBXQQDMPSKW-AWEZNQCLSA-N 0 0 444.558 0.758 20 30 ICEDRN C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCS(=O)(=O)NC ZINC001594962089 1072378262 /nfs/dbraw/zinc/37/82/62/1072378262.db2.gz HTTHBXQQDMPSKW-CQSZACIVSA-N 0 0 444.558 0.758 20 30 ICEDRN C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 ZINC001594962158 1072378246 /nfs/dbraw/zinc/37/82/46/1072378246.db2.gz JAVIERDRVUWHGS-INIZCTEOSA-N 0 0 442.586 0.344 20 30 ICEDRN C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)N1CCOCC1 ZINC001594962159 1072378345 /nfs/dbraw/zinc/37/83/45/1072378345.db2.gz JAVIERDRVUWHGS-MRXNPFEDSA-N 0 0 442.586 0.344 20 30 ICEDRN C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS(=O)(=O)C1 ZINC001594963575 1072378218 /nfs/dbraw/zinc/37/82/18/1072378218.db2.gz VCADHIOXQSOPAU-CABCVRRESA-N 0 0 447.583 0.058 20 30 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C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)OC(C)(C)C ZINC001594963869 1072378860 /nfs/dbraw/zinc/37/88/60/1072378860.db2.gz YSKKZGLPOCCBEE-AWEZNQCLSA-N 0 0 444.558 0.758 20 30 ICEDRN C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCNC(=O)OC(C)(C)C ZINC001594963870 1072378877 /nfs/dbraw/zinc/37/88/77/1072378877.db2.gz YSKKZGLPOCCBEE-CQSZACIVSA-N 0 0 444.558 0.758 20 30 ICEDRN C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 ZINC001594963896 1072378741 /nfs/dbraw/zinc/37/87/41/1072378741.db2.gz ZIPSHJMSGZZHIV-INIZCTEOSA-N 0 0 440.570 0.682 20 30 ICEDRN C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=O)NC1CCCCC1 ZINC001594963897 1072378831 /nfs/dbraw/zinc/37/88/31/1072378831.db2.gz ZIPSHJMSGZZHIV-MRXNPFEDSA-N 0 0 440.570 0.682 20 30 ICEDRN C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(S(C)(=O)=O)CCC1 ZINC001594963923 1072378748 /nfs/dbraw/zinc/37/87/48/1072378748.db2.gz ZVBBQCCCFPHFFQ-AWEZNQCLSA-N 0 0 447.583 0.201 20 30 ICEDRN 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C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(OC)CCOC1)C1CC1 ZINC001595058139 1072380685 /nfs/dbraw/zinc/38/06/85/1072380685.db2.gz BOXKPNTXOKTAFT-LPHOPBHVSA-N 0 0 441.554 0.571 20 30 ICEDRN C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(OC)CCOC1)C1CC1 ZINC001595058140 1072380655 /nfs/dbraw/zinc/38/06/55/1072380655.db2.gz BOXKPNTXOKTAFT-QFBILLFUSA-N 0 0 441.554 0.571 20 30 ICEDRN C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(OC)CCOC1)C1CC1 ZINC001595058141 1072380519 /nfs/dbraw/zinc/38/05/19/1072380519.db2.gz BOXKPNTXOKTAFT-VQIMIIECSA-N 0 0 441.554 0.571 20 30 ICEDRN C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1)C1CC1 ZINC001595058154 1072380632 /nfs/dbraw/zinc/38/06/32/1072380632.db2.gz CBVNVUMEESFVOH-HNNXBMFYSA-N 0 0 436.542 0.435 20 30 ICEDRN C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1n[nH]c(C)n1)C1CC1 ZINC001595058155 1072380560 /nfs/dbraw/zinc/38/05/60/1072380560.db2.gz CBVNVUMEESFVOH-OAHLLOKOSA-N 0 0 436.542 0.435 20 30 ICEDRN 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0.201 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C ZINC001595806006 1072421760 /nfs/dbraw/zinc/42/17/60/1072421760.db2.gz ZCFMYLYYIUGAEX-LSDHHAIUSA-N 0 0 447.583 0.201 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2CCOC[C@H]2C1 ZINC001595811793 1072421744 /nfs/dbraw/zinc/42/17/44/1072421744.db2.gz AXWUZZADDXLUFM-GOSISDBHSA-N 0 0 432.550 0.386 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN2CCOC[C@@H]2C1 ZINC001595811794 1072421767 /nfs/dbraw/zinc/42/17/67/1072421767.db2.gz AXWUZZADDXLUFM-SFHVURJKSA-N 0 0 432.550 0.386 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001595811950 1072421687 /nfs/dbraw/zinc/42/16/87/1072421687.db2.gz IGRIHTXPHBOHDM-HNNXBMFYSA-N 0 0 443.533 0.429 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001595811951 1072421564 /nfs/dbraw/zinc/42/15/64/1072421564.db2.gz IGRIHTXPHBOHDM-OAHLLOKOSA-N 0 0 443.533 0.429 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NC)CC1 ZINC001595811968 1072421671 /nfs/dbraw/zinc/42/16/71/1072421671.db2.gz ITHZUJCADFTMMB-UHFFFAOYSA-N 0 0 432.550 0.827 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CC(N)=O)C1 ZINC001595812108 1072421623 /nfs/dbraw/zinc/42/16/23/1072421623.db2.gz NIMYRVQTZKYPGK-KRWDZBQOSA-N 0 0 432.550 0.957 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CC(N)=O)C1 ZINC001595812109 1072421578 /nfs/dbraw/zinc/42/15/78/1072421578.db2.gz NIMYRVQTZKYPGK-QGZVFWFLSA-N 0 0 432.550 0.957 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@]2(CCOC2)C1 ZINC001595812166 1072421632 /nfs/dbraw/zinc/42/16/32/1072421632.db2.gz OQZTWEMKVJMGDK-FQEVSTJZSA-N 0 0 433.534 0.860 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@]2(CCOC2)C1 ZINC001595812167 1072421577 /nfs/dbraw/zinc/42/15/77/1072421577.db2.gz OQZTWEMKVJMGDK-HXUWFJFHSA-N 0 0 433.534 0.860 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001595812177 1072421602 /nfs/dbraw/zinc/42/16/02/1072421602.db2.gz OUQRDAJTOOCDOQ-SJORKVTESA-N 0 0 446.533 0.799 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 ZINC001595812207 1072421549 /nfs/dbraw/zinc/42/15/49/1072421549.db2.gz PKIXRBUQSICTDD-GOSISDBHSA-N 0 0 428.580 0.846 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 ZINC001595812209 1072421611 /nfs/dbraw/zinc/42/16/11/1072421611.db2.gz PKIXRBUQSICTDD-SFHVURJKSA-N 0 0 428.580 0.846 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 ZINC001595812232 1072421582 /nfs/dbraw/zinc/42/15/82/1072421582.db2.gz PVWKFYDCJUADPB-INIZCTEOSA-N 0 0 439.563 0.488 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001595812234 1072421733 /nfs/dbraw/zinc/42/17/33/1072421733.db2.gz PVWKFYDCJUADPB-MRXNPFEDSA-N 0 0 439.563 0.488 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 ZINC001595812369 1072422289 /nfs/dbraw/zinc/42/22/89/1072422289.db2.gz QZKOHOPPUYKOED-DLBZAZTESA-N 0 0 430.534 0.580 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H]2CCC(=O)N[C@@H]2C1 ZINC001595812370 1072422278 /nfs/dbraw/zinc/42/22/78/1072422278.db2.gz QZKOHOPPUYKOED-IAGOWNOFSA-N 0 0 430.534 0.580 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H]2NC(=O)CC[C@H]2C1 ZINC001595812371 1072422332 /nfs/dbraw/zinc/42/23/32/1072422332.db2.gz QZKOHOPPUYKOED-IRXDYDNUSA-N 0 0 430.534 0.580 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 ZINC001595812372 1072422352 /nfs/dbraw/zinc/42/23/52/1072422352.db2.gz QZKOHOPPUYKOED-SJORKVTESA-N 0 0 430.534 0.580 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@H]1C ZINC001595812380 1072422222 /nfs/dbraw/zinc/42/22/22/1072422222.db2.gz RHKKAJUPYWGUCX-CYBMUJFWSA-N 0 0 438.579 0.902 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@@H]1C ZINC001595812381 1072422341 /nfs/dbraw/zinc/42/23/41/1072422341.db2.gz RHKKAJUPYWGUCX-ZDUSSCGKSA-N 0 0 438.579 0.902 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001595812407 1072422324 /nfs/dbraw/zinc/42/23/24/1072422324.db2.gz SGWAJCZFOIYHJZ-GOSISDBHSA-N 0 0 432.550 0.970 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001595812408 1072422313 /nfs/dbraw/zinc/42/23/13/1072422313.db2.gz SGWAJCZFOIYHJZ-SFHVURJKSA-N 0 0 432.550 0.970 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(CC(N)=O)CC1 ZINC001595812413 1072422343 /nfs/dbraw/zinc/42/23/43/1072422343.db2.gz SIZCLPOEVMPCTA-UHFFFAOYSA-N 0 0 432.550 0.957 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCN(CC)C(=O)C1 ZINC001595812433 1072422258 /nfs/dbraw/zinc/42/22/58/1072422258.db2.gz SWGDMDNXNIAZPV-UHFFFAOYSA-N 0 0 432.550 0.923 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001595812516 1072422304 /nfs/dbraw/zinc/42/23/04/1072422304.db2.gz XDAAFVWXLJJDQM-FUHWJXTLSA-N 0 0 444.561 0.922 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCn2nc(C)nc2C1 ZINC001595812680 1072422347 /nfs/dbraw/zinc/42/23/47/1072422347.db2.gz YPYKNMOSFUJERO-UHFFFAOYSA-N 0 0 428.522 0.785 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 ZINC001595821023 1072422319 /nfs/dbraw/zinc/42/23/19/1072422319.db2.gz AICCJFIWGNFVHQ-GOSISDBHSA-N 0 0 447.561 0.615 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 ZINC001595821031 1072422350 /nfs/dbraw/zinc/42/23/50/1072422350.db2.gz AICCJFIWGNFVHQ-SFHVURJKSA-N 0 0 447.561 0.615 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001595823719 1072422818 /nfs/dbraw/zinc/42/28/18/1072422818.db2.gz RXVQMFUZLMRQIT-AWEZNQCLSA-N 0 0 437.497 0.909 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001595823720 1072422846 /nfs/dbraw/zinc/42/28/46/1072422846.db2.gz RXVQMFUZLMRQIT-CQSZACIVSA-N 0 0 437.497 0.909 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 ZINC001595823732 1072422792 /nfs/dbraw/zinc/42/27/92/1072422792.db2.gz SCRCEKHVUGVKAS-UHFFFAOYSA-N 0 0 449.533 0.793 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001595824170 1072422827 /nfs/dbraw/zinc/42/28/27/1072422827.db2.gz XVNBFIVDHNDKRA-DLBZAZTESA-N 0 0 438.598 0.920 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001595824171 1072422756 /nfs/dbraw/zinc/42/27/56/1072422756.db2.gz XVNBFIVDHNDKRA-IAGOWNOFSA-N 0 0 438.598 0.920 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001595824172 1072422803 /nfs/dbraw/zinc/42/28/03/1072422803.db2.gz XVNBFIVDHNDKRA-IRXDYDNUSA-N 0 0 438.598 0.920 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001595824173 1072422853 /nfs/dbraw/zinc/42/28/53/1072422853.db2.gz XVNBFIVDHNDKRA-SJORKVTESA-N 0 0 438.598 0.920 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC)C(=O)C1 ZINC001595824227 1072422798 /nfs/dbraw/zinc/42/27/98/1072422798.db2.gz ZGMLPYXXUXMOQL-UHFFFAOYSA-N 0 0 449.581 0.799 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1C(C)(C)C ZINC001595830366 1072422669 /nfs/dbraw/zinc/42/26/69/1072422669.db2.gz AQLCQTORGRPUIQ-UHFFFAOYSA-N 0 0 435.554 0.763 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(N2CCS(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001595831357 1072422781 /nfs/dbraw/zinc/42/27/81/1072422781.db2.gz PNFXGRLOXXLFLL-GOSISDBHSA-N 0 0 446.595 0.488 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(N2CCS(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001595831358 1072422835 /nfs/dbraw/zinc/42/28/35/1072422835.db2.gz PNFXGRLOXXLFLL-SFHVURJKSA-N 0 0 446.595 0.488 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cccnn2)CC1 ZINC001595831517 1072422713 /nfs/dbraw/zinc/42/27/13/1072422713.db2.gz REFBUOUAKZUOEH-MRXNPFEDSA-N 0 0 433.538 0.847 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)[C@@H](C)C1 ZINC001595831763 1072422739 /nfs/dbraw/zinc/42/27/39/1072422739.db2.gz VQBXTIIIRYBLOF-DLBZAZTESA-N 0 0 427.571 0.887 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)[C@H](C)C1 ZINC001595831764 1072422730 /nfs/dbraw/zinc/42/27/30/1072422730.db2.gz VQBXTIIIRYBLOF-IAGOWNOFSA-N 0 0 427.571 0.887 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@]1(OCC)CCOC1 ZINC001595831769 1072422747 /nfs/dbraw/zinc/42/27/47/1072422747.db2.gz VTMRHHRTVNKACJ-GJYPPUQNSA-N 0 0 428.555 0.738 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@@]1(OCC)CCOC1 ZINC001595831770 1072423428 /nfs/dbraw/zinc/42/34/28/1072423428.db2.gz VTMRHHRTVNKACJ-JTDSTZFVSA-N 0 0 428.555 0.738 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001595831845 1072423422 /nfs/dbraw/zinc/42/34/22/1072423422.db2.gz XUOAKIJRNCZJSD-BEFAXECRSA-N 0 0 441.554 0.231 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001595831846 1072423367 /nfs/dbraw/zinc/42/33/67/1072423367.db2.gz XUOAKIJRNCZJSD-DNVCBOLYSA-N 0 0 441.554 0.231 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001595831847 1072423434 /nfs/dbraw/zinc/42/34/34/1072423434.db2.gz XUOAKIJRNCZJSD-HNAYVOBHSA-N 0 0 441.554 0.231 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001595831848 1072423413 /nfs/dbraw/zinc/42/34/13/1072423413.db2.gz XUOAKIJRNCZJSD-KXBFYZLASA-N 0 0 441.554 0.231 20 30 ICEDRN C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001595831887 1072423406 /nfs/dbraw/zinc/42/34/06/1072423406.db2.gz YWHGMDSJYRRKTJ-UHFFFAOYSA-N 0 0 448.549 0.773 20 30 ICEDRN C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 ZINC001595837946 1072423418 /nfs/dbraw/zinc/42/34/18/1072423418.db2.gz GYXNCHURURGTPH-UHFFFAOYSA-N 0 0 428.584 0.515 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001595838320 1072423355 /nfs/dbraw/zinc/42/33/55/1072423355.db2.gz OUYWYHGUXLRCCE-QLFBSQMISA-N 0 0 425.511 0.665 20 30 ICEDRN C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](CC(=O)OC)[C@H](O)C1 ZINC001595838437 1072423442 /nfs/dbraw/zinc/42/34/42/1072423442.db2.gz SKQPPUKOYWQGJP-RBSFLKMASA-N 0 0 428.511 0.091 20 30 ICEDRN C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001595844936 1072423383 /nfs/dbraw/zinc/42/33/83/1072423383.db2.gz KBTPGKZSMVKQRM-QLFBSQMISA-N 0 0 442.611 0.865 20 30 ICEDRN C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001595844937 1072423450 /nfs/dbraw/zinc/42/34/50/1072423450.db2.gz KBTPGKZSMVKQRM-SOUVJXGZSA-N 0 0 442.611 0.865 20 30 ICEDRN C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001595844957 1072423430 /nfs/dbraw/zinc/42/34/30/1072423430.db2.gz KTPHYZIQJUEPLL-KBPBESRZSA-N 0 0 443.599 0.364 20 30 ICEDRN C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001595844958 1072423410 /nfs/dbraw/zinc/42/34/10/1072423410.db2.gz KTPHYZIQJUEPLL-KGLIPLIRSA-N 0 0 443.599 0.364 20 30 ICEDRN C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001595844959 1072423447 /nfs/dbraw/zinc/42/34/47/1072423447.db2.gz KTPHYZIQJUEPLL-UONOGXRCSA-N 0 0 443.599 0.364 20 30 ICEDRN C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001595844961 1072423932 /nfs/dbraw/zinc/42/39/32/1072423932.db2.gz KTPHYZIQJUEPLL-ZIAGYGMSSA-N 0 0 443.599 0.364 20 30 ICEDRN C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001595884569 1072424661 /nfs/dbraw/zinc/42/46/61/1072424661.db2.gz NNZVQQPNCPLQNU-CABCVRRESA-N 0 0 440.595 0.655 20 30 ICEDRN C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001595884570 1072424648 /nfs/dbraw/zinc/42/46/48/1072424648.db2.gz NNZVQQPNCPLQNU-GJZGRUSLSA-N 0 0 440.595 0.655 20 30 ICEDRN C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001595884571 1072424565 /nfs/dbraw/zinc/42/45/65/1072424565.db2.gz NNZVQQPNCPLQNU-HUUCEWRRSA-N 0 0 440.595 0.655 20 30 ICEDRN C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001595884572 1072424487 /nfs/dbraw/zinc/42/44/87/1072424487.db2.gz NNZVQQPNCPLQNU-LSDHHAIUSA-N 0 0 440.595 0.655 20 30 ICEDRN C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 ZINC001595884663 1072425091 /nfs/dbraw/zinc/42/50/91/1072425091.db2.gz PWDIVUKCEGDGPR-INIZCTEOSA-N 0 0 429.612 0.868 20 30 ICEDRN C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 ZINC001595884664 1072425111 /nfs/dbraw/zinc/42/51/11/1072425111.db2.gz PWDIVUKCEGDGPR-MRXNPFEDSA-N 0 0 429.612 0.868 20 30 ICEDRN C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001595895297 1072425061 /nfs/dbraw/zinc/42/50/61/1072425061.db2.gz JBHTVLHXFMNEPM-HNNXBMFYSA-N 0 0 432.575 0.997 20 30 ICEDRN C=CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001595895300 1072425890 /nfs/dbraw/zinc/42/58/90/1072425890.db2.gz JBHTVLHXFMNEPM-OAHLLOKOSA-N 0 0 432.575 0.997 20 30 ICEDRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(Br)cc1C#N ZINC001595917713 1072426397 /nfs/dbraw/zinc/42/63/97/1072426397.db2.gz LCLOCANEZIUZBE-AWEZNQCLSA-N 0 0 428.308 0.625 20 30 ICEDRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(Br)cc1C#N ZINC001595917714 1072426338 /nfs/dbraw/zinc/42/63/38/1072426338.db2.gz LCLOCANEZIUZBE-CQSZACIVSA-N 0 0 428.308 0.625 20 30 ICEDRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC001595918173 1072427075 /nfs/dbraw/zinc/42/70/75/1072427075.db2.gz NAJDTDOQWWLNGH-GFCCVEGCSA-N 0 0 444.307 0.461 20 30 ICEDRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)COc1ccc(C#N)c(Br)c1 ZINC001595918174 1072427047 /nfs/dbraw/zinc/42/70/47/1072427047.db2.gz NAJDTDOQWWLNGH-LBPRGKRZSA-N 0 0 444.307 0.461 20 30 ICEDRN CN(C)S(=O)(=O)N1CC(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC001595918776 1072427032 /nfs/dbraw/zinc/42/70/32/1072427032.db2.gz GQBNKNWUWWRRHV-UHFFFAOYSA-N 0 0 448.505 0.629 20 30 ICEDRN O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001595927468 1072428936 /nfs/dbraw/zinc/42/89/36/1072428936.db2.gz QROBUWRNJXRKMY-UHFFFAOYSA-N 0 0 440.481 0.759 20 30 ICEDRN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001595938352 1072431262 /nfs/dbraw/zinc/43/12/62/1072431262.db2.gz UBTURXZAGPOCPG-DZGCQCFKSA-N 0 0 440.909 0.341 20 30 ICEDRN CS(=O)(=O)NC[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001595938354 1072431117 /nfs/dbraw/zinc/43/11/17/1072431117.db2.gz UBTURXZAGPOCPG-HIFRSBDPSA-N 0 0 440.909 0.341 20 30 ICEDRN CS(=O)(=O)NC[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001595938355 1072431249 /nfs/dbraw/zinc/43/12/49/1072431249.db2.gz UBTURXZAGPOCPG-UKRRQHHQSA-N 0 0 440.909 0.341 20 30 ICEDRN CS(=O)(=O)NC[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 ZINC001595938357 1072431684 /nfs/dbraw/zinc/43/16/84/1072431684.db2.gz UBTURXZAGPOCPG-ZFWWWQNUSA-N 0 0 440.909 0.341 20 30 ICEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001595971565 1072436103 /nfs/dbraw/zinc/43/61/03/1072436103.db2.gz RUUITIMCLAOVJT-CHWSQXEVSA-N 0 0 437.946 0.832 20 30 ICEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001595971568 1072436149 /nfs/dbraw/zinc/43/61/49/1072436149.db2.gz RUUITIMCLAOVJT-OLZOCXBDSA-N 0 0 437.946 0.832 20 30 ICEDRN C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001595971569 1072436209 /nfs/dbraw/zinc/43/62/09/1072436209.db2.gz RUUITIMCLAOVJT-QWHCGFSZSA-N 0 0 437.946 0.832 20 30 ICEDRN C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001595971570 1072436220 /nfs/dbraw/zinc/43/62/20/1072436220.db2.gz RUUITIMCLAOVJT-STQMWFEESA-N 0 0 437.946 0.832 20 30 ICEDRN CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 ZINC001595991951 1072440393 /nfs/dbraw/zinc/44/03/93/1072440393.db2.gz PEJZGZSQUSSKRH-CVEARBPZSA-N 0 0 446.533 0.998 20 30 ICEDRN CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 ZINC001595991956 1072440337 /nfs/dbraw/zinc/44/03/37/1072440337.db2.gz PEJZGZSQUSSKRH-HOTGVXAUSA-N 0 0 446.533 0.998 20 30 ICEDRN CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 ZINC001595991960 1072440444 /nfs/dbraw/zinc/44/04/44/1072440444.db2.gz PEJZGZSQUSSKRH-HZPDHXFCSA-N 0 0 446.533 0.998 20 30 ICEDRN CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 ZINC001595991961 1072440509 /nfs/dbraw/zinc/44/05/09/1072440509.db2.gz PEJZGZSQUSSKRH-JKSUJKDBSA-N 0 0 446.533 0.998 20 30 ICEDRN N#Cc1ccc(N2C[C@H](C(=O)NCCc3nnc4n3CCNC4=O)CC2=O)cc1Cl ZINC001596014004 1072442706 /nfs/dbraw/zinc/44/27/06/1072442706.db2.gz GVEXSUVJPJLZHV-GFCCVEGCSA-N 0 0 427.852 0.258 20 30 ICEDRN N#Cc1ccc(N2C[C@@H](C(=O)NCCc3nnc4n3CCNC4=O)CC2=O)cc1Cl ZINC001596014005 1072442606 /nfs/dbraw/zinc/44/26/06/1072442606.db2.gz GVEXSUVJPJLZHV-LBPRGKRZSA-N 0 0 427.852 0.258 20 30 ICEDRN CC(=O)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001596043664 1072445342 /nfs/dbraw/zinc/44/53/42/1072445342.db2.gz SQFITZNCXPNDCX-DZKIICNBSA-N 0 0 425.559 0.743 20 30 ICEDRN CC(=O)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)C1 ZINC001596043665 1072445467 /nfs/dbraw/zinc/44/54/67/1072445467.db2.gz SQFITZNCXPNDCX-FMKPAKJESA-N 0 0 425.559 0.743 20 30 ICEDRN CC(=O)N1CCC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001596043666 1072445545 /nfs/dbraw/zinc/44/55/45/1072445545.db2.gz SQFITZNCXPNDCX-LZWOXQAQSA-N 0 0 425.559 0.743 20 30 ICEDRN CC(=O)N1CCC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)C1 ZINC001596043667 1072445399 /nfs/dbraw/zinc/44/53/99/1072445399.db2.gz SQFITZNCXPNDCX-YCPHGPKFSA-N 0 0 425.559 0.743 20 30 ICEDRN CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)N1CCS(=O)(=O)CC1 ZINC001596057774 1072446234 /nfs/dbraw/zinc/44/62/34/1072446234.db2.gz FGZICJAOTUSDCU-HNNXBMFYSA-N 0 0 442.563 0.388 20 30 ICEDRN CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)N1CCS(=O)(=O)CC1 ZINC001596057775 1072446166 /nfs/dbraw/zinc/44/61/66/1072446166.db2.gz FGZICJAOTUSDCU-OAHLLOKOSA-N 0 0 442.563 0.388 20 30 ICEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CN(Cc2ccncc2)CCO1 ZINC001596066004 1072447399 /nfs/dbraw/zinc/44/73/99/1072447399.db2.gz QZAMQUGZNBOQLC-INIZCTEOSA-N 0 0 429.502 0.137 20 30 ICEDRN O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CN(Cc2ccncc2)CCO1 ZINC001596066005 1072447331 /nfs/dbraw/zinc/44/73/31/1072447331.db2.gz QZAMQUGZNBOQLC-MRXNPFEDSA-N 0 0 429.502 0.137 20 30 ICEDRN CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 ZINC001596095509 1072450849 /nfs/dbraw/zinc/45/08/49/1072450849.db2.gz BJVSFELISLGPQP-UHFFFAOYSA-N 0 0 437.504 0.734 20 30 ICEDRN CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC1 ZINC001596126217 1072453673 /nfs/dbraw/zinc/45/36/73/1072453673.db2.gz AQGFMAWLSMWIEW-UHFFFAOYSA-N 0 0 435.492 0.964 20 30 ICEDRN CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)[C@@H](C)C1 ZINC001596172638 1072458956 /nfs/dbraw/zinc/45/89/56/1072458956.db2.gz VSGPONZERJILMK-HNNXBMFYSA-N 0 0 445.549 0.765 20 30 ICEDRN CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)[C@H](C)C1 ZINC001596172639 1072459033 /nfs/dbraw/zinc/45/90/33/1072459033.db2.gz VSGPONZERJILMK-OAHLLOKOSA-N 0 0 445.549 0.765 20 30 ICEDRN CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)[C@@H](C)C1 ZINC001596183327 1072459708 /nfs/dbraw/zinc/45/97/08/1072459708.db2.gz FUPODUQAWLKFFX-HNNXBMFYSA-N 0 0 445.549 0.813 20 30 ICEDRN CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)[C@H](C)C1 ZINC001596183328 1072459877 /nfs/dbraw/zinc/45/98/77/1072459877.db2.gz FUPODUQAWLKFFX-OAHLLOKOSA-N 0 0 445.549 0.813 20 30 ICEDRN CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001596184794 1072460523 /nfs/dbraw/zinc/46/05/23/1072460523.db2.gz UELYPZOUSZMWKM-FQEVSTJZSA-N 0 0 444.517 0.035 20 30 ICEDRN CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001596184795 1072460384 /nfs/dbraw/zinc/46/03/84/1072460384.db2.gz UELYPZOUSZMWKM-HXUWFJFHSA-N 0 0 444.517 0.035 20 30 ICEDRN CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC001596212211 1072462934 /nfs/dbraw/zinc/46/29/34/1072462934.db2.gz FHWMQPDMNLZAIK-IVCWUWDKSA-N 0 0 443.508 0.365 20 30 ICEDRN CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC001596212214 1072462959 /nfs/dbraw/zinc/46/29/59/1072462959.db2.gz FHWMQPDMNLZAIK-KMMVWKSPSA-N 0 0 443.508 0.365 20 30 ICEDRN CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC001596212216 1072462941 /nfs/dbraw/zinc/46/29/41/1072462941.db2.gz FHWMQPDMNLZAIK-SFXXBHMCSA-N 0 0 443.508 0.365 20 30 ICEDRN CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC001596212218 1072462868 /nfs/dbraw/zinc/46/28/68/1072462868.db2.gz FHWMQPDMNLZAIK-SIRIWSTISA-N 0 0 443.508 0.365 20 30 ICEDRN CC(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC001596212469 1072462920 /nfs/dbraw/zinc/46/29/20/1072462920.db2.gz GJTKZPFWLOPYGV-DZGCQCFKSA-N 0 0 432.506 0.750 20 30 ICEDRN CC(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)[C@H](C)C1 ZINC001596212475 1072463020 /nfs/dbraw/zinc/46/30/20/1072463020.db2.gz GJTKZPFWLOPYGV-HIFRSBDPSA-N 0 0 432.506 0.750 20 30 ICEDRN 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0 0 448.545 0.495 20 30 ICEDRN N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c1 ZINC001611642361 1072799933 /nfs/dbraw/zinc/79/99/33/1072799933.db2.gz OFLSNPDMMHMGAZ-SQNIBIBYSA-N 0 0 448.545 0.495 20 30 ICEDRN CC(F)(F)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 ZINC001611646172 1072799924 /nfs/dbraw/zinc/79/99/24/1072799924.db2.gz URDYOMLPGIUQHV-CHWSQXEVSA-N 0 0 434.469 0.385 20 30 ICEDRN CC(F)(F)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C#N)C1 ZINC001611646173 1072799825 /nfs/dbraw/zinc/79/98/25/1072799825.db2.gz URDYOMLPGIUQHV-OLZOCXBDSA-N 0 0 434.469 0.385 20 30 ICEDRN CC(F)(F)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 ZINC001611646174 1072799856 /nfs/dbraw/zinc/79/98/56/1072799856.db2.gz URDYOMLPGIUQHV-QWHCGFSZSA-N 0 0 434.469 0.385 20 30 ICEDRN CC(F)(F)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C#N)C1 ZINC001611646175 1072800306 /nfs/dbraw/zinc/80/03/06/1072800306.db2.gz URDYOMLPGIUQHV-STQMWFEESA-N 0 0 434.469 0.385 20 30 ICEDRN C[C@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F ZINC001611658260 1072800799 /nfs/dbraw/zinc/80/07/99/1072800799.db2.gz AJMCWEWCFGSZHA-NXEZZACHSA-N 0 0 425.437 0.305 20 30 ICEDRN C[C@@H](CC#N)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F ZINC001611658261 1072800906 /nfs/dbraw/zinc/80/09/06/1072800906.db2.gz AJMCWEWCFGSZHA-UWVGGRQHSA-N 0 0 425.437 0.305 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC(=O)NCC(F)(F)F ZINC001611658262 1072800847 /nfs/dbraw/zinc/80/08/47/1072800847.db2.gz AJMCWEWCFGSZHA-VHSXEESVSA-N 0 0 425.437 0.305 20 30 ICEDRN C[C@H](CC#N)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NCC(F)(F)F ZINC001611658263 1072800675 /nfs/dbraw/zinc/80/06/75/1072800675.db2.gz AJMCWEWCFGSZHA-ZJUUUORDSA-N 0 0 425.437 0.305 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1Cc1ccc(C#N)o1 ZINC001611676302 1072813768 /nfs/dbraw/zinc/81/37/68/1072813768.db2.gz VXNFLTJQDSEOCD-CXLVCKKSSA-N 0 0 434.522 0.998 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3CCC[C@@H](C2)C3O)n1Cc1ccc(C#N)o1 ZINC001611676303 1072813883 /nfs/dbraw/zinc/81/38/83/1072813883.db2.gz VXNFLTJQDSEOCD-NRMMMPIQSA-N 0 0 434.522 0.998 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001611676806 1072813694 /nfs/dbraw/zinc/81/36/94/1072813694.db2.gz DHCSDRPXTDILGA-CYBMUJFWSA-N 0 0 444.583 0.596 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CCC1 ZINC001611676807 1072813792 /nfs/dbraw/zinc/81/37/92/1072813792.db2.gz DHCSDRPXTDILGA-ZDUSSCGKSA-N 0 0 444.583 0.596 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)(F)F ZINC001611677220 1072814343 /nfs/dbraw/zinc/81/43/43/1072814343.db2.gz MBAQETCKWQTGOB-JTQLQIEISA-N 0 0 437.448 0.307 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)(F)F ZINC001611677221 1072814440 /nfs/dbraw/zinc/81/44/40/1072814440.db2.gz MBAQETCKWQTGOB-SNVBAGLBSA-N 0 0 437.448 0.307 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCC1(O)CCOCC1 ZINC001611678826 1072816343 /nfs/dbraw/zinc/81/63/43/1072816343.db2.gz NKIYONPRHLROLG-HNNXBMFYSA-N 0 0 440.570 0.950 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCC1(O)CCOCC1 ZINC001611678827 1072816198 /nfs/dbraw/zinc/81/61/98/1072816198.db2.gz NKIYONPRHLROLG-OAHLLOKOSA-N 0 0 440.570 0.950 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOCC1(C)C ZINC001611686102 1072819201 /nfs/dbraw/zinc/81/92/01/1072819201.db2.gz AGFXCXLSIXTLSB-KBXCAEBGSA-N 0 0 443.549 0.441 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOCC1(C)C ZINC001611686103 1072819510 /nfs/dbraw/zinc/81/95/10/1072819510.db2.gz AGFXCXLSIXTLSB-KDOFPFPSSA-N 0 0 443.549 0.441 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOCC1(C)C ZINC001611686104 1072819420 /nfs/dbraw/zinc/81/94/20/1072819420.db2.gz AGFXCXLSIXTLSB-KSSFIOAISA-N 0 0 443.549 0.441 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOCC1(C)C ZINC001611686105 1072820057 /nfs/dbraw/zinc/82/00/57/1072820057.db2.gz AGFXCXLSIXTLSB-RDTXWAMCSA-N 0 0 443.549 0.441 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 ZINC001611686306 1072820078 /nfs/dbraw/zinc/82/00/78/1072820078.db2.gz DLKMQRUFLGQFQN-DACLVMHWSA-N 0 0 442.517 0.668 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 ZINC001611686307 1072819925 /nfs/dbraw/zinc/81/99/25/1072819925.db2.gz DLKMQRUFLGQFQN-DFEHZGFQSA-N 0 0 442.517 0.668 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 ZINC001611686308 1072820089 /nfs/dbraw/zinc/82/00/89/1072820089.db2.gz DLKMQRUFLGQFQN-IHETXDGRSA-N 0 0 442.517 0.668 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 ZINC001611686309 1072820020 /nfs/dbraw/zinc/82/00/20/1072820020.db2.gz DLKMQRUFLGQFQN-USJZOSNVSA-N 0 0 442.517 0.668 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOCC1 ZINC001611686752 1072820470 /nfs/dbraw/zinc/82/04/70/1072820470.db2.gz LSRHFXJEHSFKBG-PBHICJAKSA-N 0 0 429.522 0.053 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOCC1 ZINC001611686753 1072820697 /nfs/dbraw/zinc/82/06/97/1072820697.db2.gz LSRHFXJEHSFKBG-RHSMWYFYSA-N 0 0 429.522 0.053 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOCC1 ZINC001611686754 1072820667 /nfs/dbraw/zinc/82/06/67/1072820667.db2.gz LSRHFXJEHSFKBG-WMLDXEAASA-N 0 0 429.522 0.053 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOCC1 ZINC001611686755 1072820505 /nfs/dbraw/zinc/82/05/05/1072820505.db2.gz LSRHFXJEHSFKBG-YOEHRIQHSA-N 0 0 429.522 0.053 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 ZINC001611687026 1072821161 /nfs/dbraw/zinc/82/11/61/1072821161.db2.gz PZCVEOHZJVMPSF-ACJLOTCBSA-N 0 0 436.517 0.840 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 ZINC001611687027 1072821342 /nfs/dbraw/zinc/82/13/42/1072821342.db2.gz PZCVEOHZJVMPSF-FZKQIMNGSA-N 0 0 436.517 0.840 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 ZINC001611687028 1072821122 /nfs/dbraw/zinc/82/11/22/1072821122.db2.gz PZCVEOHZJVMPSF-SCLBCKFNSA-N 0 0 436.517 0.840 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 ZINC001611687029 1072821221 /nfs/dbraw/zinc/82/12/21/1072821221.db2.gz PZCVEOHZJVMPSF-UGSOOPFHSA-N 0 0 436.517 0.840 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 ZINC001611694554 1072828414 /nfs/dbraw/zinc/82/84/14/1072828414.db2.gz PHEFKPBNGBHHGA-BBRMVZONSA-N 0 0 444.583 0.596 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 ZINC001611694555 1072828506 /nfs/dbraw/zinc/82/85/06/1072828506.db2.gz PHEFKPBNGBHHGA-CJNGLKHVSA-N 0 0 444.583 0.596 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 ZINC001611694556 1072828599 /nfs/dbraw/zinc/82/85/99/1072828599.db2.gz PHEFKPBNGBHHGA-CZUORRHYSA-N 0 0 444.583 0.596 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 ZINC001611694557 1072828500 /nfs/dbraw/zinc/82/85/00/1072828500.db2.gz PHEFKPBNGBHHGA-XJKSGUPXSA-N 0 0 444.583 0.596 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCS(C)(=O)=O ZINC001611696674 1072829858 /nfs/dbraw/zinc/82/98/58/1072829858.db2.gz KDUVJOFACVDZJM-BBRMVZONSA-N 0 0 432.572 0.453 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCS(C)(=O)=O ZINC001611696675 1072829971 /nfs/dbraw/zinc/82/99/71/1072829971.db2.gz KDUVJOFACVDZJM-CJNGLKHVSA-N 0 0 432.572 0.453 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCS(C)(=O)=O ZINC001611696676 1072829884 /nfs/dbraw/zinc/82/98/84/1072829884.db2.gz KDUVJOFACVDZJM-CZUORRHYSA-N 0 0 432.572 0.453 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCS(C)(=O)=O ZINC001611696677 1072829796 /nfs/dbraw/zinc/82/97/96/1072829796.db2.gz KDUVJOFACVDZJM-XJKSGUPXSA-N 0 0 432.572 0.453 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC(F)F ZINC001611706571 1072834904 /nfs/dbraw/zinc/83/49/04/1072834904.db2.gz ATCAYXHXGNPIQP-GXTWGEPZSA-N 0 0 447.512 0.694 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC(F)F ZINC001611706572 1072835005 /nfs/dbraw/zinc/83/50/05/1072835005.db2.gz ATCAYXHXGNPIQP-JSGCOSHPSA-N 0 0 447.512 0.694 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC(F)F ZINC001611706573 1072834890 /nfs/dbraw/zinc/83/48/90/1072834890.db2.gz ATCAYXHXGNPIQP-OCCSQVGLSA-N 0 0 447.512 0.694 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC(F)F ZINC001611706574 1072834854 /nfs/dbraw/zinc/83/48/54/1072834854.db2.gz ATCAYXHXGNPIQP-TZMCWYRMSA-N 0 0 447.512 0.694 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nccs1 ZINC001611706773 1072834711 /nfs/dbraw/zinc/83/47/11/1072834711.db2.gz FRRBNLYVTQOMDA-GXTWGEPZSA-N 0 0 436.567 0.570 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nccs1 ZINC001611706774 1072835299 /nfs/dbraw/zinc/83/52/99/1072835299.db2.gz FRRBNLYVTQOMDA-JSGCOSHPSA-N 0 0 436.567 0.570 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nccs1 ZINC001611706775 1072835518 /nfs/dbraw/zinc/83/55/18/1072835518.db2.gz FRRBNLYVTQOMDA-OCCSQVGLSA-N 0 0 436.567 0.570 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nccs1 ZINC001611706776 1072834988 /nfs/dbraw/zinc/83/49/88/1072834988.db2.gz FRRBNLYVTQOMDA-TZMCWYRMSA-N 0 0 436.567 0.570 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@](C)(O)C1CC1 ZINC001611707261 1072836091 /nfs/dbraw/zinc/83/60/91/1072836091.db2.gz NVUURSDMNQSEAW-AXHNFQJDSA-N 0 0 437.570 0.226 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@](C)(O)C1CC1 ZINC001611707262 1072836146 /nfs/dbraw/zinc/83/61/46/1072836146.db2.gz NVUURSDMNQSEAW-CRFBAAHOSA-N 0 0 437.570 0.226 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@](C)(O)C1CC1 ZINC001611707263 1072835922 /nfs/dbraw/zinc/83/59/22/1072835922.db2.gz NVUURSDMNQSEAW-IYJAJMOOSA-N 0 0 437.570 0.226 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@](C)(O)C1CC1 ZINC001611707264 1072836023 /nfs/dbraw/zinc/83/60/23/1072836023.db2.gz NVUURSDMNQSEAW-URKNILKWSA-N 0 0 437.570 0.226 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@H]1C[C@H]1C ZINC001611707537 1072835803 /nfs/dbraw/zinc/83/58/03/1072835803.db2.gz STXIIJDLJMQXGM-HOSILWTGSA-N 0 0 445.553 0.846 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@@H]1C[C@H]1C ZINC001611707538 1072836131 /nfs/dbraw/zinc/83/61/31/1072836131.db2.gz STXIIJDLJMQXGM-ORIJERBGSA-N 0 0 445.553 0.846 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@@H]1C[C@@H]1C ZINC001611707539 1072835998 /nfs/dbraw/zinc/83/59/98/1072835998.db2.gz STXIIJDLJMQXGM-RZLSGREXSA-N 0 0 445.553 0.846 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@H]1C[C@@H]1C ZINC001611707540 1072835817 /nfs/dbraw/zinc/83/58/17/1072835817.db2.gz STXIIJDLJMQXGM-YXWQFLTLSA-N 0 0 445.553 0.846 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCn1cccn1 ZINC001611707739 1072836628 /nfs/dbraw/zinc/83/66/28/1072836628.db2.gz XIRZTOMQKPREPL-DOTOQJQBSA-N 0 0 447.569 0.352 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCn1cccn1 ZINC001611707740 1072836732 /nfs/dbraw/zinc/83/67/32/1072836732.db2.gz XIRZTOMQKPREPL-NVXWUHKLSA-N 0 0 447.569 0.352 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCn1cccn1 ZINC001611707741 1072836575 /nfs/dbraw/zinc/83/65/75/1072836575.db2.gz XIRZTOMQKPREPL-RDJZCZTQSA-N 0 0 447.569 0.352 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCn1cccn1 ZINC001611707742 1072836502 /nfs/dbraw/zinc/83/65/02/1072836502.db2.gz XIRZTOMQKPREPL-WBVHZDCISA-N 0 0 447.569 0.352 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nccc(C(F)F)n1 ZINC001611710703 1072837837 /nfs/dbraw/zinc/83/78/37/1072837837.db2.gz DIZLAILRJXXEOA-GHMZBOCLSA-N 0 0 442.452 0.393 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccc(C(F)F)n1 ZINC001611710704 1072837805 /nfs/dbraw/zinc/83/78/05/1072837805.db2.gz DIZLAILRJXXEOA-MNOVXSKESA-N 0 0 442.452 0.393 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccc(C(F)F)n1 ZINC001611710705 1072837670 /nfs/dbraw/zinc/83/76/70/1072837670.db2.gz DIZLAILRJXXEOA-QWRGUYRKSA-N 0 0 442.452 0.393 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nccc(C(F)F)n1 ZINC001611710706 1072837644 /nfs/dbraw/zinc/83/76/44/1072837644.db2.gz DIZLAILRJXXEOA-WDEREUQCSA-N 0 0 442.452 0.393 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001611710759 1072838095 /nfs/dbraw/zinc/83/80/95/1072838095.db2.gz DYIMJJWUFDTNLV-KNBMTAEXSA-N 0 0 448.549 0.915 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001611710760 1072838358 /nfs/dbraw/zinc/83/83/58/1072838358.db2.gz DYIMJJWUFDTNLV-RIFZZMRRSA-N 0 0 448.549 0.915 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@](C)(O)c1ccccc1 ZINC001611710761 1072838074 /nfs/dbraw/zinc/83/80/74/1072838074.db2.gz DYIMJJWUFDTNLV-VPWXQRGCSA-N 0 0 448.549 0.915 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@](C)(O)c1ccccc1 ZINC001611710762 1072838227 /nfs/dbraw/zinc/83/82/27/1072838227.db2.gz DYIMJJWUFDTNLV-XAUMDUMWSA-N 0 0 448.549 0.915 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CSCCS1 ZINC001611711345 1072840002 /nfs/dbraw/zinc/84/00/02/1072840002.db2.gz MSVSMGOANXSGEF-AVGNSLFASA-N 0 0 432.597 0.466 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CSCCS1 ZINC001611711346 1072840054 /nfs/dbraw/zinc/84/00/54/1072840054.db2.gz MSVSMGOANXSGEF-RWMBFGLXSA-N 0 0 432.597 0.466 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CSCCS1 ZINC001611711347 1072840208 /nfs/dbraw/zinc/84/02/08/1072840208.db2.gz MSVSMGOANXSGEF-XQQFMLRXSA-N 0 0 432.597 0.466 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CSCCS1 ZINC001611711348 1072840048 /nfs/dbraw/zinc/84/00/48/1072840048.db2.gz MSVSMGOANXSGEF-YNEHKIRRSA-N 0 0 432.597 0.466 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccccc1 ZINC001611711445 1072840574 /nfs/dbraw/zinc/84/05/74/1072840574.db2.gz OCWXZLTVODHVPL-GMBSWORKSA-N 0 0 434.522 0.525 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccccc1 ZINC001611711446 1072840538 /nfs/dbraw/zinc/84/05/38/1072840538.db2.gz OCWXZLTVODHVPL-QOKNQOGYSA-N 0 0 434.522 0.525 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccccc1 ZINC001611711447 1072840608 /nfs/dbraw/zinc/84/06/08/1072840608.db2.gz OCWXZLTVODHVPL-URLQWDBASA-N 0 0 434.522 0.525 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccccc1 ZINC001611711448 1072840555 /nfs/dbraw/zinc/84/05/55/1072840555.db2.gz OCWXZLTVODHVPL-ZSZQSSIHSA-N 0 0 434.522 0.525 20 30 ICEDRN C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1Cc1ccc(C#N)o1 ZINC001611717146 1072847835 /nfs/dbraw/zinc/84/78/35/1072847835.db2.gz KKQKNXADRBGWJP-DVOMOZLQSA-N 0 0 447.521 0.458 20 30 ICEDRN C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1Cc1ccc(C#N)o1 ZINC001611717147 1072847614 /nfs/dbraw/zinc/84/76/14/1072847614.db2.gz KKQKNXADRBGWJP-HEHGZKQESA-N 0 0 447.521 0.458 20 30 ICEDRN N#Cc1cncc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)n1 ZINC001611766106 1072851916 /nfs/dbraw/zinc/85/19/16/1072851916.db2.gz AFVLPBLJRXRUNY-UHFFFAOYSA-N 0 0 434.865 0.843 20 30 ICEDRN 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CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001611773477 1072852504 /nfs/dbraw/zinc/85/25/04/1072852504.db2.gz PMDJSMSFTAFGOJ-UHFFFAOYSA-N 0 0 425.497 0.684 20 30 ICEDRN C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001611778318 1072853368 /nfs/dbraw/zinc/85/33/68/1072853368.db2.gz HEBXXRWACCLCAL-NJNPRVFISA-N 0 0 440.504 0.970 20 30 ICEDRN C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 ZINC001611778319 1072853498 /nfs/dbraw/zinc/85/34/98/1072853498.db2.gz HEBXXRWACCLCAL-SVMVAKDDSA-N 0 0 440.504 0.970 20 30 ICEDRN CC1(C)CN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCO1 ZINC001611797521 1072855867 /nfs/dbraw/zinc/85/58/67/1072855867.db2.gz SCKAZQITBDKGSP-CVEARBPZSA-N 0 0 438.554 0.020 20 30 ICEDRN CC1(C)CN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCO1 ZINC001611797522 1072856023 /nfs/dbraw/zinc/85/60/23/1072856023.db2.gz SCKAZQITBDKGSP-HOTGVXAUSA-N 0 0 438.554 0.020 20 30 ICEDRN CC1(C)CN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCO1 ZINC001611797523 1072856122 /nfs/dbraw/zinc/85/61/22/1072856122.db2.gz SCKAZQITBDKGSP-HZPDHXFCSA-N 0 0 438.554 0.020 20 30 ICEDRN CC1(C)CN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCO1 ZINC001611797524 1072856222 /nfs/dbraw/zinc/85/62/22/1072856222.db2.gz SCKAZQITBDKGSP-JKSUJKDBSA-N 0 0 438.554 0.020 20 30 ICEDRN CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)COC1 ZINC001611804625 1072857605 /nfs/dbraw/zinc/85/76/05/1072857605.db2.gz WFMOAWXTRNAKAT-INIZCTEOSA-N 0 0 438.554 0.778 20 30 ICEDRN CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(CC#N)CC2)COC1 ZINC001611804626 1072857459 /nfs/dbraw/zinc/85/74/59/1072857459.db2.gz WFMOAWXTRNAKAT-MRXNPFEDSA-N 0 0 438.554 0.778 20 30 ICEDRN Cc1c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cnn1C ZINC001611876216 1072861087 /nfs/dbraw/zinc/86/10/87/1072861087.db2.gz NDSMQEAGHMOHEJ-CXAGYDPISA-N 0 0 447.569 0.155 20 30 ICEDRN 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Cc1ccn2cc(Cn3c([C@H](C)NS(C)(=O)=O)nnc3N3CCO[C@@H](C#N)C3)nc2c1 ZINC001611972761 1072864442 /nfs/dbraw/zinc/86/44/42/1072864442.db2.gz APUCXVNJUMSKGO-HOCLYGCPSA-N 0 0 444.521 0.622 20 30 ICEDRN Cc1ccn2cc(Cn3c([C@@H](C)NS(C)(=O)=O)nnc3N3CCO[C@@H](C#N)C3)nc2c1 ZINC001611972762 1072864601 /nfs/dbraw/zinc/86/46/01/1072864601.db2.gz APUCXVNJUMSKGO-ZBFHGGJFSA-N 0 0 444.521 0.622 20 30 ICEDRN N#Cc1cnc(N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)c2sccc21 ZINC001612067327 1072867717 /nfs/dbraw/zinc/86/77/17/1072867717.db2.gz RUDFIGTVHRYXSV-CYBMUJFWSA-N 0 0 426.545 0.807 20 30 ICEDRN N#Cc1cnc(N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)c2sccc21 ZINC001612067328 1072867905 /nfs/dbraw/zinc/86/79/05/1072867905.db2.gz RUDFIGTVHRYXSV-ZDUSSCGKSA-N 0 0 426.545 0.807 20 30 ICEDRN Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNS(C)(=O)=O)cc1 ZINC001612144672 1072871248 /nfs/dbraw/zinc/87/12/48/1072871248.db2.gz NLWOWJYWKLOILI-QGZVFWFLSA-N 0 0 434.522 0.834 20 30 ICEDRN Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001612212619 1072874526 /nfs/dbraw/zinc/87/45/26/1072874526.db2.gz MYMRASCRGUDKPO-HOTGVXAUSA-N 0 0 431.522 0.659 20 30 ICEDRN Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001612212620 1072874361 /nfs/dbraw/zinc/87/43/61/1072874361.db2.gz MYMRASCRGUDKPO-HZPDHXFCSA-N 0 0 431.522 0.659 20 30 ICEDRN Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)n1 ZINC001612212621 1072874445 /nfs/dbraw/zinc/87/44/45/1072874445.db2.gz MYMRASCRGUDKPO-JKSUJKDBSA-N 0 0 431.522 0.659 20 30 ICEDRN Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001612274424 1072876677 /nfs/dbraw/zinc/87/66/77/1072876677.db2.gz BVNSPXYTSYZQMY-INIZCTEOSA-N 0 0 431.518 0.922 20 30 ICEDRN Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001612274425 1072876848 /nfs/dbraw/zinc/87/68/48/1072876848.db2.gz BVNSPXYTSYZQMY-MRXNPFEDSA-N 0 0 431.518 0.922 20 30 ICEDRN 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/nfs/dbraw/zinc/89/33/82/1072893382.db2.gz FFUSCFRYWWELSX-UHFFFAOYSA-N 0 0 434.570 0.761 20 30 ICEDRN Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CC(=O)NCC(F)F)CC2)c1C#N ZINC001612472212 1072893427 /nfs/dbraw/zinc/89/34/27/1072893427.db2.gz KYNLDSMMGVKIJC-UHFFFAOYSA-N 0 0 447.494 0.852 20 30 ICEDRN Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 ZINC001612493122 1072896202 /nfs/dbraw/zinc/89/62/02/1072896202.db2.gz LBOOLWULWVKIMD-MSOLQXFVSA-N 0 0 437.501 0.131 20 30 ICEDRN Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 ZINC001612493123 1072896065 /nfs/dbraw/zinc/89/60/65/1072896065.db2.gz LBOOLWULWVKIMD-QZTJIDSGSA-N 0 0 437.501 0.131 20 30 ICEDRN Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)n1 ZINC001612493124 1072896044 /nfs/dbraw/zinc/89/60/44/1072896044.db2.gz LBOOLWULWVKIMD-ROUUACIJSA-N 0 0 437.501 0.131 20 30 ICEDRN Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)n1 ZINC001612493125 1072896242 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/nfs/dbraw/zinc/97/14/43/1072971443.db2.gz FHJMKXFZUKNOOG-WBVHZDCISA-N 0 0 430.557 0.898 20 30 ICEDRN CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 ZINC001613558547 1072979055 /nfs/dbraw/zinc/97/90/55/1072979055.db2.gz FYAVPQAPTRREOK-NRFANRHFSA-N 0 0 448.547 0.803 20 30 ICEDRN CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCN(C(C)=O)CC1 ZINC001613558548 1072979206 /nfs/dbraw/zinc/97/92/06/1072979206.db2.gz FYAVPQAPTRREOK-OAQYLSRUSA-N 0 0 448.547 0.803 20 30 ICEDRN CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)NC(C)C ZINC001613558642 1072979160 /nfs/dbraw/zinc/97/91/60/1072979160.db2.gz ITKGTTSPZBFUCS-GOSISDBHSA-N 0 0 443.549 0.966 20 30 ICEDRN CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)NC(C)C ZINC001613558643 1072979110 /nfs/dbraw/zinc/97/91/10/1072979110.db2.gz ITKGTTSPZBFUCS-SFHVURJKSA-N 0 0 443.549 0.966 20 30 ICEDRN CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(C)(=O)=O ZINC001613569549 1072981197 /nfs/dbraw/zinc/98/11/97/1072981197.db2.gz LMYUMSYCKTZSDD-GOSISDBHSA-N 0 0 425.559 0.876 20 30 ICEDRN CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(C)(=O)=O ZINC001613569550 1072981206 /nfs/dbraw/zinc/98/12/06/1072981206.db2.gz LMYUMSYCKTZSDD-SFHVURJKSA-N 0 0 425.559 0.876 20 30 ICEDRN CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(C)=O ZINC001613588282 1072983621 /nfs/dbraw/zinc/98/36/21/1072983621.db2.gz DGLOVXNRJMUXGN-GOSISDBHSA-N 0 0 430.557 0.899 20 30 ICEDRN CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(C)=O ZINC001613588283 1072983581 /nfs/dbraw/zinc/98/35/81/1072983581.db2.gz DGLOVXNRJMUXGN-SFHVURJKSA-N 0 0 430.557 0.899 20 30 ICEDRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)CN1CCOCC1 ZINC001613594150 1072986611 /nfs/dbraw/zinc/98/66/11/1072986611.db2.gz CJKOSMUTJGELCU-AEFFLSMTSA-N 0 0 433.557 0.894 20 30 ICEDRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)CN1CCOCC1 ZINC001613594151 1072986659 /nfs/dbraw/zinc/98/66/59/1072986659.db2.gz CJKOSMUTJGELCU-FUHWJXTLSA-N 0 0 433.557 0.894 20 30 ICEDRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)CN1CCOCC1 ZINC001613594152 1072986622 /nfs/dbraw/zinc/98/66/22/1072986622.db2.gz CJKOSMUTJGELCU-SJLPKXTDSA-N 0 0 433.557 0.894 20 30 ICEDRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)CN1CCOCC1 ZINC001613594153 1072986550 /nfs/dbraw/zinc/98/65/50/1072986550.db2.gz CJKOSMUTJGELCU-WMZOPIPTSA-N 0 0 433.557 0.894 20 30 ICEDRN CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(CCOC)c1 ZINC001613594476 1072986643 /nfs/dbraw/zinc/98/66/43/1072986643.db2.gz KDZIGBWZYUWVJQ-KRWDZBQOSA-N 0 0 430.513 0.816 20 30 ICEDRN CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(CCOC)c1 ZINC001613594477 1072986532 /nfs/dbraw/zinc/98/65/32/1072986532.db2.gz KDZIGBWZYUWVJQ-QGZVFWFLSA-N 0 0 430.513 0.816 20 30 ICEDRN CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC ZINC001613612399 1072989474 /nfs/dbraw/zinc/98/94/74/1072989474.db2.gz MICCWKMBNYUQIL-CWRNSKLLSA-N 0 0 425.559 0.490 20 30 ICEDRN CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC ZINC001613612400 1072989398 /nfs/dbraw/zinc/98/93/98/1072989398.db2.gz MICCWKMBNYUQIL-FVQBIDKESA-N 0 0 425.559 0.490 20 30 ICEDRN CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC ZINC001613612401 1072989487 /nfs/dbraw/zinc/98/94/87/1072989487.db2.gz MICCWKMBNYUQIL-NUEKZKHPSA-N 0 0 425.559 0.490 20 30 ICEDRN CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC ZINC001613612402 1072989457 /nfs/dbraw/zinc/98/94/57/1072989457.db2.gz MICCWKMBNYUQIL-VNQPRFMTSA-N 0 0 425.559 0.490 20 30 ICEDRN CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1)OC ZINC001613640512 1072990102 /nfs/dbraw/zinc/99/01/02/1072990102.db2.gz ASRVVSAVMZRQMY-CKEIUWERSA-N 0 0 430.506 0.478 20 30 ICEDRN CC[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1)OC ZINC001613640513 1072990126 /nfs/dbraw/zinc/99/01/26/1072990126.db2.gz ASRVVSAVMZRQMY-CPUCHLNUSA-N 0 0 430.506 0.478 20 30 ICEDRN 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COc1ccncc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N ZINC001619471668 1073589743 /nfs/dbraw/zinc/58/97/43/1073589743.db2.gz KBSFVEDLVWJAIG-YOEHRIQHSA-N 0 0 449.537 0.801 20 30 ICEDRN CO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001619493683 1073592083 /nfs/dbraw/zinc/59/20/83/1073592083.db2.gz WSNBEXYHCADZKF-DCOQFNDQSA-N 0 0 431.497 0.558 20 30 ICEDRN CO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001619493684 1073592121 /nfs/dbraw/zinc/59/21/21/1073592121.db2.gz WSNBEXYHCADZKF-HFUDNHEJSA-N 0 0 431.497 0.558 20 30 ICEDRN CO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001619493685 1073592154 /nfs/dbraw/zinc/59/21/54/1073592154.db2.gz WSNBEXYHCADZKF-OHTQGHCMSA-N 0 0 431.497 0.558 20 30 ICEDRN CO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)C2N=CC=CC2=O)C1 ZINC001619493686 1073592180 /nfs/dbraw/zinc/59/21/80/1073592180.db2.gz WSNBEXYHCADZKF-ZFDMEJTGSA-N 0 0 431.497 0.558 20 30 ICEDRN CO[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)C2N=CC=CC2=O)C1 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/nfs/dbraw/zinc/59/94/08/1073599408.db2.gz NBNAZLGIIAJJEJ-UHFFFAOYSA-N 0 0 441.492 0.758 20 30 ICEDRN COCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001619567935 1073600484 /nfs/dbraw/zinc/60/04/84/1073600484.db2.gz QNXKNIYSJVRMEN-CABCVRRESA-N 0 0 428.559 0.879 20 30 ICEDRN COCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001619567936 1073600443 /nfs/dbraw/zinc/60/04/43/1073600443.db2.gz QNXKNIYSJVRMEN-GJZGRUSLSA-N 0 0 428.559 0.879 20 30 ICEDRN COCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N ZINC001619567937 1073600563 /nfs/dbraw/zinc/60/05/63/1073600563.db2.gz QNXKNIYSJVRMEN-HUUCEWRRSA-N 0 0 428.559 0.879 20 30 ICEDRN COCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N ZINC001619567938 1073600504 /nfs/dbraw/zinc/60/05/04/1073600504.db2.gz QNXKNIYSJVRMEN-LSDHHAIUSA-N 0 0 428.559 0.879 20 30 ICEDRN COC[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 ZINC001619584922 1073602235 /nfs/dbraw/zinc/60/22/35/1073602235.db2.gz 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ICEDRN COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)OC ZINC001619597522 1073604067 /nfs/dbraw/zinc/60/40/67/1073604067.db2.gz UTJPIVWILBYNDI-GOSISDBHSA-N 0 0 428.493 0.949 20 30 ICEDRN COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)OC ZINC001619597523 1073604159 /nfs/dbraw/zinc/60/41/59/1073604159.db2.gz UTJPIVWILBYNDI-SFHVURJKSA-N 0 0 428.493 0.949 20 30 ICEDRN COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)OC ZINC001619598616 1073604558 /nfs/dbraw/zinc/60/45/58/1073604558.db2.gz PGUKHTNIYJMBHF-MOPGFXCFSA-N 0 0 428.493 0.819 20 30 ICEDRN COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)OC ZINC001619598617 1073604725 /nfs/dbraw/zinc/60/47/25/1073604725.db2.gz PGUKHTNIYJMBHF-OALUTQOASA-N 0 0 428.493 0.819 20 30 ICEDRN COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1)OC ZINC001619598618 1073604674 /nfs/dbraw/zinc/60/46/74/1073604674.db2.gz PGUKHTNIYJMBHF-RBUKOAKNSA-N 0 0 428.493 0.819 20 30 ICEDRN COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1)OC ZINC001619598619 1073604768 /nfs/dbraw/zinc/60/47/68/1073604768.db2.gz PGUKHTNIYJMBHF-RTBURBONSA-N 0 0 428.493 0.819 20 30 ICEDRN COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC ZINC001619600674 1073605215 /nfs/dbraw/zinc/60/52/15/1073605215.db2.gz BIEMDBFTQXXQLK-DLBZAZTESA-N 0 0 440.508 0.484 20 30 ICEDRN COC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC ZINC001619600675 1073605316 /nfs/dbraw/zinc/60/53/16/1073605316.db2.gz BIEMDBFTQXXQLK-IAGOWNOFSA-N 0 0 440.508 0.484 20 30 ICEDRN COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC ZINC001619600676 1073605252 /nfs/dbraw/zinc/60/52/52/1073605252.db2.gz BIEMDBFTQXXQLK-IRXDYDNUSA-N 0 0 440.508 0.484 20 30 ICEDRN COC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC ZINC001619600677 1073605195 /nfs/dbraw/zinc/60/51/95/1073605195.db2.gz BIEMDBFTQXXQLK-SJORKVTESA-N 0 0 440.508 0.484 20 30 ICEDRN 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