smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)CN1CCN(C(=O)[C@@H]([NH3+])c2cscn2)CC1 ZINC000563718074 334941477 /nfs/dbraw/zinc/94/14/77/334941477.db2.gz QBGWGTNWLGQXAJ-ZDUSSCGKSA-N 1 2 323.422 -0.411 20 30 DBEDLO CNC(=O)[C@H](NC(=O)CO[NH+]=C(N)CCO)c1ccccc1 ZINC000275521993 529919025 /nfs/dbraw/zinc/91/90/25/529919025.db2.gz OOJWAZXTLQCGBG-CYBMUJFWSA-N 1 2 308.338 -0.739 20 30 DBEDLO CN1CC[N@H+](C)[C@H](CNC(=O)NC[C@@]2(O)CCSC2)C1 ZINC000330019504 530070681 /nfs/dbraw/zinc/07/06/81/530070681.db2.gz VEDUGJVSMIAQCQ-YPMHNXCESA-N 1 2 302.444 -0.396 20 30 DBEDLO CN1CC[N@@H+](C)[C@H](CNC(=O)NC[C@@]2(O)CCSC2)C1 ZINC000330019504 530070682 /nfs/dbraw/zinc/07/06/82/530070682.db2.gz VEDUGJVSMIAQCQ-YPMHNXCESA-N 1 2 302.444 -0.396 20 30 DBEDLO CC[C@@H]1C[N@H+](CCNC(=O)NCCn2cnc(C#N)n2)CCO1 ZINC000357877531 138146694 /nfs/dbraw/zinc/14/66/94/138146694.db2.gz LGYXBJHGDZXFIR-GFCCVEGCSA-N 1 2 321.385 -0.440 20 30 DBEDLO CC[C@@H]1C[N@@H+](CCNC(=O)NCCn2cnc(C#N)n2)CCO1 ZINC000357877531 138146695 /nfs/dbraw/zinc/14/66/95/138146695.db2.gz LGYXBJHGDZXFIR-GFCCVEGCSA-N 1 2 321.385 -0.440 20 30 DBEDLO Cc1nccc(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)n1 ZINC000330104048 237279098 /nfs/dbraw/zinc/27/90/98/237279098.db2.gz GRVAYJFNWLRYEM-LBPRGKRZSA-N 1 2 309.370 -0.045 20 30 DBEDLO N#CCCCCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000170902524 237338452 /nfs/dbraw/zinc/33/84/52/237338452.db2.gz ZXMROWQSYCXVBO-CQSZACIVSA-N 1 2 322.409 -0.023 20 30 DBEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451884813 238388966 /nfs/dbraw/zinc/38/89/66/238388966.db2.gz DSLNDPODLMZOSA-RWMBFGLXSA-N 1 2 316.427 -0.225 20 30 DBEDLO C[C@@H](C#N)CN(C)S(=O)(=O)NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000451884813 238388970 /nfs/dbraw/zinc/38/89/70/238388970.db2.gz DSLNDPODLMZOSA-RWMBFGLXSA-N 1 2 316.427 -0.225 20 30 DBEDLO CN(CC[NH+]1CCOCC1)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000564948128 284074007 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C=CCCn1cc(C(=O)N(CC)[C@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001033980678 814617398 /nfs/dbraw/zinc/61/73/98/814617398.db2.gz XHQLPUMTWMIXQP-LBPRGKRZSA-N 1 2 320.397 -0.124 20 30 DBEDLO C=CCn1cc(C(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001033980162 814617594 /nfs/dbraw/zinc/61/75/94/814617594.db2.gz QBQZJDAMZQFNIZ-NEPJUHHUSA-N 1 2 320.397 -0.126 20 30 DBEDLO C=CCn1cc(C(=O)N(CC)[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001033980162 814617596 /nfs/dbraw/zinc/61/75/96/814617596.db2.gz QBQZJDAMZQFNIZ-NEPJUHHUSA-N 1 2 320.397 -0.126 20 30 DBEDLO C=CCn1cc(C(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001033980165 814617676 /nfs/dbraw/zinc/61/76/76/814617676.db2.gz QBQZJDAMZQFNIZ-RYUDHWBXSA-N 1 2 320.397 -0.126 20 30 DBEDLO C=CCn1cc(C(=O)N(CC)[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001033980165 814617678 /nfs/dbraw/zinc/61/76/78/814617678.db2.gz QBQZJDAMZQFNIZ-RYUDHWBXSA-N 1 2 320.397 -0.126 20 30 DBEDLO C#CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001035397866 814919077 /nfs/dbraw/zinc/91/90/77/814919077.db2.gz HRCFEXHCWJQJCV-GFCCVEGCSA-N 1 2 304.350 -0.271 20 30 DBEDLO C#CCC[N@H+]1CCO[C@H](CNC(=O)c2cc3n(n2)CCO3)C1 ZINC001035397866 814919082 /nfs/dbraw/zinc/91/90/82/814919082.db2.gz HRCFEXHCWJQJCV-GFCCVEGCSA-N 1 2 304.350 -0.271 20 30 DBEDLO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041450250 815620407 /nfs/dbraw/zinc/62/04/07/815620407.db2.gz CHGAKIIANDOPHG-UKRRQHHQSA-N 1 2 310.419 -0.021 20 30 DBEDLO C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001041450250 815620409 /nfs/dbraw/zinc/62/04/09/815620409.db2.gz CHGAKIIANDOPHG-UKRRQHHQSA-N 1 2 310.419 -0.021 20 30 DBEDLO CC#CC[N@@H+]1CC[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 ZINC001042079005 815819839 /nfs/dbraw/zinc/81/98/39/815819839.db2.gz ZVAPJBUBMZHUNY-GXTWGEPZSA-N 1 2 310.419 -0.023 20 30 DBEDLO CC#CC[N@H+]1CC[C@H]2CCN(C(=O)C3CS(=O)(=O)C3)C[C@H]21 ZINC001042079005 815819846 /nfs/dbraw/zinc/81/98/46/815819846.db2.gz ZVAPJBUBMZHUNY-GXTWGEPZSA-N 1 2 310.419 -0.023 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DBEDLO CC(C)C#CC(=O)NC[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001065522441 819904531 /nfs/dbraw/zinc/90/45/31/819904531.db2.gz WAHMMKBNRQAVMI-CYBMUJFWSA-N 1 2 318.377 -0.045 20 30 DBEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 ZINC001065556394 819911272 /nfs/dbraw/zinc/91/12/72/819911272.db2.gz HEUGJMXZZYOZMB-JQWIXIFHSA-N 1 2 319.365 -0.236 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001065669986 819943804 /nfs/dbraw/zinc/94/38/04/819943804.db2.gz AQJKUGYFYKLKSJ-CMPLNLGQSA-N 1 2 305.338 -0.545 20 30 DBEDLO C=CCOCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001065674988 819945324 /nfs/dbraw/zinc/94/53/24/819945324.db2.gz JXNXJGLKYLNOOG-ZDUSSCGKSA-N 1 2 322.365 -0.502 20 30 DBEDLO COCCC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001065711192 819950947 /nfs/dbraw/zinc/95/09/47/819950947.db2.gz JESQXVPMEJEPPI-ZIAGYGMSSA-N 1 2 322.409 -0.072 20 30 DBEDLO N#Cc1nccc(NC[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001068500449 820197567 /nfs/dbraw/zinc/19/75/67/820197567.db2.gz AUKOLOYCGPKUPS-HAQNSBGRSA-N 1 2 311.349 -0.026 20 30 DBEDLO C[C@H](C#N)C(=O)N[C@@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001069009152 820280323 /nfs/dbraw/zinc/28/03/23/820280323.db2.gz XEHUICNBLMYFDN-PWSUYJOCSA-N 1 2 317.349 -0.402 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069888430 820325073 /nfs/dbraw/zinc/32/50/73/820325073.db2.gz XKGIENJUKXLJHZ-KGLIPLIRSA-N 1 2 303.366 -0.321 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001069888430 820325084 /nfs/dbraw/zinc/32/50/84/820325084.db2.gz XKGIENJUKXLJHZ-KGLIPLIRSA-N 1 2 303.366 -0.321 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001069892980 820329357 /nfs/dbraw/zinc/32/93/57/820329357.db2.gz ZLNNJMSITWRVPG-RDBSUJKOSA-N 1 2 303.366 -0.178 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001069892980 820329368 /nfs/dbraw/zinc/32/93/68/820329368.db2.gz ZLNNJMSITWRVPG-RDBSUJKOSA-N 1 2 303.366 -0.178 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)n2cccn2)[C@@H](n2ccnn2)C1 ZINC001069898625 820330491 /nfs/dbraw/zinc/33/04/91/820330491.db2.gz SLWQUJQYEFUSBT-MCIONIFRSA-N 1 2 313.365 -0.290 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2cccn2)[C@@H](n2ccnn2)C1 ZINC001069898625 820330502 /nfs/dbraw/zinc/33/05/02/820330502.db2.gz SLWQUJQYEFUSBT-MCIONIFRSA-N 1 2 313.365 -0.290 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069917600 820347583 /nfs/dbraw/zinc/34/75/83/820347583.db2.gz ZRPVLTSYCFJESL-KGLIPLIRSA-N 1 2 313.365 -0.771 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001069917600 820347593 /nfs/dbraw/zinc/34/75/93/820347593.db2.gz ZRPVLTSYCFJESL-KGLIPLIRSA-N 1 2 313.365 -0.771 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)[C@@H](n2ccnn2)C1 ZINC001069920453 820349129 /nfs/dbraw/zinc/34/91/29/820349129.db2.gz NVMKLPBMTOZVQE-YPMHNXCESA-N 1 2 314.353 -0.915 20 30 DBEDLO 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ZINC001101424298 827106005 /nfs/dbraw/zinc/10/60/05/827106005.db2.gz HJESSNSXMBJPKP-CJNGLKHVSA-N 1 2 317.393 -0.223 20 30 DBEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H](C)NC(N)=O)c1nccn12 ZINC001101624419 827125437 /nfs/dbraw/zinc/12/54/37/827125437.db2.gz UWRNXSBZPZEFJO-QWRGUYRKSA-N 1 2 318.381 -0.302 20 30 DBEDLO C=CCOCC(=O)NCCC1(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001163799655 833168564 /nfs/dbraw/zinc/16/85/64/833168564.db2.gz SMOJBCXFGZDJJD-UHFFFAOYSA-N 1 2 308.386 -0.211 20 30 DBEDLO C[C@H](C[N@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)CSCC#N ZINC001275506163 833187131 /nfs/dbraw/zinc/18/71/31/833187131.db2.gz MTDZVROBQXNKMU-SECBINFHSA-N 1 2 312.399 -0.698 20 30 DBEDLO C[C@H](C[N@@H+](C)Cc1nc(=O)n(C)[nH]1)NC(=O)CSCC#N ZINC001275506163 833187132 /nfs/dbraw/zinc/18/71/32/833187132.db2.gz MTDZVROBQXNKMU-SECBINFHSA-N 1 2 312.399 -0.698 20 30 DBEDLO C=C[C@](C)(O)CC(=O)N[C@H](C)C[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001275544215 833189004 /nfs/dbraw/zinc/18/90/04/833189004.db2.gz KVXBCZXFLWMMJQ-YGRLFVJLSA-N 1 2 311.386 -0.628 20 30 DBEDLO C=C[C@](C)(O)CC(=O)N[C@H](C)C[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001275544215 833189006 /nfs/dbraw/zinc/18/90/06/833189006.db2.gz KVXBCZXFLWMMJQ-YGRLFVJLSA-N 1 2 311.386 -0.628 20 30 DBEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)C3CC3)C2)nn1 ZINC001105129748 827383593 /nfs/dbraw/zinc/38/35/93/827383593.db2.gz ZXUXYAKGOUNMQR-UHFFFAOYSA-N 1 2 318.381 -0.537 20 30 DBEDLO C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CCC)C2)nn1 ZINC001105136845 827386715 /nfs/dbraw/zinc/38/67/15/827386715.db2.gz IQIKGHBKMVEBDI-UHFFFAOYSA-N 1 2 320.397 -0.147 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnccn3)C2)nn1 ZINC001105142457 827388079 /nfs/dbraw/zinc/38/80/79/827388079.db2.gz NXAYUBWIGSLTEQ-UHFFFAOYSA-N 1 2 311.349 -0.122 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3snnc3C)C2)nn1 ZINC001105152777 827390793 /nfs/dbraw/zinc/39/07/93/827390793.db2.gz GYJHJGULSUOWOW-UHFFFAOYSA-N 1 2 317.378 -0.142 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3COCCO3)C2)nn1 ZINC001105165599 827394754 /nfs/dbraw/zinc/39/47/54/827394754.db2.gz SCZCKBDKJADRGD-CQSZACIVSA-N 1 2 319.365 -0.810 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cc(C)on3)C2)nn1 ZINC001105195054 827402768 /nfs/dbraw/zinc/40/27/68/827402768.db2.gz WTQDLTKRLPMJNY-UHFFFAOYSA-N 1 2 314.349 -0.077 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCc3nnc[nH]3)C2)nn1 ZINC001105205271 827404736 /nfs/dbraw/zinc/40/47/36/827404736.db2.gz OMMMZQVSENLVBE-UHFFFAOYSA-N 1 2 314.353 -0.865 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCCO3)C2)nn1 ZINC001105211748 827406358 /nfs/dbraw/zinc/40/63/58/827406358.db2.gz XWMAWHUSFFNFPA-CQSZACIVSA-N 1 2 303.366 -0.047 20 30 DBEDLO C#CCCCCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105219604 827408481 /nfs/dbraw/zinc/40/84/81/827408481.db2.gz HXDBMLBQAHPMGS-UHFFFAOYSA-N 1 2 318.381 -0.570 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3coc(C)n3)C2)nn1 ZINC001105221796 827409757 /nfs/dbraw/zinc/40/97/57/827409757.db2.gz WIPJBJKEDOGYPE-UHFFFAOYSA-N 1 2 300.322 -0.006 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3nnc(C)[nH]3)C2)nn1 ZINC001105235769 827411763 /nfs/dbraw/zinc/41/17/63/827411763.db2.gz RNPCNMIDWMBBHF-UHFFFAOYSA-N 1 2 314.353 -0.947 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC3(O)CCC3)C2)nn1 ZINC001105233212 827412379 /nfs/dbraw/zinc/41/23/79/827412379.db2.gz NQSQOZWIBZHCAJ-UHFFFAOYSA-N 1 2 303.366 -0.311 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]nc3CC)C2)nn1 ZINC001105275472 827417921 /nfs/dbraw/zinc/41/79/21/827417921.db2.gz RASZDHRFDOMDNA-UHFFFAOYSA-N 1 2 313.365 -0.017 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@@H](C)CO3)C2)nn1 ZINC001105285990 827420046 /nfs/dbraw/zinc/42/00/46/827420046.db2.gz ZYTJEDJWWVDXEM-BXUZGUMPSA-N 1 2 303.366 -0.191 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]nc3C)C2)nn1 ZINC001105294791 827420156 /nfs/dbraw/zinc/42/01/56/827420156.db2.gz GVHIJJAGUILNKA-UHFFFAOYSA-N 1 2 300.326 -0.875 20 30 DBEDLO C=C(C)C[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105309917 827423893 /nfs/dbraw/zinc/42/38/93/827423893.db2.gz IDBGROFVKLWYDO-NSHDSACASA-N 1 2 320.397 -0.161 20 30 DBEDLO C=C[C@@](C)(CC)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105322609 827427321 /nfs/dbraw/zinc/42/73/21/827427321.db2.gz XFPSZNXUHJVLEQ-HNNXBMFYSA-N 1 2 320.397 -0.161 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]3(C)CCC(=O)N3)C2)nn1 ZINC001105322329 827427596 /nfs/dbraw/zinc/42/75/96/827427596.db2.gz KGKYVWHTOVQXCN-HNNXBMFYSA-N 1 2 316.365 -0.947 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3n[nH]cc3F)C2)nn1 ZINC001105322115 827427848 /nfs/dbraw/zinc/42/78/48/827427848.db2.gz AHBXPKDJKCWUNF-UHFFFAOYSA-N 1 2 317.328 -0.050 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(C)(C)NC(C)=O)C2)nn1 ZINC001105343904 827432324 /nfs/dbraw/zinc/43/23/24/827432324.db2.gz BQXPMGWUEUFIFD-UHFFFAOYSA-N 1 2 318.381 -0.701 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncccn3)C2)nn1 ZINC001105349069 827435019 /nfs/dbraw/zinc/43/50/19/827435019.db2.gz CVQCPIVUNBVJEL-UHFFFAOYSA-N 1 2 311.349 -0.122 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(C)CCOC3)C2)nn1 ZINC001105350212 827436049 /nfs/dbraw/zinc/43/60/49/827436049.db2.gz YOBVXVPKSZFMCQ-HNNXBMFYSA-N 1 2 303.366 -0.189 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COCCCOC)C2)nn1 ZINC001105359567 827438447 /nfs/dbraw/zinc/43/84/47/827438447.db2.gz NIXKGBDKSXKKNA-UHFFFAOYSA-N 1 2 321.381 -0.563 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC(=O)N3)C2)nn1 ZINC001105365161 827439912 /nfs/dbraw/zinc/43/99/12/827439912.db2.gz JODPKAJOBGAZTH-ZDUSSCGKSA-N 1 2 316.365 -0.947 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnc(C)n3)C2)nn1 ZINC001105374080 827442168 /nfs/dbraw/zinc/44/21/68/827442168.db2.gz GUVZDUCMLGAOIF-UHFFFAOYSA-N 1 2 311.349 -0.204 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COCCC=C)C2)nn1 ZINC001105380752 827443147 /nfs/dbraw/zinc/44/31/47/827443147.db2.gz FFCBCZBDKRIRKI-UHFFFAOYSA-N 1 2 303.366 -0.023 20 30 DBEDLO C=C[C@@](C)(O)CC(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105703908 827465031 /nfs/dbraw/zinc/46/50/31/827465031.db2.gz KOYUPPVPTKXCTE-MRXNPFEDSA-N 1 2 312.410 -0.002 20 30 DBEDLO C=CCOCC(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105746407 827483508 /nfs/dbraw/zinc/48/35/08/827483508.db2.gz CVYKVMCDKYRKHY-JTQLQIEISA-N 1 2 320.353 -0.545 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105774840 827499126 /nfs/dbraw/zinc/49/91/26/827499126.db2.gz WHKCHLBFKRLEDV-IUCAKERBSA-N 1 2 303.326 -0.588 20 30 DBEDLO N#Cc1cnccc1NC[C@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001105802602 827511672 /nfs/dbraw/zinc/51/16/72/827511672.db2.gz BFNLOJKJPYGCQV-LBPRGKRZSA-N 1 2 314.349 -0.380 20 30 DBEDLO C[C@@H](CNC(=O)CSCC#N)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001275775145 833208463 /nfs/dbraw/zinc/20/84/63/833208463.db2.gz UWRRKQXFHDJLAH-VIFPVBQESA-N 1 2 312.399 -0.698 20 30 DBEDLO C[C@@H](CNC(=O)CSCC#N)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001275775145 833208467 /nfs/dbraw/zinc/20/84/67/833208467.db2.gz UWRRKQXFHDJLAH-VIFPVBQESA-N 1 2 312.399 -0.698 20 30 DBEDLO Cc1cc(C#N)nc(NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001105881816 827543018 /nfs/dbraw/zinc/54/30/18/827543018.db2.gz AGMVZMLOFHKZDZ-LBPRGKRZSA-N 1 2 315.337 -0.558 20 30 DBEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001275846382 833213630 /nfs/dbraw/zinc/21/36/30/833213630.db2.gz ZCLQYNWMGPSERN-CYBMUJFWSA-N 1 2 324.425 -0.262 20 30 DBEDLO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001275846382 833213635 /nfs/dbraw/zinc/21/36/35/833213635.db2.gz ZCLQYNWMGPSERN-CYBMUJFWSA-N 1 2 324.425 -0.262 20 30 DBEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001105920513 827555578 /nfs/dbraw/zinc/55/55/78/827555578.db2.gz HMWPGFVQMQOUAF-JTQLQIEISA-N 1 2 315.337 -0.489 20 30 DBEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001105937338 827562646 /nfs/dbraw/zinc/56/26/46/827562646.db2.gz JSJXLDBIWGAQPY-NSHDSACASA-N 1 2 300.322 -0.192 20 30 DBEDLO N#Cc1cncc(NC[C@@H](O)CNC(=O)CCn2cc[nH+]c2)n1 ZINC001106037970 827595180 /nfs/dbraw/zinc/59/51/80/827595180.db2.gz HRZPFPWOGLOBFI-GFCCVEGCSA-N 1 2 315.337 -0.476 20 30 DBEDLO N#Cc1nccnc1NC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001106039633 827595286 /nfs/dbraw/zinc/59/52/86/827595286.db2.gz SPJOTUDACQDGPZ-NSHDSACASA-N 1 2 315.337 -0.476 20 30 DBEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)nn1 ZINC001106130584 827626230 /nfs/dbraw/zinc/62/62/30/827626230.db2.gz WSIYFPOHMYYHSU-NSHDSACASA-N 1 2 301.310 -0.797 20 30 DBEDLO N#Cc1cncc(NC[C@H](O)CNC(=O)CCc2c[nH]c[nH+]2)n1 ZINC001106149606 827632251 /nfs/dbraw/zinc/63/22/51/827632251.db2.gz BZOVUKJAXIJJGX-LBPRGKRZSA-N 1 2 315.337 -0.407 20 30 DBEDLO N#Cc1cncc(NC[C@H](O)CNC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001106149606 827632257 /nfs/dbraw/zinc/63/22/57/827632257.db2.gz BZOVUKJAXIJJGX-LBPRGKRZSA-N 1 2 315.337 -0.407 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CNC(=O)OC)nn2)C1 ZINC001107137428 827709495 /nfs/dbraw/zinc/70/94/95/827709495.db2.gz WLKZMRTUIRRUHL-UHFFFAOYSA-N 1 2 322.369 -0.317 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3cnn(C)c3)nn2)C1 ZINC001107142578 827710757 /nfs/dbraw/zinc/71/07/57/827710757.db2.gz KGDCVRRRGLXPCG-UHFFFAOYSA-N 1 2 315.381 -0.087 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CNC(=O)CCC)nn2)C1 ZINC001107140504 827711016 /nfs/dbraw/zinc/71/10/16/827711016.db2.gz HQWQJVGNSWFBLJ-UHFFFAOYSA-N 1 2 320.397 -0.147 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)COCC=C)nn2)C1 ZINC001107146736 827711706 /nfs/dbraw/zinc/71/17/06/827711706.db2.gz PHKQOKVKXWHLSG-UHFFFAOYSA-N 1 2 303.366 -0.023 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)COCCOC)nn2)C1 ZINC001107149292 827712788 /nfs/dbraw/zinc/71/27/88/827712788.db2.gz AJIRFAAESCQSCC-UHFFFAOYSA-N 1 2 323.397 -0.010 20 30 DBEDLO C=C[C@@](C)(O)CC(=O)NCc1cn(C2C[NH+](CCOC)C2)nn1 ZINC001107164136 827717094 /nfs/dbraw/zinc/71/70/94/827717094.db2.gz RNWPWIYXWCRUPF-OAHLLOKOSA-N 1 2 323.397 -0.276 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3nnc(C)o3)nn2)C1 ZINC001107166888 827717822 /nfs/dbraw/zinc/71/78/22/827717822.db2.gz FOQGSDVMEWQBDM-UHFFFAOYSA-N 1 2 317.353 -0.129 20 30 DBEDLO C#CCOCCC(=O)NCc1cn(C2C[NH+](CC=C)C2)nn1 ZINC001107170823 827720089 /nfs/dbraw/zinc/72/00/89/827720089.db2.gz DYYVKVHEUXAHMK-UHFFFAOYSA-N 1 2 303.366 -0.023 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cn3ncnn3)nn2)C1 ZINC001107172608 827720167 /nfs/dbraw/zinc/72/01/67/827720167.db2.gz CIZYMTCVMSZMTN-UHFFFAOYSA-N 1 2 317.357 -0.986 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C(C)(C)C(N)=O)nn2)C1 ZINC001107180295 827721694 /nfs/dbraw/zinc/72/16/94/827721694.db2.gz LSUNNBXVOYBVEO-UHFFFAOYSA-N 1 2 320.397 -0.161 20 30 DBEDLO CC#CCCCC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107197911 827724880 /nfs/dbraw/zinc/72/48/80/827724880.db2.gz MIOKFJMKVTXZOH-UHFFFAOYSA-N 1 2 305.382 -0.063 20 30 DBEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2cn(CCOC)nn2)C1 ZINC001276050555 833239667 /nfs/dbraw/zinc/23/96/67/833239667.db2.gz GPTZLDFYXFLQIZ-UHFFFAOYSA-N 1 2 321.381 -0.886 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](COC)OC)nn2)C1 ZINC001107207764 827727455 /nfs/dbraw/zinc/72/74/55/827727455.db2.gz DQVMLACCXVILES-CYBMUJFWSA-N 1 2 309.370 -0.402 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OCCOC)nn2)C1 ZINC001107217471 827729155 /nfs/dbraw/zinc/72/91/55/827729155.db2.gz MLASYNNGQROWSZ-GFCCVEGCSA-N 1 2 323.397 -0.012 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cn3cncn3)nn2)C1 ZINC001107234550 827733442 /nfs/dbraw/zinc/73/34/42/827733442.db2.gz IMEJBWRAGHLVAC-UHFFFAOYSA-N 1 2 302.342 -0.771 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)COCCOCC)nn2)C1 ZINC001107238554 827733926 /nfs/dbraw/zinc/73/39/26/827733926.db2.gz CBZHQADMKOFHSJ-UHFFFAOYSA-N 1 2 323.397 -0.010 20 30 DBEDLO C=CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107241227 827735474 /nfs/dbraw/zinc/73/54/74/827735474.db2.gz PFEYGLGVOWLCSQ-NSHDSACASA-N 1 2 309.370 -0.666 20 30 DBEDLO C=CC(C)(C)C(=O)NC1(CCO)C[NH+](C[C@H](O)COC)C1 ZINC001276075297 833242101 /nfs/dbraw/zinc/24/21/01/833242101.db2.gz DOUCCOJOVRWHMR-LBPRGKRZSA-N 1 2 300.399 -0.241 20 30 DBEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2c[nH]c(=O)cc2OC)C1 ZINC001276082201 833242844 /nfs/dbraw/zinc/24/28/44/833242844.db2.gz DCQOYZCGBWRVKM-UHFFFAOYSA-N 1 2 319.361 -0.014 20 30 DBEDLO C#CCC[NH+]1CC(CCO)(NC(=O)CCc2cncn2C)C1 ZINC001276101463 833244513 /nfs/dbraw/zinc/24/45/13/833244513.db2.gz WCOSAAOHAZHHEZ-UHFFFAOYSA-N 1 2 304.394 -0.071 20 30 DBEDLO C#Cc1ccc(C(=O)NC2(CCO)C[NH+](C[C@@H](C)O)C2)nc1 ZINC001276101154 833245064 /nfs/dbraw/zinc/24/50/64/833245064.db2.gz NUWQYJNOXWDEKV-GFCCVEGCSA-N 1 2 303.362 -0.390 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cnn(C)c2N)C1 ZINC001107888226 827826455 /nfs/dbraw/zinc/82/64/55/827826455.db2.gz LJJMMPLHTYNZTP-HNNXBMFYSA-N 1 2 305.382 -0.154 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cnn(C)c2N)C1 ZINC001107888226 827826464 /nfs/dbraw/zinc/82/64/64/827826464.db2.gz LJJMMPLHTYNZTP-HNNXBMFYSA-N 1 2 305.382 -0.154 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001107982509 827859031 /nfs/dbraw/zinc/85/90/31/827859031.db2.gz BEYYMMQOFLPKIH-WBMJQRKESA-N 1 2 323.393 -0.083 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001107982509 827859035 /nfs/dbraw/zinc/85/90/35/827859035.db2.gz BEYYMMQOFLPKIH-WBMJQRKESA-N 1 2 323.393 -0.083 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001107995249 827861678 /nfs/dbraw/zinc/86/16/78/827861678.db2.gz XJOIAGZKSBOMOO-BBRMVZONSA-N 1 2 307.394 -0.257 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CCNC2=O)C1 ZINC001107995249 827861693 /nfs/dbraw/zinc/86/16/93/827861693.db2.gz XJOIAGZKSBOMOO-BBRMVZONSA-N 1 2 307.394 -0.257 20 30 DBEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001108096232 827893051 /nfs/dbraw/zinc/89/30/51/827893051.db2.gz NCTOXVIJEZBXMG-OAHLLOKOSA-N 1 2 323.397 -0.635 20 30 DBEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCn2ncn(C)c2=O)C1 ZINC001108096232 827893055 /nfs/dbraw/zinc/89/30/55/827893055.db2.gz NCTOXVIJEZBXMG-OAHLLOKOSA-N 1 2 323.397 -0.635 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001108119471 827900270 /nfs/dbraw/zinc/90/02/70/827900270.db2.gz NVORIWFKNXICJD-WFASDCNBSA-N 1 2 308.382 -0.760 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001108119471 827900275 /nfs/dbraw/zinc/90/02/75/827900275.db2.gz NVORIWFKNXICJD-WFASDCNBSA-N 1 2 308.382 -0.760 20 30 DBEDLO C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001108224504 827922739 /nfs/dbraw/zinc/92/27/39/827922739.db2.gz NCVBBJIEWCNQDJ-HNNXBMFYSA-N 1 2 305.382 -0.032 20 30 DBEDLO C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001108224504 827922743 /nfs/dbraw/zinc/92/27/43/827922743.db2.gz NCVBBJIEWCNQDJ-HNNXBMFYSA-N 1 2 305.382 -0.032 20 30 DBEDLO C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001108224504 827922748 /nfs/dbraw/zinc/92/27/48/827922748.db2.gz NCVBBJIEWCNQDJ-HNNXBMFYSA-N 1 2 305.382 -0.032 20 30 DBEDLO C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001108224504 827922755 /nfs/dbraw/zinc/92/27/55/827922755.db2.gz NCVBBJIEWCNQDJ-HNNXBMFYSA-N 1 2 305.382 -0.032 20 30 DBEDLO C=CCCn1cc(C(=O)NC[C@@]2(C)C[N@H+](CCO)CCO2)nn1 ZINC001108270595 827930982 /nfs/dbraw/zinc/93/09/82/827930982.db2.gz LFQRGYIQWCOURH-HNNXBMFYSA-N 1 2 323.397 -0.333 20 30 DBEDLO C=CCCn1cc(C(=O)NC[C@@]2(C)C[N@@H+](CCO)CCO2)nn1 ZINC001108270595 827930989 /nfs/dbraw/zinc/93/09/89/827930989.db2.gz LFQRGYIQWCOURH-HNNXBMFYSA-N 1 2 323.397 -0.333 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001108276857 827932542 /nfs/dbraw/zinc/93/25/42/827932542.db2.gz VWWBZCPAAAXWOB-OAHLLOKOSA-N 1 2 307.394 -0.257 20 30 DBEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001108276857 827932550 /nfs/dbraw/zinc/93/25/50/827932550.db2.gz VWWBZCPAAAXWOB-OAHLLOKOSA-N 1 2 307.394 -0.257 20 30 DBEDLO C=CCOCC[N@@H+]1CCO[C@](C)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001108335107 827951415 /nfs/dbraw/zinc/95/14/15/827951415.db2.gz WRTRIDFFDIYFLJ-OAHLLOKOSA-N 1 2 323.397 -0.243 20 30 DBEDLO C=CCOCC[N@H+]1CCO[C@](C)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001108335107 827951423 /nfs/dbraw/zinc/95/14/23/827951423.db2.gz WRTRIDFFDIYFLJ-OAHLLOKOSA-N 1 2 323.397 -0.243 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2nc(C)ccc2=O)C1 ZINC001108354478 827954820 /nfs/dbraw/zinc/95/48/20/827954820.db2.gz ILUOGRJFJSDOEV-INIZCTEOSA-N 1 2 320.393 -0.055 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2nc(C)ccc2=O)C1 ZINC001108354478 827954822 /nfs/dbraw/zinc/95/48/22/827954822.db2.gz ILUOGRJFJSDOEV-INIZCTEOSA-N 1 2 320.393 -0.055 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001108373346 827960025 /nfs/dbraw/zinc/96/00/25/827960025.db2.gz UGIDJJYYQGYVCQ-HNNXBMFYSA-N 1 2 323.397 -0.717 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)Cn2nc(C)n(C)c2=O)C1 ZINC001108373346 827960031 /nfs/dbraw/zinc/96/00/31/827960031.db2.gz UGIDJJYYQGYVCQ-HNNXBMFYSA-N 1 2 323.397 -0.717 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001108426233 827972171 /nfs/dbraw/zinc/97/21/71/827972171.db2.gz LGMQEAKJTLNMSJ-INIZCTEOSA-N 1 2 320.393 -0.432 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)n2C)C1 ZINC001108426233 827972176 /nfs/dbraw/zinc/97/21/76/827972176.db2.gz LGMQEAKJTLNMSJ-INIZCTEOSA-N 1 2 320.393 -0.432 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001108439219 827975987 /nfs/dbraw/zinc/97/59/87/827975987.db2.gz DSLZJKYZMRZYLW-WFASDCNBSA-N 1 2 310.398 -0.077 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCCN2C(N)=O)C1 ZINC001108439219 827975997 /nfs/dbraw/zinc/97/59/97/827975997.db2.gz DSLZJKYZMRZYLW-WFASDCNBSA-N 1 2 310.398 -0.077 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001108443871 827976985 /nfs/dbraw/zinc/97/69/85/827976985.db2.gz UGHHWXSNBMRVGM-INIZCTEOSA-N 1 2 319.409 -0.022 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001108443871 827976994 /nfs/dbraw/zinc/97/69/94/827976994.db2.gz UGHHWXSNBMRVGM-INIZCTEOSA-N 1 2 319.409 -0.022 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CNC(=O)CCC)CC2=O)C1 ZINC001108515759 827993079 /nfs/dbraw/zinc/99/30/79/827993079.db2.gz PKGTWMIHKXAWLG-LBPRGKRZSA-N 1 2 322.409 -0.510 20 30 DBEDLO CC(C)OCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 ZINC001108527835 827997716 /nfs/dbraw/zinc/99/77/16/827997716.db2.gz PJIFJTSAZBCLKJ-STQMWFEESA-N 1 2 322.409 -0.028 20 30 DBEDLO C#CCOCCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CC=C)C2)C1 ZINC001108545885 828005686 /nfs/dbraw/zinc/00/56/86/828005686.db2.gz IJKFIODHEPCLKC-ZDUSSCGKSA-N 1 2 305.378 -0.386 20 30 DBEDLO C#CCOCCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCOC)C2)C1 ZINC001108545734 828006136 /nfs/dbraw/zinc/00/61/36/828006136.db2.gz DKHFGKIXZKZMNO-ZDUSSCGKSA-N 1 2 323.393 -0.926 20 30 DBEDLO C=CC(C)(C)CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108548834 828008974 /nfs/dbraw/zinc/00/89/74/828008974.db2.gz XNEHBCDCEGWKLU-GFCCVEGCSA-N 1 2 309.410 -0.018 20 30 DBEDLO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108567116 828015773 /nfs/dbraw/zinc/01/57/73/828015773.db2.gz VYHREAUZTJMKGZ-OLZOCXBDSA-N 1 2 309.410 -0.018 20 30 DBEDLO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108567117 828016995 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C=CCNC(=O)C[NH+]1CC(CNC(=O)c2c(C)nn(C)c2F)C1 ZINC001267696973 835567990 /nfs/dbraw/zinc/56/79/90/835567990.db2.gz BXFYDCUVGATOGE-UHFFFAOYSA-N 1 2 323.372 -0.169 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001267717930 835573786 /nfs/dbraw/zinc/57/37/86/835573786.db2.gz QPIWGSJOUDIHJU-AAEUAGOBSA-N 1 2 303.366 -0.638 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001267717930 835573791 /nfs/dbraw/zinc/57/37/91/835573791.db2.gz QPIWGSJOUDIHJU-AAEUAGOBSA-N 1 2 303.366 -0.638 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(OC)nn2)C1 ZINC001267732715 835581335 /nfs/dbraw/zinc/58/13/35/835581335.db2.gz MAHFFQIRHWFLJN-NSHDSACASA-N 1 2 319.365 -0.409 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(OC)nn2)C1 ZINC001267732715 835581336 /nfs/dbraw/zinc/58/13/36/835581336.db2.gz MAHFFQIRHWFLJN-NSHDSACASA-N 1 2 319.365 -0.409 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cncnc2)C1 ZINC001267740556 835584597 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/nfs/dbraw/zinc/27/33/88/826273388.db2.gz CKZJZQUVUMJGEY-LLVKDONJSA-N 1 2 318.381 -0.594 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)Cc3cncnc3)CC2=O)C1 ZINC001094730263 826274141 /nfs/dbraw/zinc/27/41/41/826274141.db2.gz VUZWUCNVPKWGQW-CYBMUJFWSA-N 1 2 315.377 -0.394 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cnnn3C)CC2=O)C1 ZINC001094734088 826275756 /nfs/dbraw/zinc/27/57/56/826275756.db2.gz RBOPWZMUIYHDPF-JTQLQIEISA-N 1 2 304.354 -0.984 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC(=O)N(C)C3)CC2=O)C1 ZINC001094742235 826277852 /nfs/dbraw/zinc/27/78/52/826277852.db2.gz PKRACRIYZLVNTG-RYUDHWBXSA-N 1 2 320.393 -0.948 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCC(=O)NC3)CC2=O)C1 ZINC001094758272 826280960 /nfs/dbraw/zinc/28/09/60/826280960.db2.gz ZSPXWZHQAXCZAG-NWDGAFQWSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCC(=O)NC3)CC2=O)C1 ZINC001094758274 826281059 /nfs/dbraw/zinc/28/10/59/826281059.db2.gz ZSPXWZHQAXCZAG-VXGBXAGGSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)c3cnn[nH]3)CC2=O)C1 ZINC001094754156 826281180 /nfs/dbraw/zinc/28/11/80/826281180.db2.gz ZXUBHDJAYOFHTD-NSHDSACASA-N 1 2 318.381 -0.214 20 30 DBEDLO C=CCC[NH+]1CC(N2C[C@@H](NC(=O)c3cn[nH]n3)CC2=O)C1 ZINC001094755904 826281234 /nfs/dbraw/zinc/28/12/34/826281234.db2.gz JLTKMQPAPBQGEY-JTQLQIEISA-N 1 2 304.354 -0.604 20 30 DBEDLO C=CCC[NH+]1CC(N2C[C@@H](NC(=O)c3cnn[nH]3)CC2=O)C1 ZINC001094755904 826281237 /nfs/dbraw/zinc/28/12/37/826281237.db2.gz JLTKMQPAPBQGEY-JTQLQIEISA-N 1 2 304.354 -0.604 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3c[nH]c(=O)n3C)CC2=O)C1 ZINC001094770588 826283219 /nfs/dbraw/zinc/28/32/19/826283219.db2.gz FAMAZXKMOMJTHJ-JTQLQIEISA-N 1 2 319.365 -0.673 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)c3[nH]nnc3C)CC2=O)C1 ZINC001094771374 826283483 /nfs/dbraw/zinc/28/34/83/826283483.db2.gz JMCZYXDRADQRJN-LLVKDONJSA-N 1 2 318.381 -0.296 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCN(C)C3=O)CC2=O)C1 ZINC001094771308 826283906 /nfs/dbraw/zinc/28/39/06/826283906.db2.gz JACUDXDCYAPVKT-DGCLKSJQSA-N 1 2 320.393 -0.948 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CCC(=O)N3C)CC2=O)C1 ZINC001094778176 826285102 /nfs/dbraw/zinc/28/51/02/826285102.db2.gz LBOCLXQFSPTZJK-DGCLKSJQSA-N 1 2 320.393 -0.806 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@]3(F)CCOC3)CC2=O)C1 ZINC001094778007 826285157 /nfs/dbraw/zinc/28/51/57/826285157.db2.gz ISYOKPQXFBIZQB-ABAIWWIYSA-N 1 2 311.357 -0.298 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@]3(C)CCNC3=O)CC2=O)C1 ZINC001094783640 826286298 /nfs/dbraw/zinc/28/62/98/826286298.db2.gz UFNGVIOFQDNTFN-MEDUHNTESA-N 1 2 320.393 -0.900 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3OCC[C@H]3C)CC2=O)C1 ZINC001094787302 826287428 /nfs/dbraw/zinc/28/74/28/826287428.db2.gz RJONDXOCSBHFJB-JMSVASOKSA-N 1 2 307.394 -0.001 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3OCC[C@H]3C)CC2=O)C1 ZINC001094787303 826287546 /nfs/dbraw/zinc/28/75/46/826287546.db2.gz RJONDXOCSBHFJB-XUJVJEKNSA-N 1 2 307.394 -0.001 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3nc(C)c[nH]3)CC2=O)C1 ZINC001094792070 826288317 /nfs/dbraw/zinc/28/83/17/826288317.db2.gz LNOFCCXYYFMPCZ-LLVKDONJSA-N 1 2 303.366 -0.081 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3nc(C)c[nH]3)CC2=O)C1 ZINC001094792071 826288353 /nfs/dbraw/zinc/28/83/53/826288353.db2.gz LNOFCCXYYFMPCZ-NSHDSACASA-N 1 2 303.366 -0.081 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cnn(C)n3)CC2=O)C1 ZINC001094795045 826288905 /nfs/dbraw/zinc/28/89/05/826288905.db2.gz GATRLQJQVGGQPC-SNVBAGLBSA-N 1 2 304.354 -0.984 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cccnn3)CC2=O)C1 ZINC001094798806 826289145 /nfs/dbraw/zinc/28/91/45/826289145.db2.gz BSZYHCUNXFQUQP-NSHDSACASA-N 1 2 301.350 -0.323 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)c3nonc3C)CC2=O)C1 ZINC001094820610 826295242 /nfs/dbraw/zinc/29/52/42/826295242.db2.gz KLBGAUAZJGBDCP-NSHDSACASA-N 1 2 319.365 -0.031 20 30 DBEDLO C#CCNC(=O)CC(=O)N1CC[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001095035184 826303109 /nfs/dbraw/zinc/30/31/09/826303109.db2.gz QKBSYTQPNPPGBR-GFCCVEGCSA-N 1 2 301.350 -0.063 20 30 DBEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC ZINC001095555535 826332763 /nfs/dbraw/zinc/33/27/63/826332763.db2.gz RPZVMYFXEWBRPG-QPSCCSFWSA-N 1 2 318.421 -0.449 20 30 DBEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC ZINC001095555535 826332767 /nfs/dbraw/zinc/33/27/67/826332767.db2.gz RPZVMYFXEWBRPG-QPSCCSFWSA-N 1 2 318.421 -0.449 20 30 DBEDLO C[C@@H]1CN(C(=O)CSCC#N)C[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001274173390 833041120 /nfs/dbraw/zinc/04/11/20/833041120.db2.gz VPRVHMRRMAZNPJ-ZJUUUORDSA-N 1 2 309.399 -0.597 20 30 DBEDLO COCCC(=O)NCC[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC001096259759 826366440 /nfs/dbraw/zinc/36/64/40/826366440.db2.gz ILZZAHXAXSKYMY-UHFFFAOYSA-N 1 2 318.381 -0.377 20 30 DBEDLO CCOCC(=O)NCC[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC001096262269 826366488 /nfs/dbraw/zinc/36/64/88/826366488.db2.gz CMIPJBGKPVSODM-UHFFFAOYSA-N 1 2 318.381 -0.377 20 30 DBEDLO C[C@H](C#N)C(=O)NCC[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC001096277660 826367289 /nfs/dbraw/zinc/36/72/89/826367289.db2.gz BWRZQQFVDOTCNW-GFCCVEGCSA-N 1 2 313.365 -0.254 20 30 DBEDLO C#CCN1C[C@@]2(CC[N@@H+](Cc3cnc(OC)cn3)C2)OCC1=O ZINC001274232942 833047721 /nfs/dbraw/zinc/04/77/21/833047721.db2.gz IUAQZRNMTJBGPV-INIZCTEOSA-N 1 2 316.361 -0.078 20 30 DBEDLO C#CCN1C[C@@]2(CC[N@H+](Cc3cnc(OC)cn3)C2)OCC1=O ZINC001274232942 833047724 /nfs/dbraw/zinc/04/77/24/833047724.db2.gz IUAQZRNMTJBGPV-INIZCTEOSA-N 1 2 316.361 -0.078 20 30 DBEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C2 ZINC001097428238 826420699 /nfs/dbraw/zinc/42/06/99/826420699.db2.gz RFKLLDVGRPNFQR-MXWKQRLJSA-N 1 2 323.374 -0.105 20 30 DBEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C2 ZINC001097428238 826420702 /nfs/dbraw/zinc/42/07/02/826420702.db2.gz RFKLLDVGRPNFQR-MXWKQRLJSA-N 1 2 323.374 -0.105 20 30 DBEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)C2 ZINC001098017015 826446361 /nfs/dbraw/zinc/44/63/61/826446361.db2.gz PDZNXTFHRAKRIZ-NDBYEHHHSA-N 1 2 311.407 -0.625 20 30 DBEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCN(C)S1(=O)=O)C2 ZINC001098017015 826446362 /nfs/dbraw/zinc/44/63/62/826446362.db2.gz PDZNXTFHRAKRIZ-NDBYEHHHSA-N 1 2 311.407 -0.625 20 30 DBEDLO C#CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC)C2)nn1 ZINC001098587926 826502520 /nfs/dbraw/zinc/50/25/20/826502520.db2.gz CALLZCPQERZJPZ-CYBMUJFWSA-N 1 2 318.381 -0.700 20 30 DBEDLO COCC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COC)C2)nn1 ZINC001098586461 826502599 /nfs/dbraw/zinc/50/25/99/826502599.db2.gz GCQBBJDZKOJXGM-AWEZNQCLSA-N 1 2 321.381 -0.563 20 30 DBEDLO C#CCNC(=O)[C@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(C)=O)C2)nn1 ZINC001098592866 826504296 /nfs/dbraw/zinc/50/42/96/826504296.db2.gz ZAIJXYXSDKSXDW-SMDDNHRTSA-N 1 2 318.381 -0.701 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)NC(C)=O)C2)nn1 ZINC001098607887 826506977 /nfs/dbraw/zinc/50/69/77/826506977.db2.gz IFOYLRLPJUXZGI-FZMZJTMJSA-N 1 2 318.381 -0.701 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cccn3)C2)nn1 ZINC001098611932 826507158 /nfs/dbraw/zinc/50/71/58/826507158.db2.gz VTSLWQNSFSCKTN-AWEZNQCLSA-N 1 2 313.365 -0.329 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnn(C)c3)C2)nn1 ZINC001098608253 826507347 /nfs/dbraw/zinc/50/73/47/826507347.db2.gz QYKKWJMWQGAMFQ-CQSZACIVSA-N 1 2 313.365 -0.178 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)nn1 ZINC001098622987 826509259 /nfs/dbraw/zinc/50/92/59/826509259.db2.gz URHJRCUOGSRSCI-ZIAGYGMSSA-N 1 2 319.365 -0.810 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnsn3)C2)nn1 ZINC001098626448 826510367 /nfs/dbraw/zinc/51/03/67/826510367.db2.gz RGVFGXAINZUFAQ-LLVKDONJSA-N 1 2 317.378 -0.060 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCOC3)C2)nn1 ZINC001098633968 826511723 /nfs/dbraw/zinc/51/17/23/826511723.db2.gz NTOZIWJAKCJXAL-OCCSQVGLSA-N 1 2 303.366 -0.189 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(C)cn3)C2)nn1 ZINC001098654925 826515248 /nfs/dbraw/zinc/51/52/48/826515248.db2.gz CYTPGYQTOBXYIH-CYBMUJFWSA-N 1 2 313.365 -0.178 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cn(C)nn3)C2)nn1 ZINC001098667178 826515770 /nfs/dbraw/zinc/51/57/70/826515770.db2.gz SGWDHPWLYGHFQL-LBPRGKRZSA-N 1 2 314.353 -0.783 20 30 DBEDLO CC(C)C#CC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098669216 826517080 /nfs/dbraw/zinc/51/70/80/826517080.db2.gz KNSGMVRVBZPRTD-CYBMUJFWSA-N 1 2 318.381 -0.714 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)nn1 ZINC001098706007 826521426 /nfs/dbraw/zinc/52/14/26/826521426.db2.gz OVCFFVGMIHSKIM-HIFRSBDPSA-N 1 2 321.356 -0.097 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccncn3)C2)nn1 ZINC001098751447 826525327 /nfs/dbraw/zinc/52/53/27/826525327.db2.gz NJOAZWZPGROPQM-CYBMUJFWSA-N 1 2 311.349 -0.122 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCCC(N)=O)C2)nn1 ZINC001098789941 826529723 /nfs/dbraw/zinc/52/97/23/826529723.db2.gz KZLXFGUJEHMKKW-ZDUSSCGKSA-N 1 2 318.381 -0.570 20 30 DBEDLO C[C@@H](C#N)C(=O)N[C@H]1C[N@H+](CC(N)=O)CC2(CCOCC2)C1 ZINC001099574426 826571927 /nfs/dbraw/zinc/57/19/27/826571927.db2.gz FLJWNYIJIZRJAQ-NWDGAFQWSA-N 1 2 308.382 -0.381 20 30 DBEDLO C[C@@H](C#N)C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC2(CCOCC2)C1 ZINC001099574426 826571930 /nfs/dbraw/zinc/57/19/30/826571930.db2.gz FLJWNYIJIZRJAQ-NWDGAFQWSA-N 1 2 308.382 -0.381 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](O)C1 ZINC001099611731 826578079 /nfs/dbraw/zinc/57/80/79/826578079.db2.gz WOSAKMKBXJKZRR-KGLIPLIRSA-N 1 2 307.394 -0.523 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](O)C1 ZINC001099611731 826578085 /nfs/dbraw/zinc/57/80/85/826578085.db2.gz WOSAKMKBXJKZRR-KGLIPLIRSA-N 1 2 307.394 -0.523 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCCC2)[C@@H](O)C1 ZINC001099611730 826578614 /nfs/dbraw/zinc/57/86/14/826578614.db2.gz WOSAKMKBXJKZRR-KBPBESRZSA-N 1 2 307.394 -0.523 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCCC2)[C@@H](O)C1 ZINC001099611730 826578615 /nfs/dbraw/zinc/57/86/15/826578615.db2.gz WOSAKMKBXJKZRR-KBPBESRZSA-N 1 2 307.394 -0.523 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001099620092 826586094 /nfs/dbraw/zinc/58/60/94/826586094.db2.gz JBLKQJZTHYLSNG-KGLIPLIRSA-N 1 2 318.377 -0.451 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001099620092 826586098 /nfs/dbraw/zinc/58/60/98/826586098.db2.gz JBLKQJZTHYLSNG-KGLIPLIRSA-N 1 2 318.377 -0.451 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001099620091 826586506 /nfs/dbraw/zinc/58/65/06/826586506.db2.gz JBLKQJZTHYLSNG-KBPBESRZSA-N 1 2 318.377 -0.451 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccncc2)[C@@H](O)C1 ZINC001099620091 826586513 /nfs/dbraw/zinc/58/65/13/826586513.db2.gz JBLKQJZTHYLSNG-KBPBESRZSA-N 1 2 318.377 -0.451 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccnc2)[C@@H](O)C1 ZINC001099636085 826593505 /nfs/dbraw/zinc/59/35/05/826593505.db2.gz KFELWYSNSMFMKF-KBPBESRZSA-N 1 2 318.377 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DBEDLO N#Cc1nccc(NC[C@@H](O)CNC(=O)CCc2c[nH+]c[nH]2)n1 ZINC001106150104 827632437 /nfs/dbraw/zinc/63/24/37/827632437.db2.gz LGFDGUPYDGFYAH-LLVKDONJSA-N 1 2 315.337 -0.985 20 30 DBEDLO N#Cc1cnccc1NC[C@H](O)CNC(=O)CCc1c[nH]c[nH+]1 ZINC001106150427 827633053 /nfs/dbraw/zinc/63/30/53/827633053.db2.gz TVQAWENKPHJONU-ZDUSSCGKSA-N 1 2 314.349 -0.380 20 30 DBEDLO N#Cc1cnccc1NC[C@H](O)CNC(=O)CCc1c[nH+]c[nH]1 ZINC001106150427 827633060 /nfs/dbraw/zinc/63/30/60/827633060.db2.gz TVQAWENKPHJONU-ZDUSSCGKSA-N 1 2 314.349 -0.380 20 30 DBEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)CCOC)nn2)C1 ZINC001107113912 827702922 /nfs/dbraw/zinc/70/29/22/827702922.db2.gz WYVPBOXVDLFVSS-UHFFFAOYSA-N 1 2 323.397 -0.010 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CNC(C)=O)nn2)C1 ZINC001107114949 827703858 /nfs/dbraw/zinc/70/38/58/827703858.db2.gz QLHOZHPJSNAQTN-UHFFFAOYSA-N 1 2 306.370 -0.537 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)NC(C)=O)nn2)C1 ZINC001107120057 827705195 /nfs/dbraw/zinc/70/51/95/827705195.db2.gz 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-0.472 20 30 DBEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCNC(=O)CC1 ZINC001121510903 829490279 /nfs/dbraw/zinc/49/02/79/829490279.db2.gz WLRPGRNESOUZEU-RYUDHWBXSA-N 1 2 320.397 -0.472 20 30 DBEDLO Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001121718600 829505746 /nfs/dbraw/zinc/50/57/46/829505746.db2.gz OPNCOHKGQLOMNN-LBPRGKRZSA-N 1 2 315.337 -0.558 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)Nc1ncccc1C#N ZINC001121799122 829513062 /nfs/dbraw/zinc/51/30/62/829513062.db2.gz CDTMXBFAPCGDOJ-LBPRGKRZSA-N 1 2 314.349 -0.182 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@H](CO)Nc1ccc(C#N)cn1 ZINC001121799296 829513108 /nfs/dbraw/zinc/51/31/08/829513108.db2.gz DJZVKYHDVKIWJT-GFCCVEGCSA-N 1 2 314.349 -0.182 20 30 DBEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](CO)Nc1cnc(C#N)cn1 ZINC001121854500 829520592 /nfs/dbraw/zinc/52/05/92/829520592.db2.gz NONDPBHXMGXXNK-LLVKDONJSA-N 1 2 315.337 -0.489 20 30 DBEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](CO)Nc1cnc(C#N)cn1 ZINC001121854501 829520790 /nfs/dbraw/zinc/52/07/90/829520790.db2.gz NONDPBHXMGXXNK-NSHDSACASA-N 1 2 315.337 -0.489 20 30 DBEDLO N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001121976743 829533971 /nfs/dbraw/zinc/53/39/71/829533971.db2.gz HCHXODYXMLFUQT-JTQLQIEISA-N 1 2 301.310 -0.797 20 30 DBEDLO N#Cc1nccnc1N[C@H](CO)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001121977356 829535514 /nfs/dbraw/zinc/53/55/14/829535514.db2.gz OTAJNLHUVCYBOQ-VIFPVBQESA-N 1 2 301.310 -0.797 20 30 DBEDLO C[C@@H](OCC1CC1)C(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276352016 833420882 /nfs/dbraw/zinc/42/08/82/833420882.db2.gz WKWVAPNECLDYIK-NWDGAFQWSA-N 1 2 322.409 -0.122 20 30 DBEDLO C[C@@H](NC(=O)Cc1cccnc1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276369149 833421335 /nfs/dbraw/zinc/42/13/35/833421335.db2.gz NTFWHMCYOPYZGR-GFCCVEGCSA-N 1 2 315.377 -0.300 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCCO2)C1 ZINC001276369242 833422380 /nfs/dbraw/zinc/42/23/80/833422380.db2.gz ONDKWFCWMRGERF-TZMCWYRMSA-N 1 2 307.394 -0.259 20 30 DBEDLO N#Cc1nccnc1N[C@H](CO)CNC(=O)CCn1cc[nH+]c1 ZINC001122379039 829577781 /nfs/dbraw/zinc/57/77/81/829577781.db2.gz OSIVFLFCDJYRPL-NSHDSACASA-N 1 2 315.337 -0.476 20 30 DBEDLO COC[C@@H](C)CC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276447044 833428783 /nfs/dbraw/zinc/42/87/83/833428783.db2.gz CSNFQIJNQOIFDJ-RYUDHWBXSA-N 1 2 310.398 -0.265 20 30 DBEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cn2cncn2)C1 ZINC001276460751 833430334 /nfs/dbraw/zinc/43/03/34/833430334.db2.gz QBLZYBBJXNAVNT-LLVKDONJSA-N 1 2 306.370 -0.983 20 30 DBEDLO C#CC[NH+]1CCN(c2nnc(-c3[nH]cnc3[N+](=O)[O-])n2C)CC1 ZINC001122907254 829628445 /nfs/dbraw/zinc/62/84/45/829628445.db2.gz HVNUQSSWYSWGLB-UHFFFAOYSA-N 1 2 316.325 -0.131 20 30 DBEDLO COCCc1noc(C[NH2+]CCNC(=O)CSCC#N)n1 ZINC001123787355 829677620 /nfs/dbraw/zinc/67/76/20/829677620.db2.gz MUTBZSIVQGUPDR-UHFFFAOYSA-N 1 2 313.383 -0.279 20 30 DBEDLO N#CCSCC(=O)NCC[NH2+]Cc1cc(=O)n2[nH]ccc2n1 ZINC001123792154 829678909 /nfs/dbraw/zinc/67/89/09/829678909.db2.gz KPFUPDMEDFEGRP-UHFFFAOYSA-N 1 2 320.378 -0.515 20 30 DBEDLO N#CCSCC(=O)N1CC[C@@H]2OCC[N@@H+](CCCO)[C@@H]2C1 ZINC001176929323 833437556 /nfs/dbraw/zinc/43/75/56/833437556.db2.gz GHHOOUQBRCSUHC-OLZOCXBDSA-N 1 2 313.423 -0.073 20 30 DBEDLO N#CCSCC(=O)N1CC[C@@H]2OCC[N@H+](CCCO)[C@@H]2C1 ZINC001176929323 833437558 /nfs/dbraw/zinc/43/75/58/833437558.db2.gz GHHOOUQBRCSUHC-OLZOCXBDSA-N 1 2 313.423 -0.073 20 30 DBEDLO C=CCOCC[N@H+]1CCO[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001176949557 833439718 /nfs/dbraw/zinc/43/97/18/833439718.db2.gz PKMHZBLIEKUPBX-STQMWFEESA-N 1 2 311.382 -0.634 20 30 DBEDLO C=CCOCC[N@@H+]1CCO[C@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001176949557 833439722 /nfs/dbraw/zinc/43/97/22/833439722.db2.gz PKMHZBLIEKUPBX-STQMWFEESA-N 1 2 311.382 -0.634 20 30 DBEDLO C#CCOCCC(=O)N[C@H]1C[N@@H+](CC(=O)NCC#N)CC1(C)C ZINC001276586112 833440996 /nfs/dbraw/zinc/44/09/96/833440996.db2.gz CDQXVJWSFRYNMR-ZDUSSCGKSA-N 1 2 320.393 -0.507 20 30 DBEDLO C#CCOCCC(=O)N[C@H]1C[N@H+](CC(=O)NCC#N)CC1(C)C ZINC001276586112 833441000 /nfs/dbraw/zinc/44/10/00/833441000.db2.gz CDQXVJWSFRYNMR-ZDUSSCGKSA-N 1 2 320.393 -0.507 20 30 DBEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)CC)C[C@@H]21 ZINC001176961945 833441640 /nfs/dbraw/zinc/44/16/40/833441640.db2.gz CVKHFZZXGGWJBJ-UONOGXRCSA-N 1 2 307.394 -0.162 20 30 DBEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)CC)C[C@@H]21 ZINC001176961945 833441645 /nfs/dbraw/zinc/44/16/45/833441645.db2.gz CVKHFZZXGGWJBJ-UONOGXRCSA-N 1 2 307.394 -0.162 20 30 DBEDLO Cc1nc(N(C)C)nc(NC[C@@H](O)CN(C)C(=O)[C@H](C)C#N)[nH+]1 ZINC001124190226 829719531 /nfs/dbraw/zinc/71/95/31/829719531.db2.gz FEKDJGVGGSLKMM-MWLCHTKSSA-N 1 2 321.385 -0.363 20 30 DBEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CCNC(=O)NC)C[C@H]21 ZINC001176998423 833446176 /nfs/dbraw/zinc/44/61/76/833446176.db2.gz AKINHRKKDIUYES-KGLIPLIRSA-N 1 2 322.409 -0.370 20 30 DBEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CCNC(=O)NC)C[C@H]21 ZINC001176998423 833446182 /nfs/dbraw/zinc/44/61/82/833446182.db2.gz AKINHRKKDIUYES-KGLIPLIRSA-N 1 2 322.409 -0.370 20 30 DBEDLO CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)Cn1cc[nH+]c1 ZINC001124398992 829747568 /nfs/dbraw/zinc/74/75/68/829747568.db2.gz IKCOJDJFXAGKGE-LBPRGKRZSA-N 1 2 315.337 -0.524 20 30 DBEDLO CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)Cn1cc[nH+]c1 ZINC001124399203 829747694 /nfs/dbraw/zinc/74/76/94/829747694.db2.gz LSIZCHJBOGCDER-GFCCVEGCSA-N 1 2 315.337 -0.524 20 30 DBEDLO CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)Cn1cc[nH+]c1 ZINC001124398991 829748072 /nfs/dbraw/zinc/74/80/72/829748072.db2.gz IKCOJDJFXAGKGE-GFCCVEGCSA-N 1 2 315.337 -0.524 20 30 DBEDLO CN(C[C@H](O)CNc1cncc(C#N)n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001124485227 829756213 /nfs/dbraw/zinc/75/62/13/829756213.db2.gz ZDECUTKVAAPQON-LLVKDONJSA-N 1 2 315.337 -0.455 20 30 DBEDLO C[C@@H](C#N)C(=O)NCC[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001124897142 829801231 /nfs/dbraw/zinc/80/12/31/829801231.db2.gz RYDDMZIVJIPIBK-VIFPVBQESA-N 1 2 301.310 -0.108 20 30 DBEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nnc(C(C)C)o1 ZINC001125978589 829891051 /nfs/dbraw/zinc/89/10/51/829891051.db2.gz UODWRNAOPMHPNE-UHFFFAOYSA-N 1 2 307.354 -0.462 20 30 DBEDLO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)c1nnc(CC)o1 ZINC001125997945 829893358 /nfs/dbraw/zinc/89/33/58/829893358.db2.gz ICPSYMLFVFSROU-JTQLQIEISA-N 1 2 307.354 -0.462 20 30 DBEDLO C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001127327789 830003982 /nfs/dbraw/zinc/00/39/82/830003982.db2.gz WZUBGKXNWUCTJK-NSHDSACASA-N 1 2 305.382 -0.162 20 30 DBEDLO CC#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)COC)CC2 ZINC001127904612 830038743 /nfs/dbraw/zinc/03/87/43/830038743.db2.gz RDBOPAPIRUNEQU-LBPRGKRZSA-N 1 2 305.382 -0.142 20 30 DBEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H](C)OC)CC2 ZINC001127944403 830041742 /nfs/dbraw/zinc/04/17/42/830041742.db2.gz RWPYYLYDFLQRJM-NEPJUHHUSA-N 1 2 305.382 -0.143 20 30 DBEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H](C)OC)CC2 ZINC001127944406 830042190 /nfs/dbraw/zinc/04/21/90/830042190.db2.gz RWPYYLYDFLQRJM-VXGBXAGGSA-N 1 2 305.382 -0.143 20 30 DBEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)c1ncc[nH]1)CC2 ZINC001127983834 830048606 /nfs/dbraw/zinc/04/86/06/830048606.db2.gz CBEQRQQYPSSNTG-NSHDSACASA-N 1 2 313.365 -0.141 20 30 DBEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)Cn3ncnn3)c2C1 ZINC001128355908 830081150 /nfs/dbraw/zinc/08/11/50/830081150.db2.gz JYQJUCGJMCLVLN-UHFFFAOYSA-N 1 2 316.369 -0.422 20 30 DBEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)Cn3ncnn3)c2C1 ZINC001128355908 830081158 /nfs/dbraw/zinc/08/11/58/830081158.db2.gz JYQJUCGJMCLVLN-UHFFFAOYSA-N 1 2 316.369 -0.422 20 30 DBEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001128612412 830105743 /nfs/dbraw/zinc/10/57/43/830105743.db2.gz HHJVJOLXCMMIBC-KGLIPLIRSA-N 1 2 303.366 -0.321 20 30 DBEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001128612412 830105745 /nfs/dbraw/zinc/10/57/45/830105745.db2.gz HHJVJOLXCMMIBC-KGLIPLIRSA-N 1 2 303.366 -0.321 20 30 DBEDLO COCC#CC[N@@H+]1C[C@@H](NC(=O)CSC)[C@@H](n2ccnn2)C1 ZINC001128694795 830123545 /nfs/dbraw/zinc/12/35/45/830123545.db2.gz PHIMVPQPELBXQE-OLZOCXBDSA-N 1 2 323.422 -0.368 20 30 DBEDLO COCC#CC[N@H+]1C[C@@H](NC(=O)CSC)[C@@H](n2ccnn2)C1 ZINC001128694795 830123548 /nfs/dbraw/zinc/12/35/48/830123548.db2.gz PHIMVPQPELBXQE-OLZOCXBDSA-N 1 2 323.422 -0.368 20 30 DBEDLO N#CCN1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)[C@@H](n2ccnn2)C1 ZINC001129049521 830151434 /nfs/dbraw/zinc/15/14/34/830151434.db2.gz ZTYNDUOSJXUUAJ-OLZOCXBDSA-N 1 2 314.353 -0.501 20 30 DBEDLO N#CCN1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H](n2ccnn2)C1 ZINC001129049521 830151438 /nfs/dbraw/zinc/15/14/38/830151438.db2.gz ZTYNDUOSJXUUAJ-OLZOCXBDSA-N 1 2 314.353 -0.501 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)CCc2ccon2)[C@@H](n2ccnn2)C1 ZINC001129114106 830154352 /nfs/dbraw/zinc/15/43/52/830154352.db2.gz YWVNQZRQQZQSIZ-KGLIPLIRSA-N 1 2 314.349 -0.126 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCc2ccon2)[C@@H](n2ccnn2)C1 ZINC001129114106 830154354 /nfs/dbraw/zinc/15/43/54/830154354.db2.gz YWVNQZRQQZQSIZ-KGLIPLIRSA-N 1 2 314.349 -0.126 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/nfs/dbraw/zinc/88/39/25/1019883925.db2.gz GXRWBZLKQGGHNS-NSHDSACASA-N 1 2 301.350 -0.724 20 30 DBEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)Cc2c[nH]cn2)C1 ZINC001506660293 1019884856 /nfs/dbraw/zinc/88/48/56/1019884856.db2.gz QTTZUXMVDMUKMF-NSHDSACASA-N 1 2 305.382 -0.309 20 30 DBEDLO Cc1nccc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NCC#N)C2)n1 ZINC001506673708 1019887542 /nfs/dbraw/zinc/88/75/42/1019887542.db2.gz ALJWCCNDAHKISP-JTQLQIEISA-N 1 2 316.365 -0.525 20 30 DBEDLO CC1(C)C[N@H+](CC(=O)NCC#N)C[C@@H]1NC(=O)C[C@@H]1CCOC1 ZINC001506735678 1019894261 /nfs/dbraw/zinc/89/42/61/1019894261.db2.gz MKISABBKXWWTNO-STQMWFEESA-N 1 2 322.409 -0.121 20 30 DBEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)C[C@@H]1NC(=O)C[C@@H]1CCOC1 ZINC001506735678 1019894264 /nfs/dbraw/zinc/89/42/64/1019894264.db2.gz MKISABBKXWWTNO-STQMWFEESA-N 1 2 322.409 -0.121 20 30 DBEDLO C=CCC1(C(=O)NC[C@@H](CO)[NH2+]Cc2nnnn2C)CCCC1 ZINC001507276361 1020269315 /nfs/dbraw/zinc/26/93/15/1020269315.db2.gz URECWRLSTVTOLI-LBPRGKRZSA-N 1 2 322.413 -0.087 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322.409 -0.220 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccco2)[C@@H](O)C1 ZINC001100042178 826791630 /nfs/dbraw/zinc/79/16/30/826791630.db2.gz VMBXLHOKBYOSSV-KGLIPLIRSA-N 1 2 319.361 -0.877 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cc2ccco2)[C@@H](O)C1 ZINC001100042178 826791636 /nfs/dbraw/zinc/79/16/36/826791636.db2.gz VMBXLHOKBYOSSV-KGLIPLIRSA-N 1 2 319.361 -0.877 20 30 DBEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100045839 826794404 /nfs/dbraw/zinc/79/44/04/826794404.db2.gz FCWQYVYIIIYNBW-QWRGUYRKSA-N 1 2 314.777 -0.633 20 30 DBEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCn2cnnn2)[C@@H](O)C1 ZINC001100045839 826794411 /nfs/dbraw/zinc/79/44/11/826794411.db2.gz FCWQYVYIIIYNBW-QWRGUYRKSA-N 1 2 314.777 -0.633 20 30 DBEDLO C=CCOC[C@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC(F)F ZINC001274609754 833109536 /nfs/dbraw/zinc/10/95/36/833109536.db2.gz SZXZCQSSADGQPB-LLVKDONJSA-N 1 2 320.336 -0.272 20 30 DBEDLO C=CC[N@H+]1CC[C@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](O)C1 ZINC001100114734 826866741 /nfs/dbraw/zinc/86/67/41/826866741.db2.gz SMBNGYAMUBSIBT-NWDGAFQWSA-N 1 2 304.412 -0.453 20 30 DBEDLO C=CC[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)C(C)C)[C@H](O)C1 ZINC001100114734 826866748 /nfs/dbraw/zinc/86/67/48/826866748.db2.gz SMBNGYAMUBSIBT-NWDGAFQWSA-N 1 2 304.412 -0.453 20 30 DBEDLO C=CC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)CCC)[C@@H](O)C1 ZINC001100117167 826870516 /nfs/dbraw/zinc/87/05/16/826870516.db2.gz DAGGXPBFBBAHDR-NEPJUHHUSA-N 1 2 304.412 -0.451 20 30 DBEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)CCC)[C@@H](O)C1 ZINC001100117167 826870526 /nfs/dbraw/zinc/87/05/26/826870526.db2.gz DAGGXPBFBBAHDR-NEPJUHHUSA-N 1 2 304.412 -0.451 20 30 DBEDLO C#CCC1(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CCCCC1 ZINC001100136436 826889992 /nfs/dbraw/zinc/88/99/92/826889992.db2.gz MPTOJYVUBQUSJP-KGLIPLIRSA-N 1 2 321.421 -0.003 20 30 DBEDLO C#CCC1(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CCCCC1 ZINC001100136436 826890005 /nfs/dbraw/zinc/89/00/05/826890005.db2.gz MPTOJYVUBQUSJP-KGLIPLIRSA-N 1 2 321.421 -0.003 20 30 DBEDLO N#CCN1CCC(CO)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001274916230 833139334 /nfs/dbraw/zinc/13/93/34/833139334.db2.gz CPFKUCLHKCLQMV-ZDUSSCGKSA-N 1 2 317.393 -0.088 20 30 DBEDLO CC[C@@H](F)C(=O)NC1(CO)CC[NH+](CC(=O)NCC#N)CC1 ZINC001274924878 833140225 /nfs/dbraw/zinc/14/02/25/833140225.db2.gz YNQPSVXGWOTIEY-LLVKDONJSA-N 1 2 314.361 -0.683 20 30 DBEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001101958524 827170793 /nfs/dbraw/zinc/17/07/93/827170793.db2.gz IVQSZESJKFNPAH-JHJVBQTASA-N 1 2 320.397 -0.568 20 30 DBEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001101958524 827170794 /nfs/dbraw/zinc/17/07/94/827170794.db2.gz IVQSZESJKFNPAH-JHJVBQTASA-N 1 2 320.397 -0.568 20 30 DBEDLO CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001275513436 833187269 /nfs/dbraw/zinc/18/72/69/833187269.db2.gz FHXUTXLUAMLLGZ-QWRGUYRKSA-N 1 2 316.365 -0.423 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3=COCCO3)C2)nn1 ZINC001105145451 827389361 /nfs/dbraw/zinc/38/93/61/827389361.db2.gz XLAWGWRWGDJXSW-UHFFFAOYSA-N 1 2 317.349 -0.338 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3C(=O)OC)C2)nn1 ZINC001105187571 827400266 /nfs/dbraw/zinc/40/02/66/827400266.db2.gz AVLJGTFDEAJDNA-CHWSQXEVSA-N 1 2 317.349 -0.807 20 30 DBEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105185905 827400284 /nfs/dbraw/zinc/40/02/84/827400284.db2.gz WVIRDTCJYOLDHO-JTQLQIEISA-N 1 2 306.370 -0.409 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)n3cncn3)C2)nn1 ZINC001105215917 827407579 /nfs/dbraw/zinc/40/75/79/827407579.db2.gz KVKHALFARHEPEI-LLVKDONJSA-N 1 2 314.353 -0.763 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CC3OCCCO3)C2)nn1 ZINC001105221172 827408213 /nfs/dbraw/zinc/40/82/13/827408213.db2.gz BDXONPRPBODTCF-UHFFFAOYSA-N 1 2 319.365 -0.463 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnn3CC)C2)nn1 ZINC001105219704 827408279 /nfs/dbraw/zinc/40/82/79/827408279.db2.gz MIXGXKMZQBOOFJ-UHFFFAOYSA-N 1 2 313.365 -0.086 20 30 DBEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105240442 827412934 /nfs/dbraw/zinc/41/29/34/827412934.db2.gz NKOLPDVARCRSBW-LLVKDONJSA-N 1 2 309.345 -0.241 20 30 DBEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001105240378 827413140 /nfs/dbraw/zinc/41/31/40/827413140.db2.gz KUADXVWLFSMHGL-UHFFFAOYSA-N 1 2 315.377 -0.186 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]34C[C@H]3COC4)C2)nn1 ZINC001105243900 827414505 /nfs/dbraw/zinc/41/45/05/827414505.db2.gz LDLRWNCNAQFAKO-NHYWBVRUSA-N 1 2 301.350 -0.579 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccnnc3C)C2)nn1 ZINC001105276618 827418152 /nfs/dbraw/zinc/41/81/52/827418152.db2.gz MOPXNHYJWAXDIA-UHFFFAOYSA-N 1 2 311.349 -0.204 20 30 DBEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105297348 827421443 /nfs/dbraw/zinc/42/14/43/827421443.db2.gz LSRBFXQTGGIUGW-SNVBAGLBSA-N 1 2 320.397 -0.163 20 30 DBEDLO C=C[C@H](C)[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105305942 827422949 /nfs/dbraw/zinc/42/29/49/827422949.db2.gz UTTCOHVDQISLDF-WDEREUQCSA-N 1 2 320.397 -0.306 20 30 DBEDLO C=C[C@H](CC)CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105310155 827424457 /nfs/dbraw/zinc/42/44/57/827424457.db2.gz QWCXYVSAUIFLQK-LLVKDONJSA-N 1 2 320.397 -0.161 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3oncc3C)C2)nn1 ZINC001105356417 827437238 /nfs/dbraw/zinc/43/72/38/827437238.db2.gz PVWGTZQVUNVBSL-UHFFFAOYSA-N 1 2 300.322 -0.006 20 30 DBEDLO N#CCNCc1cn(C2CN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001105382661 827444717 /nfs/dbraw/zinc/44/47/17/827444717.db2.gz LSPWHLLTOZMECW-UHFFFAOYSA-N 1 2 300.326 -0.829 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3nonc3C)C2)nn1 ZINC001105382426 827444734 /nfs/dbraw/zinc/44/47/34/827444734.db2.gz IEPPTWMTHFWULB-UHFFFAOYSA-N 1 2 315.337 -0.220 20 30 DBEDLO N#CCSCC(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105691477 827462217 /nfs/dbraw/zinc/46/22/17/827462217.db2.gz QESSEDSIWZPVGG-UHFFFAOYSA-N 1 2 313.423 -0.073 20 30 DBEDLO Cn1ncc2c1nc[nH+]c2NC[C@@H](O)CNC(=O)C#CC1CC1 ZINC001105825713 827525312 /nfs/dbraw/zinc/52/53/12/827525312.db2.gz NVKLFLUNBMLLGB-NSHDSACASA-N 1 2 314.349 -0.334 20 30 DBEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001105920832 827555730 /nfs/dbraw/zinc/55/57/30/827555730.db2.gz PMNIABUCXDGSPA-NSHDSACASA-N 1 2 315.337 -0.489 20 30 DBEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001105920831 827556041 /nfs/dbraw/zinc/55/60/41/827556041.db2.gz PMNIABUCXDGSPA-LLVKDONJSA-N 1 2 315.337 -0.489 20 30 DBEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)nn1 ZINC001105937188 827562497 /nfs/dbraw/zinc/56/24/97/827562497.db2.gz GACWDXTZHACTNP-SNVBAGLBSA-N 1 2 301.310 -0.797 20 30 DBEDLO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001105937091 827563064 /nfs/dbraw/zinc/56/30/64/827563064.db2.gz DBQUPZNJYBCOJV-LLVKDONJSA-N 1 2 315.337 -0.489 20 30 DBEDLO N#Cc1cncc(NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001105936981 827563113 /nfs/dbraw/zinc/56/31/13/827563113.db2.gz AAELOXWZIBIERF-JTQLQIEISA-N 1 2 301.310 -0.797 20 30 DBEDLO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001275874950 833216641 /nfs/dbraw/zinc/21/66/41/833216641.db2.gz VDEKYWNODIKRKQ-QWHCGFSZSA-N 1 2 316.423 -0.493 20 30 DBEDLO COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001275874950 833216648 /nfs/dbraw/zinc/21/66/48/833216648.db2.gz VDEKYWNODIKRKQ-QWHCGFSZSA-N 1 2 316.423 -0.493 20 30 DBEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001106129158 827625852 /nfs/dbraw/zinc/62/58/52/827625852.db2.gz CUPAVBFEYNORAZ-NSHDSACASA-N 1 2 301.310 -0.797 20 30 DBEDLO N#Cc1nccnc1NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001106130905 827626967 /nfs/dbraw/zinc/62/69/67/827626967.db2.gz ZVFSWEUGLVVMPP-SNVBAGLBSA-N 1 2 301.310 -0.797 20 30 DBEDLO N#Cc1nccnc1NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001106130904 827626823 /nfs/dbraw/zinc/62/68/23/827626823.db2.gz ZVFSWEUGLVVMPP-JTQLQIEISA-N 1 2 301.310 -0.797 20 30 DBEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)CCc2c[nH]c[nH+]2)cn1 ZINC001106149715 827632523 /nfs/dbraw/zinc/63/25/23/827632523.db2.gz DWJIJDQOAVMORU-LBPRGKRZSA-N 1 2 315.337 -0.407 20 30 DBEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)CCc2c[nH+]c[nH]2)cn1 ZINC001106149715 827632525 /nfs/dbraw/zinc/63/25/25/827632525.db2.gz DWJIJDQOAVMORU-LBPRGKRZSA-N 1 2 315.337 -0.407 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)NC(C)=O)nn2)C1 ZINC001107119998 827704538 /nfs/dbraw/zinc/70/45/38/827704538.db2.gz QZJZIBDUTPTBBE-LLVKDONJSA-N 1 2 320.397 -0.148 20 30 DBEDLO C=CCCC(=O)NCc1cn(C2C[NH+](CCOCCO)C2)nn1 ZINC001107142616 827711142 /nfs/dbraw/zinc/71/11/42/827711142.db2.gz MEWHBZOQXJSXNY-UHFFFAOYSA-N 1 2 323.397 -0.274 20 30 DBEDLO CCOCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)C#N)nn2)C1 ZINC001107149682 827712982 /nfs/dbraw/zinc/71/29/82/827712982.db2.gz NQIKBCVJQIAZLU-LLVKDONJSA-N 1 2 306.370 -0.053 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)n3cncn3)nn2)C1 ZINC001107159904 827715444 /nfs/dbraw/zinc/71/54/44/827715444.db2.gz YQMZMRJRMXDZIG-NSHDSACASA-N 1 2 316.369 -0.210 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3ccn(C)n3)nn2)C1 ZINC001107168639 827718769 /nfs/dbraw/zinc/71/87/69/827718769.db2.gz XYYJFNGKDQFEKP-UHFFFAOYSA-N 1 2 315.381 -0.087 20 30 DBEDLO C#CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](CC=C)C2)nn1 ZINC001107169531 827719072 /nfs/dbraw/zinc/71/90/72/827719072.db2.gz MZYLVYUTEHJWDV-GFCCVEGCSA-N 1 2 303.366 -0.025 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)NC(=O)CC)nn2)C1 ZINC001107173376 827719745 /nfs/dbraw/zinc/71/97/45/827719745.db2.gz ABDMZRADQPAPEL-NSHDSACASA-N 1 2 320.397 -0.148 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cn3nccn3)nn2)C1 ZINC001107175291 827720942 /nfs/dbraw/zinc/72/09/42/827720942.db2.gz HVFWXIDXBDRPBX-UHFFFAOYSA-N 1 2 314.353 -0.934 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCNC3=O)nn2)C1 ZINC001107178333 827721790 /nfs/dbraw/zinc/72/17/90/827721790.db2.gz SQPVKVZOEWVENV-LLVKDONJSA-N 1 2 318.381 -0.537 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](COC)OC)nn2)C1 ZINC001107207730 827726780 /nfs/dbraw/zinc/72/67/80/827726780.db2.gz DAFVNIRGSIUTPQ-AWEZNQCLSA-N 1 2 321.381 -0.564 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](COC)OC)nn2)C1 ZINC001107208087 827728593 /nfs/dbraw/zinc/72/85/93/827728593.db2.gz PPUARCCPEFDTKL-AWEZNQCLSA-N 1 2 323.397 -0.012 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3c[nH]cn3)nn2)C1 ZINC001107214592 827729712 /nfs/dbraw/zinc/72/97/12/827729712.db2.gz YQSKHLAONIWWHH-UHFFFAOYSA-N 1 2 313.365 -0.260 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cn3cncn3)nn2)C1 ZINC001107235071 827734295 /nfs/dbraw/zinc/73/42/95/827734295.db2.gz ZUILYSAGTKFXBA-UHFFFAOYSA-N 1 2 314.353 -0.934 20 30 DBEDLO CC#CCN1CC(n2cc(CNC(=O)Cn3cc[nH+]c3)nn2)C1 ZINC001107240750 827734832 /nfs/dbraw/zinc/73/48/32/827734832.db2.gz HGXSNIQGEZBCEO-UHFFFAOYSA-N 1 2 313.365 -0.329 20 30 DBEDLO C=CCCOCC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107241507 827735492 /nfs/dbraw/zinc/73/54/92/827735492.db2.gz XJDMYRLNPXDPOH-UHFFFAOYSA-N 1 2 309.370 -0.664 20 30 DBEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@H]2CCCC(=O)N2C)C1 ZINC001276100649 833244646 /nfs/dbraw/zinc/24/46/46/833244646.db2.gz DXGGQGWTBXYHIP-CYBMUJFWSA-N 1 2 307.394 -0.426 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@]1(C)C[N@H+](CCN2CCCC2=O)CCO1 ZINC001107821044 827804500 /nfs/dbraw/zinc/80/45/00/827804500.db2.gz IBUYVGJCVHWSBD-XJKSGUPXSA-N 1 2 322.409 -0.024 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@]1(C)C[N@@H+](CCN2CCCC2=O)CCO1 ZINC001107821044 827804508 /nfs/dbraw/zinc/80/45/08/827804508.db2.gz IBUYVGJCVHWSBD-XJKSGUPXSA-N 1 2 322.409 -0.024 20 30 DBEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)C[N@H+](CCN2CCCC2=O)CCO1 ZINC001107821042 827804857 /nfs/dbraw/zinc/80/48/57/827804857.db2.gz IBUYVGJCVHWSBD-CJNGLKHVSA-N 1 2 322.409 -0.024 20 30 DBEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)C[N@@H+](CCN2CCCC2=O)CCO1 ZINC001107821042 827804865 /nfs/dbraw/zinc/80/48/65/827804865.db2.gz IBUYVGJCVHWSBD-CJNGLKHVSA-N 1 2 322.409 -0.024 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2COCCN2C)C1 ZINC001107882743 827821946 /nfs/dbraw/zinc/82/19/46/827821946.db2.gz BLDGKKIPJSCPLS-GDBMZVCRSA-N 1 2 309.410 -0.453 20 30 DBEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2COCCN2C)C1 ZINC001107882743 827821954 /nfs/dbraw/zinc/82/19/54/827821954.db2.gz BLDGKKIPJSCPLS-GDBMZVCRSA-N 1 2 309.410 -0.453 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001107898291 827829958 /nfs/dbraw/zinc/82/99/58/827829958.db2.gz AOLJKBSTKUNIJL-HNNXBMFYSA-N 1 2 307.350 -0.178 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(=O)n(C)o2)C1 ZINC001107898291 827829960 /nfs/dbraw/zinc/82/99/60/827829960.db2.gz AOLJKBSTKUNIJL-HNNXBMFYSA-N 1 2 307.350 -0.178 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)NC(=O)COC)C1 ZINC001107965197 827850800 /nfs/dbraw/zinc/85/08/00/827850800.db2.gz SDYRRYMHTWIZAV-DOMZBBRYSA-N 1 2 313.398 -0.469 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H](C)NC(=O)COC)C1 ZINC001107965197 827850807 /nfs/dbraw/zinc/85/08/07/827850807.db2.gz SDYRRYMHTWIZAV-DOMZBBRYSA-N 1 2 313.398 -0.469 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CNS(=O)(=O)CC)C1 ZINC001107979368 827856267 /nfs/dbraw/zinc/85/62/67/827856267.db2.gz FMBXLDCBMDOJIV-ZDUSSCGKSA-N 1 2 319.427 -0.681 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CNS(=O)(=O)CC)C1 ZINC001107979368 827856272 /nfs/dbraw/zinc/85/62/72/827856272.db2.gz FMBXLDCBMDOJIV-ZDUSSCGKSA-N 1 2 319.427 -0.681 20 30 DBEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001107982507 827859016 /nfs/dbraw/zinc/85/90/16/827859016.db2.gz BEYYMMQOFLPKIH-MLGOLLRUSA-N 1 2 323.393 -0.083 20 30 DBEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)N2C(=O)CCC2=O)C1 ZINC001107982507 827859019 /nfs/dbraw/zinc/85/90/19/827859019.db2.gz BEYYMMQOFLPKIH-MLGOLLRUSA-N 1 2 323.393 -0.083 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001108012940 827867692 /nfs/dbraw/zinc/86/76/92/827867692.db2.gz ILVSHLZBLXINAM-CZUORRHYSA-N 1 2 307.394 -0.115 20 30 DBEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCCC(=O)N2)C1 ZINC001108012940 827867695 /nfs/dbraw/zinc/86/76/95/827867695.db2.gz ILVSHLZBLXINAM-CZUORRHYSA-N 1 2 307.394 -0.115 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001108010644 827869099 /nfs/dbraw/zinc/86/90/99/827869099.db2.gz YNFMDFLCBJSWGD-BBRMVZONSA-N 1 2 307.394 -0.257 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CCCNC2=O)C1 ZINC001108010644 827869103 /nfs/dbraw/zinc/86/91/03/827869103.db2.gz YNFMDFLCBJSWGD-BBRMVZONSA-N 1 2 307.394 -0.257 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001108136925 827903820 /nfs/dbraw/zinc/90/38/20/827903820.db2.gz VUSWMDKHQKVCBY-BBRMVZONSA-N 1 2 307.394 -0.162 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001108136925 827903823 /nfs/dbraw/zinc/90/38/23/827903823.db2.gz VUSWMDKHQKVCBY-BBRMVZONSA-N 1 2 307.394 -0.162 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001108145558 827905054 /nfs/dbraw/zinc/90/50/54/827905054.db2.gz MBHNQZMXRSKSOD-XJKSGUPXSA-N 1 2 307.394 -0.305 20 30 DBEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCN(C)C2=O)C1 ZINC001108145558 827905060 /nfs/dbraw/zinc/90/50/60/827905060.db2.gz MBHNQZMXRSKSOD-XJKSGUPXSA-N 1 2 307.394 -0.305 20 30 DBEDLO C[C@]1(CNC(=O)C(N)=O)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108177413 827913257 /nfs/dbraw/zinc/91/32/57/827913257.db2.gz WSTMAHDQUWYGCT-INIZCTEOSA-N 1 2 316.361 -0.249 20 30 DBEDLO C[C@]1(CNC(=O)C(N)=O)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108177413 827913258 /nfs/dbraw/zinc/91/32/58/827913258.db2.gz WSTMAHDQUWYGCT-INIZCTEOSA-N 1 2 316.361 -0.249 20 30 DBEDLO C[C@@]1(CNC(=O)C(N)=O)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108177414 827913286 /nfs/dbraw/zinc/91/32/86/827913286.db2.gz WSTMAHDQUWYGCT-MRXNPFEDSA-N 1 2 316.361 -0.249 20 30 DBEDLO C[C@@]1(CNC(=O)C(N)=O)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC001108177414 827913288 /nfs/dbraw/zinc/91/32/88/827913288.db2.gz WSTMAHDQUWYGCT-MRXNPFEDSA-N 1 2 316.361 -0.249 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2cnn(C)n2)C1 ZINC001108220384 827923223 /nfs/dbraw/zinc/92/32/23/827923223.db2.gz VLLJLIKEGKIDNI-MRXNPFEDSA-N 1 2 319.409 -0.022 20 30 DBEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2cnn(C)n2)C1 ZINC001108220384 827923227 /nfs/dbraw/zinc/92/32/27/827923227.db2.gz VLLJLIKEGKIDNI-MRXNPFEDSA-N 1 2 319.409 -0.022 20 30 DBEDLO C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001108224505 827923273 /nfs/dbraw/zinc/92/32/73/827923273.db2.gz NCVBBJIEWCNQDJ-OAHLLOKOSA-N 1 2 305.382 -0.032 20 30 DBEDLO C#CCC[N@H+]1CCO[C@](C)(CNC(=O)CCc2cn[nH]n2)C1 ZINC001108224505 827923276 /nfs/dbraw/zinc/92/32/76/827923276.db2.gz NCVBBJIEWCNQDJ-OAHLLOKOSA-N 1 2 305.382 -0.032 20 30 DBEDLO C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001108224505 827923280 /nfs/dbraw/zinc/92/32/80/827923280.db2.gz NCVBBJIEWCNQDJ-OAHLLOKOSA-N 1 2 305.382 -0.032 20 30 DBEDLO C#CCC[N@H+]1CCO[C@](C)(CNC(=O)CCc2c[nH]nn2)C1 ZINC001108224505 827923287 /nfs/dbraw/zinc/92/32/87/827923287.db2.gz NCVBBJIEWCNQDJ-OAHLLOKOSA-N 1 2 305.382 -0.032 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001108241479 827925669 /nfs/dbraw/zinc/92/56/69/827925669.db2.gz BTBMQBNFSGQZMS-AAEUAGOBSA-N 1 2 319.427 -0.683 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001108241479 827925675 /nfs/dbraw/zinc/92/56/75/827925675.db2.gz BTBMQBNFSGQZMS-AAEUAGOBSA-N 1 2 319.427 -0.683 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001108278572 827934021 /nfs/dbraw/zinc/93/40/21/827934021.db2.gz QCYZJVHNXPXOBR-HNNXBMFYSA-N 1 2 309.366 -0.568 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001108278572 827934024 /nfs/dbraw/zinc/93/40/24/827934024.db2.gz QCYZJVHNXPXOBR-HNNXBMFYSA-N 1 2 309.366 -0.568 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2cnnn2)C1 ZINC001108303336 827941574 /nfs/dbraw/zinc/94/15/74/827941574.db2.gz VGVQWOLKNMEVRU-AWEZNQCLSA-N 1 2 306.370 -0.706 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCn2cnnn2)C1 ZINC001108303336 827941578 /nfs/dbraw/zinc/94/15/78/827941578.db2.gz VGVQWOLKNMEVRU-AWEZNQCLSA-N 1 2 306.370 -0.706 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001108443872 827977250 /nfs/dbraw/zinc/97/72/50/827977250.db2.gz UGHHWXSNBMRVGM-MRXNPFEDSA-N 1 2 319.409 -0.022 20 30 DBEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CCc2cn(C)nn2)C1 ZINC001108443872 827977253 /nfs/dbraw/zinc/97/72/53/827977253.db2.gz UGHHWXSNBMRVGM-MRXNPFEDSA-N 1 2 319.409 -0.022 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CNC(=O)C3CC3)CC2=O)C1 ZINC001108509321 827989830 /nfs/dbraw/zinc/98/98/30/827989830.db2.gz HCENAYYXPPXWIP-GFCCVEGCSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CNC(=O)CC)CC2=O)C1 ZINC001108524026 827995380 /nfs/dbraw/zinc/99/53/80/827995380.db2.gz XQORIOSTJBBELD-LBPRGKRZSA-N 1 2 322.409 -0.510 20 30 DBEDLO C=CCOCC(=O)N[C@H]1CC(=O)N(C2C[NH+](CCOC)C2)C1 ZINC001108523448 827995787 /nfs/dbraw/zinc/99/57/87/827995787.db2.gz JPVCGVVGYRGDKD-LBPRGKRZSA-N 1 2 311.382 -0.763 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@](C)(O)C=C)CC2=O)C1 ZINC001108538904 828001551 /nfs/dbraw/zinc/00/15/51/828001551.db2.gz QFPWKVCBRNUAQH-BLLLJJGKSA-N 1 2 307.394 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/nfs/dbraw/zinc/01/71/19/828017119.db2.gz KCNILQFGIKTSGB-DGCLKSJQSA-N 1 2 311.382 -0.765 20 30 DBEDLO C=C[C@@](C)(CC)C(=O)N[C@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108569052 828018228 /nfs/dbraw/zinc/01/82/28/828018228.db2.gz BGCAHFXYAFPCRT-LRDDRELGSA-N 1 2 309.410 -0.018 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](CC)NC(C)=O)CC2=O)C1 ZINC001108577758 828019959 /nfs/dbraw/zinc/01/99/59/828019959.db2.gz OVYKFNZDCWBBQN-GXTWGEPZSA-N 1 2 322.409 -0.512 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CCNC(N)=O)CC2=O)C1 ZINC001108591040 828027602 /nfs/dbraw/zinc/02/76/02/828027602.db2.gz RBOZBLGNJHDEET-NSHDSACASA-N 1 2 323.397 -0.978 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)CCCC(N)=O)CC2=O)C1 ZINC001108595147 828028417 /nfs/dbraw/zinc/02/84/17/828028417.db2.gz HIPBKSBNNUEQNS-GFCCVEGCSA-N 1 2 322.409 -0.381 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1cccn1)C2 ZINC001108924671 828067205 /nfs/dbraw/zinc/06/72/05/828067205.db2.gz RZERLHQHBJCDRM-RDBSUJKOSA-N 1 2 315.377 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C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)C(=O)NCC(F)F)C2)C1 ZINC001485556740 1013271768 /nfs/dbraw/zinc/27/17/68/1013271768.db2.gz PPHDKCQKOFAHBU-CQSZACIVSA-N 1 2 315.320 -0.696 20 30 DBEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)C(=O)NCC(F)F)C2)C1 ZINC001485556740 1013271773 /nfs/dbraw/zinc/27/17/73/1013271773.db2.gz PPHDKCQKOFAHBU-CQSZACIVSA-N 1 2 315.320 -0.696 20 30 DBEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 ZINC001485556187 1013273468 /nfs/dbraw/zinc/27/34/68/1013273468.db2.gz RFTLRDVWPPFECZ-GDBMZVCRSA-N 1 2 307.394 -0.162 20 30 DBEDLO C#CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC)NC(C)=O)C2)C1 ZINC001485556187 1013273483 /nfs/dbraw/zinc/27/34/83/1013273483.db2.gz RFTLRDVWPPFECZ-GDBMZVCRSA-N 1 2 307.394 -0.162 20 30 DBEDLO O=C(C#CC1CC1)NC[C@@H](CO)[NH2+]Cc1cn(CC2CC2)nn1 ZINC001485996871 1013532786 /nfs/dbraw/zinc/53/27/86/1013532786.db2.gz YQMHTHDANHAANU-HNNXBMFYSA-N 1 2 317.393 -0.332 20 30 DBEDLO C[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)CCC[N@@H+]1CC(=O)NCC#N ZINC001486163924 1013702055 /nfs/dbraw/zinc/70/20/55/1013702055.db2.gz OHHHOWYUGHJXGQ-PWSUYJOCSA-N 1 2 304.354 -0.368 20 30 DBEDLO C[C@@H]1[C@@H](NC(=O)c2cn[nH]c2)CCC[N@H+]1CC(=O)NCC#N ZINC001486163924 1013702064 /nfs/dbraw/zinc/70/20/64/1013702064.db2.gz OHHHOWYUGHJXGQ-PWSUYJOCSA-N 1 2 304.354 -0.368 20 30 DBEDLO CN(C)c1noc(C[NH2+]C[C@H](O)CN(C)C(=O)C#CC2CC2)n1 ZINC001486274421 1013767895 /nfs/dbraw/zinc/76/78/95/1013767895.db2.gz NSKSGSHGJLUWIY-LBPRGKRZSA-N 1 2 321.381 -0.542 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)c1n[nH]nc1C)C(C)C ZINC001486373673 1013831357 /nfs/dbraw/zinc/83/13/57/1013831357.db2.gz ZEAYMWSQMJSDDS-UHFFFAOYSA-N 1 2 320.397 -0.355 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)CCN(C(=O)c1n[nH]nc1C)C(C)C ZINC001486373673 1013831360 /nfs/dbraw/zinc/83/13/60/1013831360.db2.gz ZEAYMWSQMJSDDS-UHFFFAOYSA-N 1 2 320.397 -0.355 20 30 DBEDLO C#Cc1cncc(C(=O)NCC[N@@H+](CCOC)[C@@H](C)C(N)=O)c1 ZINC001486432600 1013841445 /nfs/dbraw/zinc/84/14/45/1013841445.db2.gz ZZNNAFSHOVZWOP-LBPRGKRZSA-N 1 2 318.377 -0.385 20 30 DBEDLO C#Cc1cncc(C(=O)NCC[N@H+](CCOC)[C@@H](C)C(N)=O)c1 ZINC001486432600 1013841447 /nfs/dbraw/zinc/84/14/47/1013841447.db2.gz ZZNNAFSHOVZWOP-LBPRGKRZSA-N 1 2 318.377 -0.385 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CC=C(CNC(=O)c2cnns2)CC1 ZINC001486503136 1013852792 /nfs/dbraw/zinc/85/27/92/1013852792.db2.gz UADMVZIAOZDCFU-UHFFFAOYSA-N 1 2 320.378 -0.460 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)c2cnns2)CC1 ZINC001486503136 1013852797 /nfs/dbraw/zinc/85/27/97/1013852797.db2.gz UADMVZIAOZDCFU-UHFFFAOYSA-N 1 2 320.378 -0.460 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CC=C(CNC(=O)c2n[nH]cc2F)CC1 ZINC001486514671 1013854773 /nfs/dbraw/zinc/85/47/73/1013854773.db2.gz CYODMOUKQQIDSV-UHFFFAOYSA-N 1 2 320.328 -0.450 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)c2n[nH]cc2F)CC1 ZINC001486514671 1013854777 /nfs/dbraw/zinc/85/47/77/1013854777.db2.gz CYODMOUKQQIDSV-UHFFFAOYSA-N 1 2 320.328 -0.450 20 30 DBEDLO C#CCCCC(=O)NC1(CCO)CN(C(=O)Cn2cc[nH+]c2)C1 ZINC001487029451 1013932044 /nfs/dbraw/zinc/93/20/44/1013932044.db2.gz BLWWLYDNBZHNDP-UHFFFAOYSA-N 1 2 318.377 -0.234 20 30 DBEDLO C[C@H](C#N)C(=O)N(C)CCOCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001487591090 1014008809 /nfs/dbraw/zinc/00/88/09/1014008809.db2.gz BAOLYCKYFLDRSH-LLVKDONJSA-N 1 2 307.354 -0.297 20 30 DBEDLO C[C@H](C#N)C(=O)NCCOCCN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001487589349 1014008875 /nfs/dbraw/zinc/00/88/75/1014008875.db2.gz OHTIHWSZUHQRHX-LLVKDONJSA-N 1 2 307.354 -0.297 20 30 DBEDLO C=C1CC(C)(C(=O)N[C@H](CO)CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001488048643 1014139821 /nfs/dbraw/zinc/13/98/21/1014139821.db2.gz IWQZMSKLAAFEAL-LBPRGKRZSA-N 1 2 320.393 -0.088 20 30 DBEDLO C#CCO[C@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001527158632 1014191053 /nfs/dbraw/zinc/19/10/53/1014191053.db2.gz HVSHLCOHIGLABH-ZIAGYGMSSA-N 1 2 318.377 -0.114 20 30 DBEDLO C#CCO[C@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001527158624 1014191295 /nfs/dbraw/zinc/19/12/95/1014191295.db2.gz HVSHLCOHIGLABH-KGLIPLIRSA-N 1 2 318.377 -0.114 20 30 DBEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)CC1 ZINC001051976628 977585533 /nfs/dbraw/zinc/58/55/33/977585533.db2.gz HCVZBNKQTNWFTL-INIZCTEOSA-N 1 2 314.389 -0.215 20 30 DBEDLO C[NH+](C)[C@]1(C(=O)NCC(=O)NCC#N)COc2ccccc2C1 ZINC001528418648 1014409251 /nfs/dbraw/zinc/40/92/51/1014409251.db2.gz RPZRMMHMPCFFGB-INIZCTEOSA-N 1 2 316.361 -0.322 20 30 DBEDLO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(CC#N)CC2)C1)n1cncn1 ZINC001052017160 977605357 /nfs/dbraw/zinc/60/53/57/977605357.db2.gz DROUQUDRXJIWDI-ZIAGYGMSSA-N 1 2 317.397 -0.419 20 30 DBEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(CC)n3)C2)CC1 ZINC001052020768 977607885 /nfs/dbraw/zinc/60/78/85/977607885.db2.gz JDZCOJSPNBERDF-AWEZNQCLSA-N 1 2 316.409 -0.237 20 30 DBEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnn(CC)n3)C2)CC1 ZINC001052020768 977607894 /nfs/dbraw/zinc/60/78/94/977607894.db2.gz JDZCOJSPNBERDF-AWEZNQCLSA-N 1 2 316.409 -0.237 20 30 DBEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)Cc3cncnc3)C2)CC1 ZINC001052020016 977608566 /nfs/dbraw/zinc/60/85/66/977608566.db2.gz DJQXVRIJRAJAIS-INIZCTEOSA-N 1 2 313.405 -0.129 20 30 DBEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnn(CC)n3)C2)CC1 ZINC001052020769 977609095 /nfs/dbraw/zinc/60/90/95/977609095.db2.gz JDZCOJSPNBERDF-CQSZACIVSA-N 1 2 316.409 -0.237 20 30 DBEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnn(CC)n3)C2)CC1 ZINC001052020769 977609104 /nfs/dbraw/zinc/60/91/04/977609104.db2.gz JDZCOJSPNBERDF-CQSZACIVSA-N 1 2 316.409 -0.237 20 30 DBEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnnn3C)C2)CC1 ZINC001052023294 977610233 /nfs/dbraw/zinc/61/02/33/977610233.db2.gz RQUTWMRIGMWYMV-CYBMUJFWSA-N 1 2 302.382 -0.720 20 30 DBEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cnnn3C)C2)CC1 ZINC001052023294 977610240 /nfs/dbraw/zinc/61/02/40/977610240.db2.gz RQUTWMRIGMWYMV-CYBMUJFWSA-N 1 2 302.382 -0.720 20 30 DBEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnnn3CC)C2)CC1 ZINC001052024501 977611556 /nfs/dbraw/zinc/61/15/56/977611556.db2.gz FGLCAOIETVUJLO-AWEZNQCLSA-N 1 2 316.409 -0.237 20 30 DBEDLO 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1019873126 /nfs/dbraw/zinc/87/31/26/1019873126.db2.gz DNJOBWRBMKVGCX-SNVBAGLBSA-N 1 2 306.370 -0.833 20 30 DBEDLO C#CCO[C@H](C)C(=O)N[C@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001506615158 1019874575 /nfs/dbraw/zinc/87/45/75/1019874575.db2.gz AMBTZQFCGRQFTQ-VXGBXAGGSA-N 1 2 306.366 -0.899 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2cnc(C)n2C)C1 ZINC001506649670 1019881362 /nfs/dbraw/zinc/88/13/62/1019881362.db2.gz LEJXQGGNUIUMIS-LLVKDONJSA-N 1 2 317.393 -0.472 20 30 DBEDLO Cc1nn[nH]c1C(=O)N[C@H]1C[N@H+](CC(=O)NCC#N)CC1(C)C ZINC001506743522 1019896002 /nfs/dbraw/zinc/89/60/02/1019896002.db2.gz HVYZGYZPYJYJJU-JTQLQIEISA-N 1 2 319.369 -0.807 20 30 DBEDLO Cc1nn[nH]c1C(=O)N[C@H]1C[N@@H+](CC(=O)NCC#N)CC1(C)C ZINC001506743522 1019896008 /nfs/dbraw/zinc/89/60/08/1019896008.db2.gz HVYZGYZPYJYJJU-JTQLQIEISA-N 1 2 319.369 -0.807 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3nnnn3C3CC3)C[C@H]21 ZINC001506768869 1019905196 /nfs/dbraw/zinc/90/51/96/1019905196.db2.gz 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C#CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001278358418 803783740 /nfs/dbraw/zinc/78/37/40/803783740.db2.gz XLZBRAYXAIXJKO-INIZCTEOSA-N 1 2 316.361 -0.736 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001278358418 803783745 /nfs/dbraw/zinc/78/37/45/803783745.db2.gz XLZBRAYXAIXJKO-INIZCTEOSA-N 1 2 316.361 -0.736 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2nnn(C)c2C)C1 ZINC001278375260 803784478 /nfs/dbraw/zinc/78/44/78/803784478.db2.gz OZKFYLUNEVJDQY-OAHLLOKOSA-N 1 2 318.381 -0.933 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2nnn(C)c2C)C1 ZINC001278375260 803784484 /nfs/dbraw/zinc/78/44/84/803784484.db2.gz OZKFYLUNEVJDQY-OAHLLOKOSA-N 1 2 318.381 -0.933 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2cnn(CC)n2)C1 ZINC001278388348 803786931 /nfs/dbraw/zinc/78/69/31/803786931.db2.gz JYAFITIDMNKSOT-HNNXBMFYSA-N 1 2 318.381 -0.758 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2cnn(CC)n2)C1 ZINC001278388348 803786934 /nfs/dbraw/zinc/78/69/34/803786934.db2.gz JYAFITIDMNKSOT-HNNXBMFYSA-N 1 2 318.381 -0.758 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)c2cnn(CC)n2)C1 ZINC001278388351 803787341 /nfs/dbraw/zinc/78/73/41/803787341.db2.gz JYAFITIDMNKSOT-OAHLLOKOSA-N 1 2 318.381 -0.758 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)c2cnn(CC)n2)C1 ZINC001278388351 803787349 /nfs/dbraw/zinc/78/73/49/803787349.db2.gz JYAFITIDMNKSOT-OAHLLOKOSA-N 1 2 318.381 -0.758 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001278389835 803787686 /nfs/dbraw/zinc/78/76/86/803787686.db2.gz XREFXHRXIIZPCU-AWEZNQCLSA-N 1 2 306.370 -0.689 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001278389835 803787692 /nfs/dbraw/zinc/78/76/92/803787692.db2.gz XREFXHRXIIZPCU-AWEZNQCLSA-N 1 2 306.370 -0.689 20 30 DBEDLO CCC(=O)NCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC001278504964 803796202 /nfs/dbraw/zinc/79/62/02/803796202.db2.gz GYRPSSYPNDCHTM-VXGBXAGGSA-N 1 2 323.397 -0.879 20 30 DBEDLO CCC(=O)NCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)[C@@H]1C ZINC001278504964 803796207 /nfs/dbraw/zinc/79/62/07/803796207.db2.gz GYRPSSYPNDCHTM-VXGBXAGGSA-N 1 2 323.397 -0.879 20 30 DBEDLO COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001278765871 803816219 /nfs/dbraw/zinc/81/62/19/803816219.db2.gz DQRMVJKYTLXKQM-INIZCTEOSA-N 1 2 320.393 -0.157 20 30 DBEDLO COCC#CC[N@H+]1CC[C@](O)(CNC(=O)c2[nH]nc(C)c2C)C1 ZINC001278765871 803816232 /nfs/dbraw/zinc/81/62/32/803816232.db2.gz DQRMVJKYTLXKQM-INIZCTEOSA-N 1 2 320.393 -0.157 20 30 DBEDLO CC(C)C#CC(=O)NC[C@@]1(O)CC[N@H+](Cc2cn(C)nn2)C1 ZINC001278776261 803821710 /nfs/dbraw/zinc/82/17/10/803821710.db2.gz HFKHSNADPXIYFB-HNNXBMFYSA-N 1 2 305.382 -0.473 20 30 DBEDLO CC(C)C#CC(=O)NC[C@@]1(O)CC[N@@H+](Cc2cn(C)nn2)C1 ZINC001278776261 803821719 /nfs/dbraw/zinc/82/17/19/803821719.db2.gz HFKHSNADPXIYFB-HNNXBMFYSA-N 1 2 305.382 -0.473 20 30 DBEDLO C=CC[N@H+]1CC[C@](O)(CNC(=O)CC2CS(=O)(=O)C2)C1 ZINC001278786848 803825709 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C=CCOCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCNC1=O)CO2 ZINC001280966698 804049577 /nfs/dbraw/zinc/04/95/77/804049577.db2.gz DFEIRKYEJBUJEY-STQMWFEESA-N 1 2 323.393 -0.715 20 30 DBEDLO C#CCOCCC(=O)N(C)C[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001281003445 804056491 /nfs/dbraw/zinc/05/64/91/804056491.db2.gz VTRBYRGCOWOBOQ-GFCCVEGCSA-N 1 2 306.366 -0.045 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001035574264 814988832 /nfs/dbraw/zinc/98/88/32/814988832.db2.gz OSXWQQQBMKGFAA-VIFPVBQESA-N 1 2 324.337 -0.487 20 30 DBEDLO C=CC[N@H+]1CCO[C@@H](CNC(=O)c2[nH]c(=O)[nH]c(=O)c2OC)C1 ZINC001035574264 814988835 /nfs/dbraw/zinc/98/88/35/814988835.db2.gz OSXWQQQBMKGFAA-VIFPVBQESA-N 1 2 324.337 -0.487 20 30 DBEDLO CC(C)C#CC(=O)NC[C@H](CO)NC(=O)CCc1[nH+]ccn1C ZINC001281076573 804078636 /nfs/dbraw/zinc/07/86/36/804078636.db2.gz DYLCBWMXTVLHGO-CYBMUJFWSA-N 1 2 320.393 -0.395 20 30 DBEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CC)C(=O)N1CCOCC1 ZINC000752509530 804090031 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ZINC001086336505 825232938 /nfs/dbraw/zinc/23/29/38/825232938.db2.gz CBZPVIISZYNTTF-HOMQSWHASA-N 1 2 314.353 -0.292 20 30 DBEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090196007 825593785 /nfs/dbraw/zinc/59/37/85/825593785.db2.gz ABMUXNNUCKBDBS-UWVGGRQHSA-N 1 2 315.761 -0.712 20 30 DBEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CN=NC2=O)[C@@H](O)C1 ZINC001090196007 825593790 /nfs/dbraw/zinc/59/37/90/825593790.db2.gz ABMUXNNUCKBDBS-UWVGGRQHSA-N 1 2 315.761 -0.712 20 30 DBEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090196006 825593914 /nfs/dbraw/zinc/59/39/14/825593914.db2.gz ABMUXNNUCKBDBS-NXEZZACHSA-N 1 2 315.761 -0.712 20 30 DBEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CN=NC2=O)[C@H](O)C1 ZINC001090196006 825593917 /nfs/dbraw/zinc/59/39/17/825593917.db2.gz ABMUXNNUCKBDBS-NXEZZACHSA-N 1 2 315.761 -0.712 20 30 DBEDLO N#CCN1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](O)C1 ZINC001090279755 825620463 /nfs/dbraw/zinc/62/04/63/825620463.db2.gz 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C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@@H](O)C1 ZINC001090495422 825720833 /nfs/dbraw/zinc/72/08/33/825720833.db2.gz HFAYMDPOWQORDO-BDAKNGLRSA-N 1 2 300.750 -0.872 20 30 DBEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090527562 825735145 /nfs/dbraw/zinc/73/51/45/825735145.db2.gz ZKDBCCNRARKZKF-ONGXEEELSA-N 1 2 312.757 -0.313 20 30 DBEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)cn2)[C@@H](O)C1 ZINC001090527562 825735147 /nfs/dbraw/zinc/73/51/47/825735147.db2.gz ZKDBCCNRARKZKF-ONGXEEELSA-N 1 2 312.757 -0.313 20 30 DBEDLO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001090535997 825741512 /nfs/dbraw/zinc/74/15/12/825741512.db2.gz YSFJOWAYPZWKIX-OLZOCXBDSA-N 1 2 320.324 -0.766 20 30 DBEDLO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C2)c1 ZINC001090535997 825741517 /nfs/dbraw/zinc/74/15/17/825741517.db2.gz YSFJOWAYPZWKIX-OLZOCXBDSA-N 1 2 320.324 -0.766 20 30 DBEDLO C#CCN1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090732311 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308.382 -0.318 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3COC(=O)N3)nn2)C1 ZINC001094287894 826220660 /nfs/dbraw/zinc/22/06/60/826220660.db2.gz UVWZNGKRZURMMN-NSHDSACASA-N 1 2 306.326 -0.955 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3csnn3)nn2)C1 ZINC001094308227 826227273 /nfs/dbraw/zinc/22/72/73/826227273.db2.gz KVMYMBDFTOXDPR-UHFFFAOYSA-N 1 2 317.378 -0.060 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)nn2)C1 ZINC001094310974 826228103 /nfs/dbraw/zinc/22/81/03/826228103.db2.gz CBBSIWGUBPSJHV-WDNDVIMCSA-N 1 2 303.366 -0.171 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3nonc3C)nn2)C1 ZINC001094342783 826236681 /nfs/dbraw/zinc/23/66/81/826236681.db2.gz QMMOIBJVHCGECW-UHFFFAOYSA-N 1 2 303.326 -0.058 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cc[n+]([O-])cc3)CC2=O)C1 ZINC001094698303 826259959 /nfs/dbraw/zinc/25/99/59/826259959.db2.gz ALIFABVYOVSNFD-ZDUSSCGKSA-N 1 2 316.361 -0.479 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cnn(C)c3)CC2=O)C1 ZINC001094701048 826260710 /nfs/dbraw/zinc/26/07/10/826260710.db2.gz NAJVEFSODTVYCK-GFCCVEGCSA-N 1 2 303.366 -0.379 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3nccnc3N)CC2=O)C1 ZINC001094715091 826267737 /nfs/dbraw/zinc/26/77/37/826267737.db2.gz HIPJCBRVLVKRND-SNVBAGLBSA-N 1 2 316.365 -0.740 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H]3COC(=O)C3)CC2=O)C1 ZINC001094721587 826270260 /nfs/dbraw/zinc/27/02/60/826270260.db2.gz GKYYGCTUKHVFHF-NWDGAFQWSA-N 1 2 321.377 -0.473 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3nn(C)cc3C)CC2=O)C1 ZINC001094737552 826276891 /nfs/dbraw/zinc/27/68/91/826276891.db2.gz WLYPQLZEYUYSSL-GFCCVEGCSA-N 1 2 317.393 -0.071 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)Cn3nccn3)CC2=O)C1 ZINC001094742053 826277484 /nfs/dbraw/zinc/27/74/84/826277484.db2.gz MZSZKTSNLXWYQH-GFCCVEGCSA-N 1 2 318.381 -0.745 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H]3CCNC3=O)CC2=O)C1 ZINC001094743754 826277683 /nfs/dbraw/zinc/27/76/83/826277683.db2.gz KOWZISDYNFTKGV-NWDGAFQWSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3OCCO[C@H]3C)CC2=O)C1 ZINC001094747026 826278416 /nfs/dbraw/zinc/27/84/16/826278416.db2.gz HJZKAGSWPKUANU-ZOWXZIJZSA-N 1 2 323.393 -0.622 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C3CC(OC)C3)CC2=O)C1 ZINC001094750216 826279627 /nfs/dbraw/zinc/27/96/27/826279627.db2.gz YLPWTYZQGGOPKC-MBHSVXNSSA-N 1 2 307.394 -0.001 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cncn3C)CC2=O)C1 ZINC001094753483 826280259 /nfs/dbraw/zinc/28/02/59/826280259.db2.gz LUIUPXMLUXYWQX-LLVKDONJSA-N 1 2 303.366 -0.379 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)c3cn[nH]n3)CC2=O)C1 ZINC001094753424 826280529 /nfs/dbraw/zinc/28/05/29/826280529.db2.gz KHHJVHLGUBBLEE-SNVBAGLBSA-N 1 2 304.354 -0.604 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCC(=O)NC3)CC2=O)C1 ZINC001094758273 826281053 /nfs/dbraw/zinc/28/10/53/826281053.db2.gz ZSPXWZHQAXCZAG-RYUDHWBXSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCNC3=O)CC2=O)C1 ZINC001094768131 826283171 /nfs/dbraw/zinc/28/31/71/826283171.db2.gz POQRYAZMCFTDQA-WCQYABFASA-N 1 2 320.393 -0.900 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3c(C)cnn3C)CC2=O)C1 ZINC001094773492 826284260 /nfs/dbraw/zinc/28/42/60/826284260.db2.gz XQMOBUQHTZOCNX-GFCCVEGCSA-N 1 2 317.393 -0.071 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)Cc3cnoc3)CC2=O)C1 ZINC001094777840 826285112 /nfs/dbraw/zinc/28/51/12/826285112.db2.gz CTFKVRLDMSLTKT-GFCCVEGCSA-N 1 2 304.350 -0.196 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@H]3CCC(=O)N3)CC2=O)C1 ZINC001094795637 826288589 /nfs/dbraw/zinc/28/85/89/826288589.db2.gz UXPAVRXFDXZSTA-VXGBXAGGSA-N 1 2 320.393 -0.758 20 30 DBEDLO Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC(=O)N(C2CN(CC#N)C2)C1 ZINC001094811291 826292639 /nfs/dbraw/zinc/29/26/39/826292639.db2.gz MCXCMJYYZMKFFM-NSHDSACASA-N 1 2 316.365 -0.815 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3cncn3)CC2=O)C1 ZINC001094813790 826293451 /nfs/dbraw/zinc/29/34/51/826293451.db2.gz RGNRZGHSAFJQKN-LBPRGKRZSA-N 1 2 318.381 -0.745 20 30 DBEDLO 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CN(C[C@H](O)CNc1ccncc1C#N)C(=O)Cn1cc[nH+]c1 ZINC001124398981 829747060 /nfs/dbraw/zinc/74/70/60/829747060.db2.gz HZKUPEQDJBYFTG-CYBMUJFWSA-N 1 2 314.349 -0.497 20 30 DBEDLO CN(C[C@@H](O)CNc1ccc(C#N)nn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001124483527 829755986 /nfs/dbraw/zinc/75/59/86/829755986.db2.gz MDRPIJBOSCFFBS-NSHDSACASA-N 1 2 315.337 -0.455 20 30 DBEDLO CN(C[C@H](O)CNc1ccncc1C#N)C(=O)Cc1c[nH+]c[nH]1 ZINC001124786525 829788183 /nfs/dbraw/zinc/78/81/83/829788183.db2.gz NNCYAOIYWZGQSP-CYBMUJFWSA-N 1 2 314.349 -0.428 20 30 DBEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nn(C)cc1Cl ZINC001125998132 829893049 /nfs/dbraw/zinc/89/30/49/829893049.db2.gz KWSSQWUSYLXDSE-UHFFFAOYSA-N 1 2 311.773 -0.581 20 30 DBEDLO CNC(=O)Cc1noc(C[NH2+]CCNC(=O)C#CC(C)(C)C)n1 ZINC001126921490 829968783 /nfs/dbraw/zinc/96/87/83/829968783.db2.gz QSLOINBTBXMABW-UHFFFAOYSA-N 1 2 321.381 -0.387 20 30 DBEDLO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2[nH]ncc21 ZINC001127339302 830005554 /nfs/dbraw/zinc/00/55/54/830005554.db2.gz 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/nfs/dbraw/zinc/64/85/48/825648548.db2.gz AYPFFDMMMGFXSQ-STQMWFEESA-N 1 2 304.350 -0.292 20 30 DBEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2O)cc1 ZINC001090484039 825716540 /nfs/dbraw/zinc/71/65/40/825716540.db2.gz VUFVOZPPQXHVHF-ZIAGYGMSSA-N 1 2 301.346 -0.682 20 30 DBEDLO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2O)cc1 ZINC001090484039 825716544 /nfs/dbraw/zinc/71/65/44/825716544.db2.gz VUFVOZPPQXHVHF-ZIAGYGMSSA-N 1 2 301.346 -0.682 20 30 DBEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090495425 825721073 /nfs/dbraw/zinc/72/10/73/825721073.db2.gz HFAYMDPOWQORDO-RKDXNWHRSA-N 1 2 300.750 -0.872 20 30 DBEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2nnn(C)n2)[C@H](O)C1 ZINC001090495425 825721078 /nfs/dbraw/zinc/72/10/78/825721078.db2.gz HFAYMDPOWQORDO-RKDXNWHRSA-N 1 2 300.750 -0.872 20 30 DBEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H](O)C1 ZINC001090610549 825762385 /nfs/dbraw/zinc/76/23/85/825762385.db2.gz SIHDLUQEVZMTQL-OLZOCXBDSA-N 1 2 316.423 -0.451 20 30 DBEDLO C=CC[N@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@@H](O)C1 ZINC001090610549 825762386 /nfs/dbraw/zinc/76/23/86/825762386.db2.gz SIHDLUQEVZMTQL-OLZOCXBDSA-N 1 2 316.423 -0.451 20 30 DBEDLO C=CCCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001115324973 828830081 /nfs/dbraw/zinc/83/00/81/828830081.db2.gz ZCEJHEDVYUFAGI-IMRBUKKESA-N 1 2 316.423 -0.330 20 30 DBEDLO C=CCCOCC(=O)N[C@@H]1[C@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]21 ZINC001115324973 828830087 /nfs/dbraw/zinc/83/00/87/828830087.db2.gz ZCEJHEDVYUFAGI-IMRBUKKESA-N 1 2 316.423 -0.330 20 30 DBEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@@H]1O ZINC001090763831 825827696 /nfs/dbraw/zinc/82/76/96/825827696.db2.gz MLTBFEBYQWEDOG-CABCVRRESA-N 1 2 315.373 -0.753 20 30 DBEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@@H]1O ZINC001090763831 825827703 /nfs/dbraw/zinc/82/77/03/825827703.db2.gz MLTBFEBYQWEDOG-CABCVRRESA-N 1 2 315.373 -0.753 20 30 DBEDLO C=CCCOCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115324116 828830559 /nfs/dbraw/zinc/83/05/59/828830559.db2.gz LEAZYXXRUCJTJD-YABSGUDNSA-N 1 2 321.381 -0.753 20 30 DBEDLO C=CCCOCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3nc(=O)n(C)[nH]3)C[C@H]21 ZINC001115324116 828830569 /nfs/dbraw/zinc/83/05/69/828830569.db2.gz LEAZYXXRUCJTJD-YABSGUDNSA-N 1 2 321.381 -0.753 20 30 DBEDLO N#Cc1nccc(N[C@H]2C[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001091352491 825954386 /nfs/dbraw/zinc/95/43/86/825954386.db2.gz VWGTYYYYKGUFIF-TXEJJXNPSA-N 1 2 311.349 -0.026 20 30 DBEDLO C#CCOCCC(=O)N[C@H]1CCN(c2cc[nH+]c(C)n2)C[C@@H]1O ZINC001092160941 826011818 /nfs/dbraw/zinc/01/18/18/826011818.db2.gz BCMRPYYMWKPJGY-KBPBESRZSA-N 1 2 318.377 -0.119 20 30 DBEDLO N#Cc1nccc(NC2CC(CNC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001092227818 826018074 /nfs/dbraw/zinc/01/80/74/826018074.db2.gz VWGTYYYYKGUFIF-UHFFFAOYSA-N 1 2 311.349 -0.026 20 30 DBEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1nccn12 ZINC001092356166 826029201 /nfs/dbraw/zinc/02/92/01/826029201.db2.gz GZMDXTQHFNJIEH-NEPJUHHUSA-N 1 2 315.377 -0.080 20 30 DBEDLO N#CCCC[NH+]1CC2(C1)COCC(=O)N2C[C@@H]1CCC(=O)N1 ZINC001274041031 833009951 /nfs/dbraw/zinc/00/99/51/833009951.db2.gz ZMFZIHYQNYSNAJ-LBPRGKRZSA-N 1 2 306.366 -0.518 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccc(=O)[nH]n3)nn2)C1 ZINC001094271249 826214216 /nfs/dbraw/zinc/21/42/16/826214216.db2.gz QNKJSQPYQQGQLO-UHFFFAOYSA-N 1 2 315.337 -0.254 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[C@@H]3C(=O)OC)nn2)C1 ZINC001094279372 826218205 /nfs/dbraw/zinc/21/82/05/826218205.db2.gz JJMYEPHVEOQAHN-STQMWFEESA-N 1 2 319.365 -0.254 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3COCCN3C)nn2)C1 ZINC001094285180 826219885 /nfs/dbraw/zinc/21/98/85/826219885.db2.gz DEKIIKFITYMYKX-AWEZNQCLSA-N 1 2 320.397 -0.732 20 30 DBEDLO N#Cc1ccc(C(=O)NCc2cn(C3C[NH+](CCO)C3)nn2)[nH]1 ZINC001094284992 826219934 /nfs/dbraw/zinc/21/99/34/826219934.db2.gz YDGKWJLSDXZECE-UHFFFAOYSA-N 1 2 315.337 -0.743 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cnn(CC)n3)nn2)C1 ZINC001094288278 826221918 /nfs/dbraw/zinc/22/19/18/826221918.db2.gz LEKVRBUBYMGDRU-UHFFFAOYSA-N 1 2 316.369 -0.138 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cnnn3C)nn2)C1 ZINC001094288868 826222278 /nfs/dbraw/zinc/22/22/78/826222278.db2.gz XLTDRQXUJMQZPS-UHFFFAOYSA-N 1 2 302.342 -0.621 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 ZINC001094290357 826223372 /nfs/dbraw/zinc/22/33/72/826223372.db2.gz AZIOEYSSYDWIKJ-CHWSQXEVSA-N 1 2 320.353 -0.008 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCCNC3=O)nn2)C1 ZINC001094298083 826224096 /nfs/dbraw/zinc/22/40/96/826224096.db2.gz FGGTWZYIJYRWEB-CYBMUJFWSA-N 1 2 318.381 -0.537 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cncn3C)nn2)C1 ZINC001094303695 826226036 /nfs/dbraw/zinc/22/60/36/826226036.db2.gz VZGHWDDNLPPQNR-UHFFFAOYSA-N 1 2 301.354 -0.016 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 ZINC001094326553 826231466 /nfs/dbraw/zinc/23/14/66/826231466.db2.gz JNUYZLKUVCADKU-UHFFFAOYSA-N 1 2 314.353 -0.783 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3cnon3)nn2)C1 ZINC001094330896 826233670 /nfs/dbraw/zinc/23/36/70/826233670.db2.gz WFWCHEQTRIILIU-UHFFFAOYSA-N 1 2 301.310 -0.529 20 30 DBEDLO C=CCN1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094665256 826254244 /nfs/dbraw/zinc/25/42/44/826254244.db2.gz UROVTLNGHCIFGF-QWHCGFSZSA-N 1 2 324.406 -0.552 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cnccn3)CC2=O)C1 ZINC001094698246 826259623 /nfs/dbraw/zinc/25/96/23/826259623.db2.gz YZOWAPVIOUBPMX-LLVKDONJSA-N 1 2 301.350 -0.323 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CN3CCCC3=O)CC2=O)C1 ZINC001094701623 826261332 /nfs/dbraw/zinc/26/13/32/826261332.db2.gz QDIGMAATSJLJOX-LBPRGKRZSA-N 1 2 320.393 -0.804 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)Cn3cccn3)CC2=O)C1 ZINC001094705679 826263342 /nfs/dbraw/zinc/26/33/42/826263342.db2.gz OOSLTWMMQFAHKA-LBPRGKRZSA-N 1 2 303.366 -0.530 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@H]3COC(=O)C3)CC2=O)C1 ZINC001094721586 826270132 /nfs/dbraw/zinc/27/01/32/826270132.db2.gz GKYYGCTUKHVFHF-NEPJUHHUSA-N 1 2 321.377 -0.473 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cnn(C)c3N)CC2=O)C1 ZINC001094727446 826272646 /nfs/dbraw/zinc/27/26/46/826272646.db2.gz MKKSAMJJLXGJJN-SNVBAGLBSA-N 1 2 318.381 -0.797 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cc(OC)no3)CC2=O)C1 ZINC001094727886 826272803 /nfs/dbraw/zinc/27/28/03/826272803.db2.gz QMFXAKATIYCLKP-JTQLQIEISA-N 1 2 320.349 -0.116 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)Cc3ccnn3C)CC2=O)C1 ZINC001094730668 826274079 /nfs/dbraw/zinc/27/40/79/826274079.db2.gz HKTBXGGCETXXPU-LBPRGKRZSA-N 1 2 317.393 -0.450 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@H]3CCNC3=O)CC2=O)C1 ZINC001094743756 826277494 /nfs/dbraw/zinc/27/74/94/826277494.db2.gz KOWZISDYNFTKGV-VXGBXAGGSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCCNC3=O)CC2=O)C1 ZINC001094747409 826278870 /nfs/dbraw/zinc/27/88/70/826278870.db2.gz ROHXBWNBQXVTSA-DGCLKSJQSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cnc[nH]c3=O)CC2=O)C1 ZINC001094751034 826279608 /nfs/dbraw/zinc/27/96/08/826279608.db2.gz NTEFBMHGPDJTGK-JTQLQIEISA-N 1 2 317.349 -0.617 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2=O)C1 ZINC001094772107 826283853 /nfs/dbraw/zinc/28/38/53/826283853.db2.gz OOAOMWHMWSGZHS-UYHMYPTGSA-N 1 2 319.405 -0.144 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@]3(F)CCOC3)CC2=O)C1 ZINC001094778010 826285060 /nfs/dbraw/zinc/28/50/60/826285060.db2.gz ISYOKPQXFBIZQB-XHDPSFHLSA-N 1 2 311.357 -0.298 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)c3cnn(C)n3)CC2=O)C1 ZINC001094795759 826288923 /nfs/dbraw/zinc/28/89/23/826288923.db2.gz YIQFZNFUUVWQLH-NSHDSACASA-N 1 2 318.381 -0.594 20 30 DBEDLO C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)c3ncn[nH]3)CC2=O)C1 ZINC001094796794 826289501 /nfs/dbraw/zinc/28/95/01/826289501.db2.gz DPJXAOJBMSONQS-LLVKDONJSA-N 1 2 318.381 -0.214 20 30 DBEDLO C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)c3nc[nH]n3)CC2=O)C1 ZINC001094796794 826289503 /nfs/dbraw/zinc/28/95/03/826289503.db2.gz DPJXAOJBMSONQS-LLVKDONJSA-N 1 2 318.381 -0.214 20 30 DBEDLO C=CCC[NH+]1CC(N2C[C@@H](NC(=O)c3nnc[nH]3)CC2=O)C1 ZINC001094798359 826289834 /nfs/dbraw/zinc/28/98/34/826289834.db2.gz WYBDSORGCHSNAN-JTQLQIEISA-N 1 2 304.354 -0.604 20 30 DBEDLO C=CCC[NH+]1CC(N2C[C@@H](NC(=O)c3ncn[nH]3)CC2=O)C1 ZINC001094798359 826289836 /nfs/dbraw/zinc/28/98/36/826289836.db2.gz WYBDSORGCHSNAN-JTQLQIEISA-N 1 2 304.354 -0.604 20 30 DBEDLO C=CCC[NH+]1CC(N2C[C@@H](NC(=O)c3nc[nH]n3)CC2=O)C1 ZINC001094798359 826289838 /nfs/dbraw/zinc/28/98/38/826289838.db2.gz WYBDSORGCHSNAN-JTQLQIEISA-N 1 2 304.354 -0.604 20 30 DBEDLO C=CCN1CC(N2C[C@H](NC(=O)Cc3c[nH+]cn3C)CC2=O)C1 ZINC001094807886 826291903 /nfs/dbraw/zinc/29/19/03/826291903.db2.gz GNZAYKNNZZNUSR-GFCCVEGCSA-N 1 2 317.393 -0.450 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)c3nonc3C)CC2=O)C1 ZINC001094820608 826295175 /nfs/dbraw/zinc/29/51/75/826295175.db2.gz KLBGAUAZJGBDCP-LLVKDONJSA-N 1 2 319.365 -0.031 20 30 DBEDLO 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ZINC001096266592 826366977 /nfs/dbraw/zinc/36/69/77/826366977.db2.gz QUJOZAGNQXQEIF-UHFFFAOYSA-N 1 2 304.354 -0.767 20 30 DBEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)C#CC3CC3)CC2)nn1 ZINC001096282162 826368191 /nfs/dbraw/zinc/36/81/91/826368191.db2.gz BDJDGWOUXRZDKG-UHFFFAOYSA-N 1 2 324.388 0.000 20 30 DBEDLO N#Cc1nccc(N[C@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)n1 ZINC001096683549 826393759 /nfs/dbraw/zinc/39/37/59/826393759.db2.gz NINBNZKUTMFTLM-GFCCVEGCSA-N 1 2 311.349 -0.026 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnns3)C2)nn1 ZINC001098626334 826510331 /nfs/dbraw/zinc/51/03/31/826510331.db2.gz OPMHBLQBXZOKKL-LLVKDONJSA-N 1 2 317.378 -0.060 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(=O)CC)C2)nn1 ZINC001098644493 826513850 /nfs/dbraw/zinc/51/38/50/826513850.db2.gz BGSMTNVHVZCWAI-ZDUSSCGKSA-N 1 2 318.381 -0.700 20 30 DBEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC(=O)NC)C2)nn1 ZINC001098658548 826515111 /nfs/dbraw/zinc/51/51/11/826515111.db2.gz GOBDGNKJEPODRZ-ZDUSSCGKSA-N 1 2 318.381 -0.700 20 30 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/nfs/dbraw/zinc/93/12/50/827931250.db2.gz LFQRGYIQWCOURH-OAHLLOKOSA-N 1 2 323.397 -0.333 20 30 DBEDLO C=CCCn1cc(C(=O)NC[C@]2(C)C[N@@H+](CCO)CCO2)nn1 ZINC001108270596 827931254 /nfs/dbraw/zinc/93/12/54/827931254.db2.gz LFQRGYIQWCOURH-OAHLLOKOSA-N 1 2 323.397 -0.333 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001108276855 827932047 /nfs/dbraw/zinc/93/20/47/827932047.db2.gz VWWBZCPAAAXWOB-HNNXBMFYSA-N 1 2 307.394 -0.257 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2(C(=O)NC)CC2)C1 ZINC001108276855 827932050 /nfs/dbraw/zinc/93/20/50/827932050.db2.gz VWWBZCPAAAXWOB-HNNXBMFYSA-N 1 2 307.394 -0.257 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001108276776 827932462 /nfs/dbraw/zinc/93/24/62/827932462.db2.gz SWVSRRZMQMXINX-CJNGLKHVSA-N 1 2 307.394 -0.115 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@H]2CCC(=O)N2)C1 ZINC001108276776 827932469 /nfs/dbraw/zinc/93/24/69/827932469.db2.gz SWVSRRZMQMXINX-CJNGLKHVSA-N 1 2 307.394 -0.115 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001108305069 827942758 /nfs/dbraw/zinc/94/27/58/827942758.db2.gz WAKSUKYXGNWNSR-INIZCTEOSA-N 1 2 318.377 -0.042 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001108305069 827942768 /nfs/dbraw/zinc/94/27/68/827942768.db2.gz WAKSUKYXGNWNSR-INIZCTEOSA-N 1 2 318.377 -0.042 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)COCc2ncnn2C)C1 ZINC001108313848 827944312 /nfs/dbraw/zinc/94/43/12/827944312.db2.gz HQTOLBQUHYHNNV-HNNXBMFYSA-N 1 2 323.397 -0.275 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)COCc2ncnn2C)C1 ZINC001108313848 827944316 /nfs/dbraw/zinc/94/43/16/827944316.db2.gz HQTOLBQUHYHNNV-HNNXBMFYSA-N 1 2 323.397 -0.275 20 30 DBEDLO C=CCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001108335103 827951564 /nfs/dbraw/zinc/95/15/64/827951564.db2.gz WRTRIDFFDIYFLJ-HNNXBMFYSA-N 1 2 323.397 -0.243 20 30 DBEDLO C=CCOCC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2nc[nH]n2)C1 ZINC001108335103 827951568 /nfs/dbraw/zinc/95/15/68/827951568.db2.gz WRTRIDFFDIYFLJ-HNNXBMFYSA-N 1 2 323.397 -0.243 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001108382925 827961215 /nfs/dbraw/zinc/96/12/15/827961215.db2.gz QWTMVPUTMFHAKY-MRXNPFEDSA-N 1 2 318.377 -0.376 20 30 DBEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001108382925 827961221 /nfs/dbraw/zinc/96/12/21/827961221.db2.gz QWTMVPUTMFHAKY-MRXNPFEDSA-N 1 2 318.377 -0.376 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001108385982 827962879 /nfs/dbraw/zinc/96/28/79/827962879.db2.gz VFRHUSHIQJLFSO-NHYWBVRUSA-N 1 2 324.381 -0.632 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001108385982 827962882 /nfs/dbraw/zinc/96/28/82/827962882.db2.gz VFRHUSHIQJLFSO-NHYWBVRUSA-N 1 2 324.381 -0.632 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001108385370 827962949 /nfs/dbraw/zinc/96/29/49/827962949.db2.gz FOTIZWXCJKKVET-HNNXBMFYSA-N 1 2 324.381 -0.727 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CN2C(=O)CN(C)C2=O)C1 ZINC001108385370 827962952 /nfs/dbraw/zinc/96/29/52/827962952.db2.gz FOTIZWXCJKKVET-HNNXBMFYSA-N 1 2 324.381 -0.727 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001108386376 827962989 /nfs/dbraw/zinc/96/29/89/827962989.db2.gz DCTJUQGCTNXEGX-INIZCTEOSA-N 1 2 321.377 -0.634 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001108386376 827962994 /nfs/dbraw/zinc/96/29/94/827962994.db2.gz DCTJUQGCTNXEGX-INIZCTEOSA-N 1 2 321.377 -0.634 20 30 DBEDLO C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001108410420 827970205 /nfs/dbraw/zinc/97/02/05/827970205.db2.gz QSRXFURIYHHXRO-WBVHZDCISA-N 1 2 323.437 -0.063 20 30 DBEDLO C#CCCN1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001108410420 827970207 /nfs/dbraw/zinc/97/02/07/827970207.db2.gz QSRXFURIYHHXRO-WBVHZDCISA-N 1 2 323.437 -0.063 20 30 DBEDLO C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001108410406 827970247 /nfs/dbraw/zinc/97/02/47/827970247.db2.gz QSRXFURIYHHXRO-DOTOQJQBSA-N 1 2 323.437 -0.063 20 30 DBEDLO C#CCCN1CCO[C@](C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001108410406 827970249 /nfs/dbraw/zinc/97/02/49/827970249.db2.gz QSRXFURIYHHXRO-DOTOQJQBSA-N 1 2 323.437 -0.063 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](C)NC(C)=O)CC2=O)C1 ZINC001108499014 827986748 /nfs/dbraw/zinc/98/67/48/827986748.db2.gz DMOJZJQANVSMIC-ZYHUDNBSSA-N 1 2 308.382 -0.902 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H](C)NC(C)=O)CC2=O)C1 ZINC001108500791 827987585 /nfs/dbraw/zinc/98/75/85/827987585.db2.gz ZVUQGGMUUDVOLU-DGCLKSJQSA-N 1 2 322.409 -0.512 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCn3cncn3)CC2=O)C1 ZINC001108508959 827989579 /nfs/dbraw/zinc/98/95/79/827989579.db2.gz AOPQYCFHGNFHQF-GFCCVEGCSA-N 1 2 318.381 -0.745 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CCn3cncn3)CC2=O)C1 ZINC001108508960 827989661 /nfs/dbraw/zinc/98/96/61/827989661.db2.gz AOPQYCFHGNFHQF-LBPRGKRZSA-N 1 2 318.381 -0.745 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CSCC#N)CC2=O)C1 ZINC001108510839 827990343 /nfs/dbraw/zinc/99/03/43/827990343.db2.gz GIGZNUAGPLHQST-LLVKDONJSA-N 1 2 308.407 -0.170 20 30 DBEDLO C=CCOCC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCOC)C2)C1 ZINC001108523447 827995552 /nfs/dbraw/zinc/99/55/52/827995552.db2.gz JPVCGVVGYRGDKD-GFCCVEGCSA-N 1 2 311.382 -0.763 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CNC(=O)CC)CC2=O)C1 ZINC001108523206 827996060 /nfs/dbraw/zinc/99/60/60/827996060.db2.gz DUBAREGZLDCXEK-NSHDSACASA-N 1 2 308.382 -0.900 20 30 DBEDLO CC(C)OCC[NH+]1CC(N2C[C@H](NC(=O)[C@H](C)C#N)CC2=O)C1 ZINC001108527832 827997669 /nfs/dbraw/zinc/99/76/69/827997669.db2.gz PJIFJTSAZBCLKJ-CHWSQXEVSA-N 1 2 322.409 -0.028 20 30 DBEDLO C=CCOCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 ZINC001108528300 827997961 /nfs/dbraw/zinc/99/79/61/827997961.db2.gz VLOCIZZVJYNRQP-STQMWFEESA-N 1 2 320.393 -0.250 20 30 DBEDLO CC(C)OCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C)C#N)CC2=O)C1 ZINC001108527833 827998141 /nfs/dbraw/zinc/99/81/41/827998141.db2.gz PJIFJTSAZBCLKJ-OLZOCXBDSA-N 1 2 322.409 -0.028 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CO[C@@H]3CCOC3)CC2=O)C1 ZINC001108545458 828005276 /nfs/dbraw/zinc/00/52/76/828005276.db2.gz WGJPZLNERLYKBR-TZMCWYRMSA-N 1 2 323.393 -0.621 20 30 DBEDLO CC(C)(C)C#CC(=O)N[C@@H]1CC(=O)N(C2C[NH+](CCO)C2)C1 ZINC001108545283 828005443 /nfs/dbraw/zinc/00/54/43/828005443.db2.gz RNJZIGJUTMEWPX-GFCCVEGCSA-N 1 2 307.394 -0.571 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@@H](C)NC(N)=O)CC2=O)C1 ZINC001108544796 828006022 /nfs/dbraw/zinc/00/60/22/828006022.db2.gz KGWXTEGUPIBOIV-GHMZBOCLSA-N 1 2 323.397 -0.979 20 30 DBEDLO C#CCO[C@H](C)C(=O)N[C@H]1CC(=O)N(C2C[NH+](CC=C)C2)C1 ZINC001108546137 828006284 /nfs/dbraw/zinc/00/62/84/828006284.db2.gz PBQMOOXXGXUYKF-OLZOCXBDSA-N 1 2 305.378 -0.388 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](COC)OC)CC2=O)C1 ZINC001108569514 828018196 /nfs/dbraw/zinc/01/81/96/828018196.db2.gz KCNILQFGIKTSGB-WCQYABFASA-N 1 2 311.382 -0.765 20 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C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)OCC)C2 ZINC001108963563 828073607 /nfs/dbraw/zinc/07/36/07/828073607.db2.gz JPLSFSZEBQJTJL-CRWXNKLISA-N 1 2 307.394 -0.118 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)OC)C2 ZINC001109041934 828080635 /nfs/dbraw/zinc/08/06/35/828080635.db2.gz CXVFFPMYENDFBL-ZOBORPQBSA-N 1 2 307.394 -0.118 20 30 DBEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)OC)C2 ZINC001109041934 828080639 /nfs/dbraw/zinc/08/06/39/828080639.db2.gz CXVFFPMYENDFBL-ZOBORPQBSA-N 1 2 307.394 -0.118 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCOC1)C2 ZINC001109040604 828081315 /nfs/dbraw/zinc/08/13/15/828081315.db2.gz XYAYFQABTSNUEJ-NDBYEHHHSA-N 1 2 306.366 -0.616 20 30 DBEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCOC1)C2 ZINC001109040604 828081322 /nfs/dbraw/zinc/08/13/22/828081322.db2.gz XYAYFQABTSNUEJ-NDBYEHHHSA-N 1 2 306.366 -0.616 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)COC)C2 ZINC001109057872 828082262 /nfs/dbraw/zinc/08/22/62/828082262.db2.gz UZMHVUKOEKYFHG-MQYQWHSLSA-N 1 2 307.394 -0.260 20 30 DBEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)COC)C2 ZINC001109057872 828082265 /nfs/dbraw/zinc/08/22/65/828082265.db2.gz UZMHVUKOEKYFHG-MQYQWHSLSA-N 1 2 307.394 -0.260 20 30 DBEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NC(=O)NC ZINC001109075211 828085672 /nfs/dbraw/zinc/08/56/72/828085672.db2.gz XTKHWEXOFRQTPI-WOPDTQHZSA-N 1 2 324.381 -0.634 20 30 DBEDLO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NC(=O)NC ZINC001109075211 828085679 /nfs/dbraw/zinc/08/56/79/828085679.db2.gz XTKHWEXOFRQTPI-WOPDTQHZSA-N 1 2 324.381 -0.634 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCOC)C2 ZINC001109090264 828086399 /nfs/dbraw/zinc/08/63/99/828086399.db2.gz LIHFBESOFOXUOD-RDBSUJKOSA-N 1 2 323.393 -0.880 20 30 DBEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCCOC)C2 ZINC001109090264 828086404 /nfs/dbraw/zinc/08/64/04/828086404.db2.gz LIHFBESOFOXUOD-RDBSUJKOSA-N 1 2 323.393 -0.880 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCOC1)C2 ZINC001109101384 828087135 /nfs/dbraw/zinc/08/71/35/828087135.db2.gz UMQJICFGGMBZSD-CRWXNKLISA-N 1 2 320.393 -0.226 20 30 DBEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCOC1)C2 ZINC001109101384 828087142 /nfs/dbraw/zinc/08/71/42/828087142.db2.gz UMQJICFGGMBZSD-CRWXNKLISA-N 1 2 320.393 -0.226 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)cn1)C2 ZINC001109147219 828093734 /nfs/dbraw/zinc/09/37/34/828093734.db2.gz VLEHMCFCWMUWKR-DYEKYZERSA-N 1 2 315.377 -0.495 20 30 DBEDLO C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C)cn1)C2 ZINC001109147219 828093737 /nfs/dbraw/zinc/09/37/37/828093737.db2.gz VLEHMCFCWMUWKR-DYEKYZERSA-N 1 2 315.377 -0.495 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CCOCC1)C2 ZINC001109185560 828097618 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1 2 310.398 -0.122 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cn(C)cn2)C1 ZINC001485498572 1013244347 /nfs/dbraw/zinc/24/43/47/1013244347.db2.gz QPKNIDATJUJAHL-NSHDSACASA-N 1 2 303.366 -0.780 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)Cc2nnc(C)o2)C1 ZINC001485504610 1013247664 /nfs/dbraw/zinc/24/76/64/1013247664.db2.gz YFWKVXITKUGZBZ-SNVBAGLBSA-N 1 2 319.365 -0.894 20 30 DBEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001485513332 1013253565 /nfs/dbraw/zinc/25/35/65/1013253565.db2.gz RTQZZYIVWPGLSK-NWDGAFQWSA-N 1 2 322.409 -0.749 20 30 DBEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2ccn(C)n2)C1 ZINC001485536407 1013266272 /nfs/dbraw/zinc/26/62/72/1013266272.db2.gz TZDGYSFSJQGWSX-NSHDSACASA-N 1 2 305.382 -0.228 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2[nH]cnc2C)C1 ZINC001485538310 1013267516 /nfs/dbraw/zinc/26/75/16/1013267516.db2.gz FPKCJGUYNVTNNR-JTQLQIEISA-N 1 2 303.366 -0.482 20 30 DBEDLO CC1(C)C[N@H+](CC(=O)NCC#N)C[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC001485565091 1013273019 /nfs/dbraw/zinc/27/30/19/1013273019.db2.gz CMAREICLHDWUDT-LBPRGKRZSA-N 1 2 318.381 -0.581 20 30 DBEDLO CC1(C)C[N@@H+](CC(=O)NCC#N)C[C@@H]1NC(=O)Cc1cc[nH]n1 ZINC001485565091 1013273032 /nfs/dbraw/zinc/27/30/32/1013273032.db2.gz CMAREICLHDWUDT-LBPRGKRZSA-N 1 2 318.381 -0.581 20 30 DBEDLO Cn1nncc1C[N@H+](C)CCOCCNC(=O)C#CC1CC1 ZINC001485772105 1013355822 /nfs/dbraw/zinc/35/58/22/1013355822.db2.gz HOMCUGBPKLROOT-UHFFFAOYSA-N 1 2 305.382 -0.207 20 30 DBEDLO Cn1nncc1C[N@@H+](C)CCOCCNC(=O)C#CC1CC1 ZINC001485772105 1013355834 /nfs/dbraw/zinc/35/58/34/1013355834.db2.gz HOMCUGBPKLROOT-UHFFFAOYSA-N 1 2 305.382 -0.207 20 30 DBEDLO Cc1nnc(C[NH2+][C@H](CO)CNC(=O)[C@H](C)C#N)n1C1CC1 ZINC001485983742 1013499763 /nfs/dbraw/zinc/49/97/63/1013499763.db2.gz VWNYRYJPLDSCIG-KOLCDFICSA-N 1 2 306.370 -0.352 20 30 DBEDLO CCCn1nnnc1C[NH2+][C@H](CO)CNC(=O)C#CC(C)C ZINC001485995171 1013524071 /nfs/dbraw/zinc/52/40/71/1013524071.db2.gz YOMRENJYILKZON-LBPRGKRZSA-N 1 2 308.386 -0.691 20 30 DBEDLO C#Cc1ccc(C(=O)NC[C@H](CO)[NH2+]Cc2cnn(C)n2)nc1 ZINC001486052779 1013632838 /nfs/dbraw/zinc/63/28/38/1013632838.db2.gz NSNGLOPRCPKLCB-CYBMUJFWSA-N 1 2 314.349 -0.928 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cnnn2C)[C@@H]1C ZINC001486171672 1013700755 /nfs/dbraw/zinc/70/07/55/1013700755.db2.gz VJBDOTSQYFPFBO-RYUDHWBXSA-N 1 2 320.397 -0.300 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cnnn2C)[C@@H]1C ZINC001486171672 1013700761 /nfs/dbraw/zinc/70/07/61/1013700761.db2.gz VJBDOTSQYFPFBO-RYUDHWBXSA-N 1 2 320.397 -0.300 20 30 DBEDLO C#CCOCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@H]1C ZINC001486174504 1013706007 /nfs/dbraw/zinc/70/60/07/1013706007.db2.gz WNDZDUSFNINMAS-UONOGXRCSA-N 1 2 320.393 -0.365 20 30 DBEDLO C#CCOCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)[C@H]1C ZINC001486174504 1013706015 /nfs/dbraw/zinc/70/60/15/1013706015.db2.gz WNDZDUSFNINMAS-UONOGXRCSA-N 1 2 320.393 -0.365 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccn(C)n2)[C@H]1C ZINC001486186112 1013708977 /nfs/dbraw/zinc/70/89/77/1013708977.db2.gz LMDKNVMNGMOASG-OLZOCXBDSA-N 1 2 317.393 -0.248 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccn(C)n2)[C@H]1C ZINC001486186112 1013708994 /nfs/dbraw/zinc/70/89/94/1013708994.db2.gz LMDKNVMNGMOASG-OLZOCXBDSA-N 1 2 317.393 -0.248 20 30 DBEDLO COCC#CC[NH2+][C@H]1CN(C(=O)Cc2ncn[nH]2)CC1(C)C ZINC001486247627 1013730019 /nfs/dbraw/zinc/73/00/19/1013730019.db2.gz JAENKBGLFVBHFT-LBPRGKRZSA-N 1 2 305.382 -0.176 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(C)C ZINC001486373871 1013831336 /nfs/dbraw/zinc/83/13/36/1013831336.db2.gz FQKSPWASWIRICF-FOLVSLTJSA-N 1 2 321.421 -0.203 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)CCN(C(=O)[C@H]1[C@@H]2COC[C@@H]21)C(C)C ZINC001486373871 1013831340 /nfs/dbraw/zinc/83/13/40/1013831340.db2.gz FQKSPWASWIRICF-FOLVSLTJSA-N 1 2 321.421 -0.203 20 30 DBEDLO C#CCO[C@H](C)C(=O)NCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001486507359 1013853467 /nfs/dbraw/zinc/85/34/67/1013853467.db2.gz UMLHSSOLYVTOGQ-CYBMUJFWSA-N 1 2 318.377 -0.587 20 30 DBEDLO C#CCO[C@H](C)C(=O)NCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001486507359 1013853468 /nfs/dbraw/zinc/85/34/68/1013853468.db2.gz UMLHSSOLYVTOGQ-CYBMUJFWSA-N 1 2 318.377 -0.587 20 30 DBEDLO C[C@H]1C[C@H](C(=O)NCC2=CC[N@H+](CC(=O)NCC#N)CC2)CO1 ZINC001486512043 1013853658 /nfs/dbraw/zinc/85/36/58/1013853658.db2.gz VACWIMCTXQNKCV-JSGCOSHPSA-N 1 2 320.393 -0.201 20 30 DBEDLO C[C@H]1C[C@H](C(=O)NCC2=CC[N@@H+](CC(=O)NCC#N)CC2)CO1 ZINC001486512043 1013853660 /nfs/dbraw/zinc/85/36/60/1013853660.db2.gz VACWIMCTXQNKCV-JSGCOSHPSA-N 1 2 320.393 -0.201 20 30 DBEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001527158615 1014191627 /nfs/dbraw/zinc/19/16/27/1014191627.db2.gz HVSHLCOHIGLABH-KBPBESRZSA-N 1 2 318.377 -0.114 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@@H](CO)NC(=O)c1cccc2[nH+]ccn21 ZINC001488082109 1014193218 /nfs/dbraw/zinc/19/32/18/1014193218.db2.gz FIFWZBBLDWJQMY-QWRGUYRKSA-N 1 2 315.333 -0.299 20 30 DBEDLO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001527257733 1014209438 /nfs/dbraw/zinc/20/94/38/1014209438.db2.gz NYWKBESZQOJVNR-STQMWFEESA-N 1 2 318.377 -0.045 20 30 DBEDLO C=CCOC[C@@H](NC(=O)/C=C/C[NH+]1CCOCC1)C(=O)OC ZINC000867968967 977410641 /nfs/dbraw/zinc/41/06/41/977410641.db2.gz JETQGWNPNKLWNJ-MUBLQREKSA-N 1 2 312.366 -0.265 20 30 DBEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3cnccn3)C2)CC1 ZINC001051974103 977586379 /nfs/dbraw/zinc/58/63/79/977586379.db2.gz BNPSUZLMPPBYNP-ZDUSSCGKSA-N 1 2 300.366 -0.168 20 30 DBEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cc[n+]([O-])cc3)C2)CC1 ZINC001051976969 977587062 /nfs/dbraw/zinc/58/70/62/977587062.db2.gz MGFXPDIVUCEWJE-OAHLLOKOSA-N 1 2 315.377 -0.324 20 30 DBEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cnccn3)C2)CC1 ZINC001051974100 977587162 /nfs/dbraw/zinc/58/71/62/977587162.db2.gz BNPSUZLMPPBYNP-CYBMUJFWSA-N 1 2 300.366 -0.168 20 30 DBEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)Cn3cnnn3)C2)CC1 ZINC001051978403 977587373 /nfs/dbraw/zinc/58/73/73/977587373.db2.gz QUDJBPNGQXYXMM-AWEZNQCLSA-N 1 2 319.413 -0.532 20 30 DBEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3COCCO3)C2)CC1 ZINC001051987041 977590419 /nfs/dbraw/zinc/59/04/19/977590419.db2.gz LOKWKDNDNLPYDD-LSDHHAIUSA-N 1 2 307.394 -0.747 20 30 DBEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3COCCO3)C2)CC1 ZINC001051988500 977590522 /nfs/dbraw/zinc/59/05/22/977590522.db2.gz XAIGLKQHHUIWBZ-ZIAGYGMSSA-N 1 2 308.382 -0.856 20 30 DBEDLO Cn1cnc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)n1 ZINC001052023245 977611037 /nfs/dbraw/zinc/61/10/37/977611037.db2.gz QKGNNNGWFZPOPQ-GFCCVEGCSA-N 1 2 303.370 -0.829 20 30 DBEDLO C[C@H](C(N)=O)N1CC[NH+]([C@@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052024721 977612364 /nfs/dbraw/zinc/61/23/64/977612364.db2.gz KYPGSWDPCVCDSG-UKRRQHHQSA-N 1 2 318.421 -0.508 20 30 DBEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C)C3)C2)CC1 ZINC001052035457 977614038 /nfs/dbraw/zinc/61/40/38/977614038.db2.gz JUFUEUQSUQGSHS-LSDHHAIUSA-N 1 2 318.421 -0.684 20 30 DBEDLO Cn1cc(C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)nn1 ZINC001052026694 977615262 /nfs/dbraw/zinc/61/52/62/977615262.db2.gz SEIBIFOAVVYLEN-LBPRGKRZSA-N 1 2 303.370 -0.829 20 30 DBEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCCC(=O)N3)C2)CC1 ZINC001052041072 977616995 /nfs/dbraw/zinc/61/69/95/977616995.db2.gz RDBYWKABZCUMJL-LSDHHAIUSA-N 1 2 318.421 -0.493 20 30 DBEDLO C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052037135 977618689 /nfs/dbraw/zinc/61/86/89/977618689.db2.gz DQMYLRRSJRTGEH-KKUMJFAQSA-N 1 2 322.409 -0.468 20 30 DBEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)C2)CC1 ZINC001052048267 977621455 /nfs/dbraw/zinc/62/14/55/977621455.db2.gz PORYRRXTIBZICO-LSDHHAIUSA-N 1 2 318.421 -0.636 20 30 DBEDLO C=C[C@](C)(O)CC(=O)NC[C@@H](O)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001488398922 1014412183 /nfs/dbraw/zinc/41/21/83/1014412183.db2.gz YFECGMUYYLBMEE-ABAIWWIYSA-N 1 2 324.381 -0.785 20 30 DBEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)CC1 ZINC001052065198 977631363 /nfs/dbraw/zinc/63/13/63/977631363.db2.gz LHBGCYLOXCNHAB-WCVJEAGWSA-N 1 2 303.406 -0.270 20 30 DBEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]c(=O)cn3)C2)CC1 ZINC001052071557 977633584 /nfs/dbraw/zinc/63/35/84/977633584.db2.gz VTSIDHVKOHWLBY-CYBMUJFWSA-N 1 2 315.377 -0.765 20 30 DBEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)CC1 ZINC001052086992 977644229 /nfs/dbraw/zinc/64/42/29/977644229.db2.gz WHTXWOXSVMIOHX-ZNMIVQPWSA-N 1 2 320.437 -0.098 20 30 DBEDLO N#CCN1CC[NH+]([C@H]2CCN(C(=O)c3ccncn3)C2)CC1 ZINC001052098049 977647245 /nfs/dbraw/zinc/64/72/45/977647245.db2.gz CERQERHQWHECFN-ZDUSSCGKSA-N 1 2 300.366 -0.168 20 30 DBEDLO N#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3cccnn3)C2)CC1 ZINC001052099973 977650220 /nfs/dbraw/zinc/65/02/20/977650220.db2.gz VXXCXSZQPLWRIT-CYBMUJFWSA-N 1 2 300.366 -0.168 20 30 DBEDLO N#CCN1CC2(C1)CN(C(=O)[C@H]1CCn3cc[nH+]c3C1)CCO2 ZINC001053314211 977917832 /nfs/dbraw/zinc/91/78/32/977917832.db2.gz NXIGCBBDEXBTNP-ZDUSSCGKSA-N 1 2 315.377 -0.118 20 30 DBEDLO C#CCN1CC2(C1)CN(C(=O)[C@@H]1CCn3cc[nH+]c3C1)CCO2 ZINC001053315010 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MDFUWZOJVCALSE-OLZOCXBDSA-N 1 2 308.382 -0.367 20 30 DBEDLO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001566622077 1024290289 /nfs/dbraw/zinc/29/02/89/1024290289.db2.gz LXWXLBMLFWZVQA-YPMHNXCESA-N 1 2 320.393 -0.176 20 30 DBEDLO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC001566622077 1024290305 /nfs/dbraw/zinc/29/03/05/1024290305.db2.gz LXWXLBMLFWZVQA-YPMHNXCESA-N 1 2 320.393 -0.176 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001566617780 1024291546 /nfs/dbraw/zinc/29/15/46/1024291546.db2.gz KDPBNXQLFBUOGS-KBPBESRZSA-N 1 2 317.393 -0.226 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001566617780 1024291567 /nfs/dbraw/zinc/29/15/67/1024291567.db2.gz KDPBNXQLFBUOGS-KBPBESRZSA-N 1 2 317.393 -0.226 20 30 DBEDLO Cc1nn(C)c(C)c1CC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001566650297 1024313168 /nfs/dbraw/zinc/31/31/68/1024313168.db2.gz BAXIJEHXIHNDNC-UHFFFAOYSA-N 1 2 318.425 -0.163 20 30 DBEDLO N#CCN1CC[NH+](CCNC(=O)C[C@@H]2CCC(=O)NC2)CC1 ZINC001566649745 1024313425 /nfs/dbraw/zinc/31/34/25/1024313425.db2.gz HACWIPJUTTUKOY-ZDUSSCGKSA-N 1 2 307.398 -0.840 20 30 DBEDLO N#CCN1CC[NH+](CCNC(=O)CCOCC(F)F)CC1 ZINC001566648922 1024316037 /nfs/dbraw/zinc/31/60/37/1024316037.db2.gz AVKXEYUTSYXEES-UHFFFAOYSA-N 1 2 304.341 -0.084 20 30 DBEDLO C=CC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001566654002 1024317470 /nfs/dbraw/zinc/31/74/70/1024317470.db2.gz CYIVDYSQPKHNQA-HNNXBMFYSA-N 1 2 310.442 -0.373 20 30 DBEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H](CC(C)C)C(N)=O)CC1 ZINC001566654299 1024320076 /nfs/dbraw/zinc/32/00/76/1024320076.db2.gz ODGLMLMRDHKOGY-HNNXBMFYSA-N 1 2 322.453 -0.109 20 30 DBEDLO C#CCO[C@H](C)C(=O)NC[C@@H]([NH2+]Cc1nnn(C)n1)C1CC1 ZINC001566708181 1024347459 /nfs/dbraw/zinc/34/74/59/1024347459.db2.gz FYWSEGDIQCNWRX-ZYHUDNBSSA-N 1 2 306.370 -0.767 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001566916143 1024415620 /nfs/dbraw/zinc/41/56/20/1024415620.db2.gz HHIXRIZTASWUDG-ZIAGYGMSSA-N 1 2 307.394 -0.115 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001566916143 1024415639 /nfs/dbraw/zinc/41/56/39/1024415639.db2.gz HHIXRIZTASWUDG-ZIAGYGMSSA-N 1 2 307.394 -0.115 20 30 DBEDLO CC(C)C#CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NC(N)=O ZINC001566920716 1024417614 /nfs/dbraw/zinc/41/76/14/1024417614.db2.gz YOFZIWAKPAVHJH-LBPRGKRZSA-N 1 2 308.382 -0.189 20 30 DBEDLO CC(C)C#CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NC(N)=O ZINC001566920716 1024417667 /nfs/dbraw/zinc/41/76/67/1024417667.db2.gz YOFZIWAKPAVHJH-LBPRGKRZSA-N 1 2 308.382 -0.189 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cccn1 ZINC001566914691 1024421791 /nfs/dbraw/zinc/42/17/91/1024421791.db2.gz DRIFAZOPLWUXRA-CYBMUJFWSA-N 1 2 318.381 -0.506 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cccn1 ZINC001566914691 1024421807 /nfs/dbraw/zinc/42/18/07/1024421807.db2.gz DRIFAZOPLWUXRA-CYBMUJFWSA-N 1 2 318.381 -0.506 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001567282369 1024606403 /nfs/dbraw/zinc/60/64/03/1024606403.db2.gz YLMFCOYGHAINMF-LSDHHAIUSA-N 1 2 314.389 -0.018 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001567282369 1024606413 /nfs/dbraw/zinc/60/64/13/1024606413.db2.gz YLMFCOYGHAINMF-LSDHHAIUSA-N 1 2 314.389 -0.018 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ccnc2ccnn21 ZINC001567285598 1024608108 /nfs/dbraw/zinc/60/81/08/1024608108.db2.gz MBPFCNGLNDSMJN-UHFFFAOYSA-N 1 2 314.349 -0.860 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccnc2ccnn21 ZINC001567285598 1024608112 /nfs/dbraw/zinc/60/81/12/1024608112.db2.gz MBPFCNGLNDSMJN-UHFFFAOYSA-N 1 2 314.349 -0.860 20 30 DBEDLO CC(C)n1ccc(CC(=O)NCC[N@H+](C)CC(=O)NCC#N)n1 ZINC001567294530 1024609438 /nfs/dbraw/zinc/60/94/38/1024609438.db2.gz XPYSKISHOJJHGD-UHFFFAOYSA-N 1 2 320.397 -0.306 20 30 DBEDLO CC(C)n1ccc(CC(=O)NCC[N@@H+](C)CC(=O)NCC#N)n1 ZINC001567294530 1024609451 /nfs/dbraw/zinc/60/94/51/1024609451.db2.gz XPYSKISHOJJHGD-UHFFFAOYSA-N 1 2 320.397 -0.306 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001567289688 1024612109 /nfs/dbraw/zinc/61/21/09/1024612109.db2.gz TVWMJIRBUIDARD-CYBMUJFWSA-N 1 2 317.393 -0.757 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001567289688 1024612120 /nfs/dbraw/zinc/61/21/20/1024612120.db2.gz TVWMJIRBUIDARD-CYBMUJFWSA-N 1 2 317.393 -0.757 20 30 DBEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ncnc2[nH]ccc21 ZINC001567291050 1024613737 /nfs/dbraw/zinc/61/37/37/1024613737.db2.gz UKIQWBFIBSVVQG-UHFFFAOYSA-N 1 2 316.365 -0.127 20 30 DBEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ncnc2[nH]ccc21 ZINC001567291050 1024613741 /nfs/dbraw/zinc/61/37/41/1024613741.db2.gz UKIQWBFIBSVVQG-UHFFFAOYSA-N 1 2 316.365 -0.127 20 30 DBEDLO CC(C)N1C(=O)CC[C@H]1C(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001567299711 1024617627 /nfs/dbraw/zinc/61/76/27/1024617627.db2.gz NAZKSGGTUDUJMP-LBPRGKRZSA-N 1 2 323.397 -0.926 20 30 DBEDLO CC(C)N1C(=O)CC[C@H]1C(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001567299711 1024617642 /nfs/dbraw/zinc/61/76/42/1024617642.db2.gz NAZKSGGTUDUJMP-LBPRGKRZSA-N 1 2 323.397 -0.926 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)C1(CC)CCOCC1 ZINC001567312435 1024624003 /nfs/dbraw/zinc/62/40/03/1024624003.db2.gz XOITZYRSRJDZJO-UHFFFAOYSA-N 1 2 309.410 -0.009 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)C1(CC)CCOCC1 ZINC001567312435 1024624009 /nfs/dbraw/zinc/62/40/09/1024624009.db2.gz XOITZYRSRJDZJO-UHFFFAOYSA-N 1 2 309.410 -0.009 20 30 DBEDLO C[N@H+](CCNC(=O)[C@H]1Cc2cccnc2C1)CC(=O)NCC#N ZINC001567315812 1024630317 /nfs/dbraw/zinc/63/03/17/1024630317.db2.gz AEBDTFFQIBTWFJ-ZDUSSCGKSA-N 1 2 315.377 -0.516 20 30 DBEDLO C[N@@H+](CCNC(=O)[C@H]1Cc2cccnc2C1)CC(=O)NCC#N ZINC001567315812 1024630335 /nfs/dbraw/zinc/63/03/35/1024630335.db2.gz AEBDTFFQIBTWFJ-ZDUSSCGKSA-N 1 2 315.377 -0.516 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)C1=NC(=O)N(C)C1 ZINC001567344068 1024644694 /nfs/dbraw/zinc/64/46/94/1024644694.db2.gz SADGKPFHHAKCHS-NSHDSACASA-N 1 2 323.397 -0.132 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)C1=NC(=O)N(C)C1 ZINC001567344068 1024644713 /nfs/dbraw/zinc/64/47/13/1024644713.db2.gz SADGKPFHHAKCHS-NSHDSACASA-N 1 2 323.397 -0.132 20 30 DBEDLO CO[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC(=O)NCC#N)C1CC1 ZINC001567363687 1024647264 /nfs/dbraw/zinc/64/72/64/1024647264.db2.gz XRSSAQXNEVKAFM-OCCSQVGLSA-N 1 2 308.382 -0.368 20 30 DBEDLO CO[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC(=O)NCC#N)C1CC1 ZINC001567363687 1024647272 /nfs/dbraw/zinc/64/72/72/1024647272.db2.gz XRSSAQXNEVKAFM-OCCSQVGLSA-N 1 2 308.382 -0.368 20 30 DBEDLO C#CC[N@H+]1CC[C@H](CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001567415215 1024682295 /nfs/dbraw/zinc/68/22/95/1024682295.db2.gz LXFWMFAEHMXKTP-LLVKDONJSA-N 1 2 314.349 -0.858 20 30 DBEDLO C#CC[N@@H+]1CC[C@H](CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001567415215 1024682308 /nfs/dbraw/zinc/68/23/08/1024682308.db2.gz LXFWMFAEHMXKTP-LLVKDONJSA-N 1 2 314.349 -0.858 20 30 DBEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC001567669467 1024809999 /nfs/dbraw/zinc/80/99/99/1024809999.db2.gz KLLVMXIOPMVZSN-OKILXGFUSA-N 1 2 307.394 -0.210 20 30 DBEDLO C#CCOCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC001567669467 1024810001 /nfs/dbraw/zinc/81/00/01/1024810001.db2.gz KLLVMXIOPMVZSN-OKILXGFUSA-N 1 2 307.394 -0.210 20 30 DBEDLO CN(CC[NH+]1CCN(CC#N)CC1)C(=O)COC[C@H]1CCCO1 ZINC001567721042 1024813855 /nfs/dbraw/zinc/81/38/55/1024813855.db2.gz TXZWDISNQKDILY-OAHLLOKOSA-N 1 2 324.425 -0.218 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001567762708 1024818214 /nfs/dbraw/zinc/81/82/14/1024818214.db2.gz GNNWBNXFULJHOY-GFCCVEGCSA-N 1 2 321.381 -0.197 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)Cc2nnc(C)o2)C1 ZINC001567762708 1024818215 /nfs/dbraw/zinc/81/82/15/1024818215.db2.gz GNNWBNXFULJHOY-GFCCVEGCSA-N 1 2 321.381 -0.197 20 30 DBEDLO C#CCOCCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC001567763119 1024818695 /nfs/dbraw/zinc/81/86/95/1024818695.db2.gz FXVRYNYKVWXWQM-GFCCVEGCSA-N 1 2 324.381 -0.938 20 30 DBEDLO C#CCOCCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC)C1 ZINC001567763119 1024818697 /nfs/dbraw/zinc/81/86/97/1024818697.db2.gz FXVRYNYKVWXWQM-GFCCVEGCSA-N 1 2 324.381 -0.938 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)Cc2ccc(C)o2)C1 ZINC001567826837 1024828982 /nfs/dbraw/zinc/82/89/82/1024828982.db2.gz ICCQRGKCYTXDEL-UHFFFAOYSA-N 1 2 303.362 -0.072 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2cnn(CC)c2)C1 ZINC001567825842 1024829244 /nfs/dbraw/zinc/82/92/44/1024829244.db2.gz CDQVVQLWAXYRJY-GFCCVEGCSA-N 1 2 317.393 -0.298 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2ocnc2C)C1 ZINC001567826488 1024829383 /nfs/dbraw/zinc/82/93/83/1024829383.db2.gz YUHDEHHODOVGHD-LLVKDONJSA-N 1 2 304.350 -0.217 20 30 DBEDLO C=C1CCC(C(=O)NCC2C[NH+](CC(=O)NC(N)=O)C2)CC1 ZINC001567839985 1024832064 /nfs/dbraw/zinc/83/20/64/1024832064.db2.gz CTODNZXJFVYJPS-UHFFFAOYSA-N 1 2 308.382 -0.024 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2nc(CC)oc2C)C1 ZINC001567843742 1024833089 /nfs/dbraw/zinc/83/30/89/1024833089.db2.gz QVJDWENQJOPXQY-UHFFFAOYSA-N 1 2 318.377 -0.044 20 30 DBEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC[C@@H]2NC(=O)NC2=O)C1 ZINC001567847722 1024833118 /nfs/dbraw/zinc/83/31/18/1024833118.db2.gz UGMBUIAHBYYLNH-JTQLQIEISA-N 1 2 314.773 -0.225 20 30 DBEDLO C=C(Cl)C[NH+]1CC(CNC(=O)CC[C@H]2NC(=O)NC2=O)C1 ZINC001567847723 1024833580 /nfs/dbraw/zinc/83/35/80/1024833580.db2.gz UGMBUIAHBYYLNH-SNVBAGLBSA-N 1 2 314.773 -0.225 20 30 DBEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn(C)n1 ZINC001567862683 1024836470 /nfs/dbraw/zinc/83/64/70/1024836470.db2.gz MSNPNKIQKJKBCG-GJZGRUSLSA-N 1 2 317.393 -0.317 20 30 DBEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1cnn(C)n1 ZINC001567862683 1024836471 /nfs/dbraw/zinc/83/64/71/1024836471.db2.gz MSNPNKIQKJKBCG-GJZGRUSLSA-N 1 2 317.393 -0.317 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC001567896464 1024840731 /nfs/dbraw/zinc/84/07/31/1024840731.db2.gz JNGWNUMTSNEQID-LLVKDONJSA-N 1 2 324.772 -0.633 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2cc(Cl)cn2)C1 ZINC001567896464 1024840733 /nfs/dbraw/zinc/84/07/33/1024840733.db2.gz JNGWNUMTSNEQID-LLVKDONJSA-N 1 2 324.772 -0.633 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)COC)C1 ZINC001567893633 1024841518 /nfs/dbraw/zinc/84/15/18/1024841518.db2.gz ATBOGWGUHZEHHK-CYBMUJFWSA-N 1 2 309.410 -0.011 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)COC)C1 ZINC001567893633 1024841520 /nfs/dbraw/zinc/84/15/20/1024841520.db2.gz ATBOGWGUHZEHHK-CYBMUJFWSA-N 1 2 309.410 -0.011 20 30 DBEDLO CN(C(=O)COC(C)(C)C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001567909039 1024843730 /nfs/dbraw/zinc/84/37/30/1024843730.db2.gz WRWUDDHZQYJLJY-LBPRGKRZSA-N 1 2 310.398 -0.026 20 30 DBEDLO CN(C(=O)COC(C)(C)C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001567909039 1024843732 /nfs/dbraw/zinc/84/37/32/1024843732.db2.gz WRWUDDHZQYJLJY-LBPRGKRZSA-N 1 2 310.398 -0.026 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cocn2)C1 ZINC001567905900 1024843773 /nfs/dbraw/zinc/84/37/73/1024843773.db2.gz GATGQWQLLYVEMT-RYUDHWBXSA-N 1 2 304.350 -0.041 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cocn2)C1 ZINC001567905900 1024843774 /nfs/dbraw/zinc/84/37/74/1024843774.db2.gz GATGQWQLLYVEMT-RYUDHWBXSA-N 1 2 304.350 -0.041 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H](OC)C2CC2)C1 ZINC001567911326 1024843827 /nfs/dbraw/zinc/84/38/27/1024843827.db2.gz NQSUUIHYJHFRNU-UKRRQHHQSA-N 1 2 307.394 -0.307 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](OC)C2CC2)C1 ZINC001567911326 1024843828 /nfs/dbraw/zinc/84/38/28/1024843828.db2.gz NQSUUIHYJHFRNU-UKRRQHHQSA-N 1 2 307.394 -0.307 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cocn2)C1 ZINC001567905902 1024844518 /nfs/dbraw/zinc/84/45/18/1024844518.db2.gz GATGQWQLLYVEMT-VXGBXAGGSA-N 1 2 304.350 -0.041 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cocn2)C1 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/nfs/dbraw/zinc/43/03/97/827430397.db2.gz ZAOSGEXXIOXHDL-KFWWJZLASA-N 1 2 315.377 -0.048 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC)NC(C)=O)C2)nn1 ZINC001105333183 827430596 /nfs/dbraw/zinc/43/05/96/827430596.db2.gz GSUGAWQHELQZFB-AWEZNQCLSA-N 1 2 318.381 -0.701 20 30 DBEDLO C=CCC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105335367 827431532 /nfs/dbraw/zinc/43/15/32/827431532.db2.gz YEKUOEBQPUKHGG-UHFFFAOYSA-N 1 2 320.397 -0.161 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[C@]34CCOC4)C2)nn1 ZINC001105357884 827438095 /nfs/dbraw/zinc/43/80/95/827438095.db2.gz MKTDBFARNYEUGY-ZBFHGGJFSA-N 1 2 315.377 -0.189 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COCCOCC)C2)nn1 ZINC001105378343 827442952 /nfs/dbraw/zinc/44/29/52/827442952.db2.gz AQEIDJJNKSQHOC-UHFFFAOYSA-N 1 2 321.381 -0.563 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)OCC=C)C2)nn1 ZINC001105381354 827443273 /nfs/dbraw/zinc/44/32/73/827443273.db2.gz XWOKARBIDSWWJM-GFCCVEGCSA-N 1 2 303.366 -0.025 20 30 DBEDLO N#Cc1nccnc1NC[C@@H](O)CNC(=O)CCc1[nH]cc[nH+]1 ZINC001105804465 827513093 /nfs/dbraw/zinc/51/30/93/827513093.db2.gz RTIKWJNQRDSZON-JTQLQIEISA-N 1 2 315.337 -0.407 20 30 DBEDLO C[C@H](CNC(=O)CSCC#N)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001275775143 833208422 /nfs/dbraw/zinc/20/84/22/833208422.db2.gz UWRRKQXFHDJLAH-SECBINFHSA-N 1 2 312.399 -0.698 20 30 DBEDLO C[C@H](CNC(=O)CSCC#N)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001275775143 833208431 /nfs/dbraw/zinc/20/84/31/833208431.db2.gz UWRRKQXFHDJLAH-SECBINFHSA-N 1 2 312.399 -0.698 20 30 DBEDLO CC(C)C#CC(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105811514 827517220 /nfs/dbraw/zinc/51/72/20/827517220.db2.gz CKKBGJZKUXCKOC-LLVKDONJSA-N 1 2 316.365 -0.088 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ncccc1O ZINC001275812171 833210877 /nfs/dbraw/zinc/21/08/77/833210877.db2.gz VPMXQAJIQMICES-NWDGAFQWSA-N 1 2 318.377 -0.025 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1ncccc1O ZINC001275812171 833210883 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N#Cc1cncc(NC[C@H](O)CNC(=O)CCn2cc[nH+]c2)n1 ZINC001106037971 827595563 /nfs/dbraw/zinc/59/55/63/827595563.db2.gz HRZPFPWOGLOBFI-LBPRGKRZSA-N 1 2 315.337 -0.476 20 30 DBEDLO N#Cc1cnccc1NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001106130274 827625917 /nfs/dbraw/zinc/62/59/17/827625917.db2.gz SJHDMIAZEVJUPZ-GFCCVEGCSA-N 1 2 300.322 -0.770 20 30 DBEDLO N#Cc1cncc(NC[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001106130294 827626068 /nfs/dbraw/zinc/62/60/68/827626068.db2.gz SYTWDJKNYXLOBM-LLVKDONJSA-N 1 2 301.310 -0.797 20 30 DBEDLO Cc1cc(C#N)nc(NC[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001106130852 827627215 /nfs/dbraw/zinc/62/72/15/827627215.db2.gz YEKWUSXEBXDHFO-GFCCVEGCSA-N 1 2 315.337 -0.489 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)NC(C)=O)nn2)C1 ZINC001107120058 827705157 /nfs/dbraw/zinc/70/51/57/827705157.db2.gz TWOQTNRXQRAPSS-NSHDSACASA-N 1 2 318.381 -0.701 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cn3cnnn3)nn2)C1 ZINC001107125243 827706893 /nfs/dbraw/zinc/70/68/93/827706893.db2.gz 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/nfs/dbraw/zinc/73/48/46/827734846.db2.gz PLZDRASWFSTNPF-LBPRGKRZSA-N 1 2 323.397 -0.012 20 30 DBEDLO C=CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107241226 827734927 /nfs/dbraw/zinc/73/49/27/827734927.db2.gz PFEYGLGVOWLCSQ-LLVKDONJSA-N 1 2 309.370 -0.666 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CCCC(N)=O)nn2)C1 ZINC001107242784 827735146 /nfs/dbraw/zinc/73/51/46/827735146.db2.gz YKIDVLQNIJQQRL-UHFFFAOYSA-N 1 2 318.381 -0.570 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CN2CCCC2=O)C1 ZINC001107729027 827780789 /nfs/dbraw/zinc/78/07/89/827780789.db2.gz CYQGBQNGMBRARR-MRXNPFEDSA-N 1 2 307.394 -0.161 20 30 DBEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CN2CCCC2=O)C1 ZINC001107729027 827780791 /nfs/dbraw/zinc/78/07/91/827780791.db2.gz CYQGBQNGMBRARR-MRXNPFEDSA-N 1 2 307.394 -0.161 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@@]1(C)C[N@H+](CCN2CCCC2=O)CCO1 ZINC001107821041 827804052 /nfs/dbraw/zinc/80/40/52/827804052.db2.gz IBUYVGJCVHWSBD-BBRMVZONSA-N 1 2 322.409 -0.024 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@@]1(C)C[N@@H+](CCN2CCCC2=O)CCO1 ZINC001107821041 827804063 /nfs/dbraw/zinc/80/40/63/827804063.db2.gz IBUYVGJCVHWSBD-BBRMVZONSA-N 1 2 322.409 -0.024 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001107864226 827817922 /nfs/dbraw/zinc/81/79/22/827817922.db2.gz PKTROKILSYGPIN-CZUORRHYSA-N 1 2 307.394 -0.257 20 30 DBEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H]2CCNC(=O)C2)C1 ZINC001107864226 827817928 /nfs/dbraw/zinc/81/79/28/827817928.db2.gz PKTROKILSYGPIN-CZUORRHYSA-N 1 2 307.394 -0.257 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107886578 827824080 /nfs/dbraw/zinc/82/40/80/827824080.db2.gz MDMLZVPCWXJOSA-CQSZACIVSA-N 1 2 307.354 -0.786 20 30 DBEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107886578 827824086 /nfs/dbraw/zinc/82/40/86/827824086.db2.gz MDMLZVPCWXJOSA-CQSZACIVSA-N 1 2 307.354 -0.786 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CN(C)S(C)(=O)=O)C1 ZINC001107979314 827855556 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C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CN(C)C(=O)COC)C1 ZINC001107979529 827857042 /nfs/dbraw/zinc/85/70/42/827857042.db2.gz IBXQLXPHZOHBCU-OAHLLOKOSA-N 1 2 313.398 -0.516 20 30 DBEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CN(C)C(=O)COC)C1 ZINC001107979529 827857047 /nfs/dbraw/zinc/85/70/47/827857047.db2.gz IBXQLXPHZOHBCU-OAHLLOKOSA-N 1 2 313.398 -0.516 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001107983322 827857803 /nfs/dbraw/zinc/85/78/03/827857803.db2.gz ISFZPVZTQRAYBK-CJNGLKHVSA-N 1 2 307.394 -0.305 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CC(=O)N(C)C2)C1 ZINC001107983322 827857808 /nfs/dbraw/zinc/85/78/08/827857808.db2.gz ISFZPVZTQRAYBK-CJNGLKHVSA-N 1 2 307.394 -0.305 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CN2CCOCC2=O)C1 ZINC001107997016 827863307 /nfs/dbraw/zinc/86/33/07/827863307.db2.gz OCFXCYUVIQARDB-HNNXBMFYSA-N 1 2 311.382 -0.762 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CN2CCOCC2=O)C1 ZINC001107997016 827863323 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N#CCNC[C@@H](O)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001497041785 1017217717 /nfs/dbraw/zinc/21/77/17/1017217717.db2.gz SYQLVHACIUEYTM-ZIAGYGMSSA-N 1 2 310.398 -0.780 20 30 DBEDLO Cn1nnnc1C[NH2+]C/C=C\CNC(=O)c1ccc(C#N)[nH]1 ZINC001497563322 1017422422 /nfs/dbraw/zinc/42/24/22/1017422422.db2.gz QHHCVWVIVZVXER-IHWYPQMZSA-N 1 2 300.326 -0.514 20 30 DBEDLO Cn1nnnc1C[NH2+]C/C=C/CNC(=O)c1ccc(C#N)[nH]1 ZINC001497563323 1017423790 /nfs/dbraw/zinc/42/37/90/1017423790.db2.gz QHHCVWVIVZVXER-NSCUHMNNSA-N 1 2 300.326 -0.514 20 30 DBEDLO C#CCO[C@H](C)C(=O)NC1CN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001498184377 1017667553 /nfs/dbraw/zinc/66/75/53/1017667553.db2.gz GDQNRDOVEUJLEC-LLVKDONJSA-N 1 2 304.350 -0.292 20 30 DBEDLO C#CCO[C@H](C)C(=O)NC1CN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001498184377 1017667560 /nfs/dbraw/zinc/66/75/60/1017667560.db2.gz GDQNRDOVEUJLEC-LLVKDONJSA-N 1 2 304.350 -0.292 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NCC1CN(C(=O)C#CC2CC2)C1 ZINC001498625576 1017840090 /nfs/dbraw/zinc/84/00/90/1017840090.db2.gz KXDSZCCKXVJJJX-UHFFFAOYSA-N 1 2 300.362 -0.049 20 30 DBEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H]2CNC(=O)CNC(=O)CC)C1=O ZINC001498948797 1017888583 /nfs/dbraw/zinc/88/85/83/1017888583.db2.gz XMUFWHAKEFNQHA-OLZOCXBDSA-N 1 2 322.409 -0.510 20 30 DBEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]2CNC(=O)CNC(=O)CC)C1=O ZINC001498948797 1017888586 /nfs/dbraw/zinc/88/85/86/1017888586.db2.gz XMUFWHAKEFNQHA-OLZOCXBDSA-N 1 2 322.409 -0.510 20 30 DBEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001499047841 1017941920 /nfs/dbraw/zinc/94/19/20/1017941920.db2.gz MGMAOMWOULLCIN-MNOVXSKESA-N 1 2 319.365 -0.735 20 30 DBEDLO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1c[nH]c(=O)cn1 ZINC001499047841 1017941931 /nfs/dbraw/zinc/94/19/31/1017941931.db2.gz MGMAOMWOULLCIN-MNOVXSKESA-N 1 2 319.365 -0.735 20 30 DBEDLO C[C@@H](CC(=O)NC[C@@H]1CCN1CC(=O)NCC#N)n1cc[nH+]c1 ZINC001499073398 1017958510 /nfs/dbraw/zinc/95/85/10/1017958510.db2.gz ZNMKIGHBZOUMGW-STQMWFEESA-N 1 2 318.381 -0.336 20 30 DBEDLO C#CCN(CC(=O)[O-])C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001602683387 1018045560 /nfs/dbraw/zinc/04/55/60/1018045560.db2.gz CQHXHDWLUZXWPO-ZDUSSCGKSA-N 1 2 322.409 -0.116 20 30 DBEDLO C#CCN(CC(=O)[O-])C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001602683387 1018045573 /nfs/dbraw/zinc/04/55/73/1018045573.db2.gz CQHXHDWLUZXWPO-ZDUSSCGKSA-N 1 2 322.409 -0.116 20 30 DBEDLO C#CCN(C(=O)CC(N)=O)C1CC[NH+](Cc2ncccn2)CC1 ZINC001500032291 1018230501 /nfs/dbraw/zinc/23/05/01/1018230501.db2.gz AHQGKUUJYUXRAH-UHFFFAOYSA-N 1 2 315.377 -0.222 20 30 DBEDLO C[C@@]1(NC(=O)CC2OCCCO2)CC[N@H+](CC(=O)NCC#N)C1 ZINC001500213236 1018274975 /nfs/dbraw/zinc/27/49/75/1018274975.db2.gz RPFQHSIULHIIJD-OAHLLOKOSA-N 1 2 324.381 -0.640 20 30 DBEDLO C[C@@]1(NC(=O)CC2OCCCO2)CC[N@@H+](CC(=O)NCC#N)C1 ZINC001500213236 1018274988 /nfs/dbraw/zinc/27/49/88/1018274988.db2.gz RPFQHSIULHIIJD-OAHLLOKOSA-N 1 2 324.381 -0.640 20 30 DBEDLO C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(O)C[NH+](CCCF)C1 ZINC001500941551 1018522977 /nfs/dbraw/zinc/52/29/77/1018522977.db2.gz JJGULDFXPYEEQC-ZDUSSCGKSA-N 1 2 315.389 -0.020 20 30 DBEDLO C=CCOc1cccnc1C(=O)NCC1(O)C[NH+](CCCO)C1 ZINC001500963109 1018529959 /nfs/dbraw/zinc/52/99/59/1018529959.db2.gz XYQKCVLEVKCILZ-UHFFFAOYSA-N 1 2 321.377 -0.195 20 30 DBEDLO C#CCC[NH+]1CC(O)(CNC(=O)[C@H]2CCc3nncn3C2)C1 ZINC001500982452 1018540144 /nfs/dbraw/zinc/54/01/44/1018540144.db2.gz LWGWHOJWOCPJIR-LBPRGKRZSA-N 1 2 303.366 -0.973 20 30 DBEDLO C#CCO[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)C[C@@H]2C1 ZINC001501219824 1018599624 /nfs/dbraw/zinc/59/96/24/1018599624.db2.gz YFMLNKGFQQUXFW-MCIONIFRSA-N 1 2 317.393 -0.256 20 30 DBEDLO C#CCO[C@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)C[C@@H]2C1 ZINC001501219824 1018599640 /nfs/dbraw/zinc/59/96/40/1018599640.db2.gz YFMLNKGFQQUXFW-MCIONIFRSA-N 1 2 317.393 -0.256 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](CO)(NC(=O)C(C)C)C1 ZINC001501300992 1018626724 /nfs/dbraw/zinc/62/67/24/1018626724.db2.gz WODWAPQDVOUZHR-XJKSGUPXSA-N 1 2 309.410 -0.277 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@](CO)(NC(=O)C(C)C)C1 ZINC001501300992 1018626745 /nfs/dbraw/zinc/62/67/45/1018626745.db2.gz WODWAPQDVOUZHR-XJKSGUPXSA-N 1 2 309.410 -0.277 20 30 DBEDLO C=CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001501330553 1018639322 /nfs/dbraw/zinc/63/93/22/1018639322.db2.gz AHDVEPLGYCPUEP-OCCSQVGLSA-N 1 2 318.439 -0.061 20 30 DBEDLO C=CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H](C)S(C)(=O)=O)C1 ZINC001501330553 1018639332 /nfs/dbraw/zinc/63/93/32/1018639332.db2.gz AHDVEPLGYCPUEP-OCCSQVGLSA-N 1 2 318.439 -0.061 20 30 DBEDLO C#CCC[N@H+]1CCOC[C@H]1CNC(=O)CN(C)C(=O)C1CC1 ZINC001501782938 1018875319 /nfs/dbraw/zinc/87/53/19/1018875319.db2.gz BGDGYDPDZBTVSR-CQSZACIVSA-N 1 2 307.394 -0.305 20 30 DBEDLO C#CCC[N@@H+]1CCOC[C@H]1CNC(=O)CN(C)C(=O)C1CC1 ZINC001501782938 1018875320 /nfs/dbraw/zinc/87/53/20/1018875320.db2.gz BGDGYDPDZBTVSR-CQSZACIVSA-N 1 2 307.394 -0.305 20 30 DBEDLO C#CCNC(=O)[C@H](C)N1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC001502097087 1018994316 /nfs/dbraw/zinc/99/43/16/1018994316.db2.gz GUOLFNNIPLSURH-ZFWWWQNUSA-N 1 2 306.410 -0.637 20 30 DBEDLO CC(C)C#CC(=O)N1CCC[C@@](CO)([NH2+]Cc2cnn(C)n2)C1 ZINC001502567309 1019091946 /nfs/dbraw/zinc/09/19/46/1019091946.db2.gz BSIHRQRQUFLJFM-MRXNPFEDSA-N 1 2 319.409 -0.082 20 30 DBEDLO C[C@H](Cn1c(N)nc(-c2nn[nH]n2)c1C#N)C[NH+]1CCOCC1 ZINC001574832300 1019265365 /nfs/dbraw/zinc/26/53/65/1019265365.db2.gz RTRLSRRWCIDQEV-VIFPVBQESA-N 1 2 317.357 -0.515 20 30 DBEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NCc1cn[nH]n1 ZINC001575179092 1019462708 /nfs/dbraw/zinc/46/27/08/1019462708.db2.gz SLZUPKBOVJAKSY-UWVGGRQHSA-N 1 2 307.358 -0.983 20 30 DBEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NCc1cn[nH]n1 ZINC001575179092 1019462724 /nfs/dbraw/zinc/46/27/24/1019462724.db2.gz SLZUPKBOVJAKSY-UWVGGRQHSA-N 1 2 307.358 -0.983 20 30 DBEDLO C[C@@H](C#N)C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NCc1c[nH]nn1 ZINC001575179092 1019462744 /nfs/dbraw/zinc/46/27/44/1019462744.db2.gz SLZUPKBOVJAKSY-UWVGGRQHSA-N 1 2 307.358 -0.983 20 30 DBEDLO C[C@@H](C#N)C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NCc1c[nH]nn1 ZINC001575179092 1019462753 /nfs/dbraw/zinc/46/27/53/1019462753.db2.gz SLZUPKBOVJAKSY-UWVGGRQHSA-N 1 2 307.358 -0.983 20 30 DBEDLO C[C@@H](C(=O)NCc1cn[nH]n1)[N@H+](C)CCNC(=O)C#CC1CC1 ZINC001575209508 1019474831 /nfs/dbraw/zinc/47/48/31/1019474831.db2.gz FFCPBKOFJFKJTA-NSHDSACASA-N 1 2 318.381 -0.729 20 30 DBEDLO C[C@@H](C(=O)NCc1cn[nH]n1)[N@@H+](C)CCNC(=O)C#CC1CC1 ZINC001575209508 1019474838 /nfs/dbraw/zinc/47/48/38/1019474838.db2.gz FFCPBKOFJFKJTA-NSHDSACASA-N 1 2 318.381 -0.729 20 30 DBEDLO C[C@@H](C(=O)NCc1c[nH]nn1)[N@H+](C)CCNC(=O)C#CC1CC1 ZINC001575209508 1019474854 /nfs/dbraw/zinc/47/48/54/1019474854.db2.gz FFCPBKOFJFKJTA-NSHDSACASA-N 1 2 318.381 -0.729 20 30 DBEDLO C[C@@H](C(=O)NCc1c[nH]nn1)[N@@H+](C)CCNC(=O)C#CC1CC1 ZINC001575209508 1019474862 /nfs/dbraw/zinc/47/48/62/1019474862.db2.gz FFCPBKOFJFKJTA-NSHDSACASA-N 1 2 318.381 -0.729 20 30 DBEDLO C#CCO[C@@H](C)C(=O)N1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001505780049 1019510235 /nfs/dbraw/zinc/51/02/35/1019510235.db2.gz NLWHPQKFMYVUHP-QWHCGFSZSA-N 1 2 304.350 -0.362 20 30 DBEDLO C=C(Cl)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001506015353 1019665021 /nfs/dbraw/zinc/66/50/21/1019665021.db2.gz SYRCUNGLXWIWBP-ONGXEEELSA-N 1 2 318.805 -0.445 20 30 DBEDLO C=C(Cl)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001506015353 1019665028 /nfs/dbraw/zinc/66/50/28/1019665028.db2.gz SYRCUNGLXWIWBP-ONGXEEELSA-N 1 2 318.805 -0.445 20 30 DBEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2cn(CC=C)nn2)C1 ZINC001506130053 1019753291 /nfs/dbraw/zinc/75/32/91/1019753291.db2.gz WOTTZQCTPOUTEF-UHFFFAOYSA-N 1 2 303.366 -0.346 20 30 DBEDLO CC[NH+](CC)CCOCCNc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001612231654 1019771029 /nfs/dbraw/zinc/77/10/29/1019771029.db2.gz YMRBPNVIZYWNDR-UHFFFAOYSA-N 1 2 309.370 -0.284 20 30 DBEDLO C=C(CCC(=O)OC)C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001618545214 1019795393 /nfs/dbraw/zinc/79/53/93/1019795393.db2.gz IMOFVXCVNSFQEE-UHFFFAOYSA-N 1 2 321.381 -0.068 20 30 DBEDLO C#CCO[C@@H](C)C(=O)N1CC(N(C)C(=O)Cn2cc[nH+]c2)C1 ZINC001506301639 1019822037 /nfs/dbraw/zinc/82/20/37/1019822037.db2.gz GBRRMQDYPJEJRD-LBPRGKRZSA-N 1 2 304.350 -0.409 20 30 DBEDLO C#CCOCCC(=O)N1CCCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001576390303 1019845529 /nfs/dbraw/zinc/84/55/29/1019845529.db2.gz HCNAEAHSPXEYJM-UHFFFAOYSA-N 1 2 318.377 -0.016 20 30 DBEDLO C[C@@H](NC(=O)[C@@H]1CCCOC1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001506587762 1019866703 /nfs/dbraw/zinc/86/67/03/1019866703.db2.gz CJEAJKJQNBAAGA-VXGBXAGGSA-N 1 2 308.382 -0.511 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2cc(C)cn2)C1 ZINC001506595487 1019869605 /nfs/dbraw/zinc/86/96/05/1019869605.db2.gz SSWHCOQSMQFMPF-ZDUSSCGKSA-N 1 2 317.393 -0.623 20 30 DBEDLO C[C@@H](NC(=O)[C@@H](C)C#N)C1C[NH+](CC(=O)NC2CCOCC2)C1 ZINC001506599849 1019870103 /nfs/dbraw/zinc/87/01/03/1019870103.db2.gz JSQANTPLBPMRHW-NWDGAFQWSA-N 1 2 322.409 -0.122 20 30 DBEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)CNC(=O)CC)C1 ZINC001506600011 1019870598 /nfs/dbraw/zinc/87/05/98/1019870598.db2.gz KNXHNOPPKOUKGP-NSHDSACASA-N 1 2 310.398 -0.749 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2n[nH]c(C)c2C)C1 ZINC001506601657 1019870814 /nfs/dbraw/zinc/87/08/14/1019870814.db2.gz QTMJKMKSHAOPHY-GFCCVEGCSA-N 1 2 317.393 -0.174 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2ocnc2C)C1 ZINC001506603107 1019870871 /nfs/dbraw/zinc/87/08/71/1019870871.db2.gz CKRYXWFBPMKMMC-JTQLQIEISA-N 1 2 304.350 -0.217 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2cnc(C)[nH]2)C1 ZINC001506598373 1019871291 /nfs/dbraw/zinc/87/12/91/1019871291.db2.gz DHKLBBCKQLYKBD-SNVBAGLBSA-N 1 2 303.366 -0.482 20 30 DBEDLO Cc1nn(C)cc1C(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001506597787 1019871355 /nfs/dbraw/zinc/87/13/55/1019871355.db2.gz BWEDWSWZELFARU-JTQLQIEISA-N 1 2 318.381 -0.582 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C[C@](C)(O)C2CC2)C1 ZINC001506609166 1019873244 /nfs/dbraw/zinc/87/32/44/1019873244.db2.gz HBSSXFAMUWOVME-PXAZEXFGSA-N 1 2 321.421 -0.277 20 30 DBEDLO Cc1ccc(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NCC#N)C2)nn1 ZINC001506611976 1019874206 /nfs/dbraw/zinc/87/42/06/1019874206.db2.gz NEULDDKGYIPHAN-NSHDSACASA-N 1 2 316.365 -0.525 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001506612277 1019874808 /nfs/dbraw/zinc/87/48/08/1019874808.db2.gz ROMIWRNAHKQAHE-NSHDSACASA-N 1 2 316.361 -0.413 20 30 DBEDLO C[C@@H](NC(=O)C1CCC(O)CC1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001506618818 1019875928 /nfs/dbraw/zinc/87/59/28/1019875928.db2.gz MQHJNDLJZNDYEG-LKSINWNRSA-N 1 2 322.409 -0.386 20 30 DBEDLO COC1CC(C(=O)N[C@@H](C)C2C[NH+](CC(=O)NCC#N)C2)C1 ZINC001506628428 1019878284 /nfs/dbraw/zinc/87/82/84/1019878284.db2.gz HZRXEUFICCWAES-ZBOXLXRLSA-N 1 2 308.382 -0.512 20 30 DBEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001506645022 1019881065 /nfs/dbraw/zinc/88/10/65/1019881065.db2.gz OIIPNKHYQFEANI-WCQYABFASA-N 1 2 322.409 -0.654 20 30 DBEDLO C#CC[N@@H+]1CCO[C@]2(CCN(C(=O)CCCCC(N)=O)C2)C1 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-0.206 20 30 DBEDLO CC[C@@H](C(N)=O)[NH+]1CCN(CCCNC(=O)C#CC2CC2)CC1 ZINC001566639668 1024305261 /nfs/dbraw/zinc/30/52/61/1024305261.db2.gz AZJZDSBKWKCQMT-HNNXBMFYSA-N 1 2 320.437 -0.212 20 30 DBEDLO COCC#CC[NH+]1CCN(CCNC(=O)c2conc2C)CC1 ZINC001566651177 1024313876 /nfs/dbraw/zinc/31/38/76/1024313876.db2.gz JMBCRHGLRBUSGI-UHFFFAOYSA-N 1 2 320.393 -0.020 20 30 DBEDLO CC#CCN1CC[NH+](CCNC(=O)[C@@H]2CCCNC2=O)CC1 ZINC001566650030 1024315048 /nfs/dbraw/zinc/31/50/48/1024315048.db2.gz RQDMMAOKUXYQKE-CQSZACIVSA-N 1 2 306.410 -0.730 20 30 DBEDLO COCC#CC[NH+]1CCN(CCNC(=O)c2cnco2)CC1 ZINC001566650642 1024316180 /nfs/dbraw/zinc/31/61/80/1024316180.db2.gz PEGVHXHAFAHGPD-UHFFFAOYSA-N 1 2 306.366 -0.328 20 30 DBEDLO CC(C)C[C@@H](C(N)=O)C(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001566654189 1024320343 /nfs/dbraw/zinc/32/03/43/1024320343.db2.gz KIWTXAIURCHBQX-ZDUSSCGKSA-N 1 2 309.414 -0.609 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(C)nn2C)C1 ZINC001566657057 1024327821 /nfs/dbraw/zinc/32/78/21/1024327821.db2.gz GGCNPEHNBSOOLU-CHWSQXEVSA-N 1 2 317.393 -0.329 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C)nn2C)C1 ZINC001566657057 1024327839 /nfs/dbraw/zinc/32/78/39/1024327839.db2.gz GGCNPEHNBSOOLU-CHWSQXEVSA-N 1 2 317.393 -0.329 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001566659776 1024327867 /nfs/dbraw/zinc/32/78/67/1024327867.db2.gz ICFJSIWZTCXDKW-GFCCVEGCSA-N 1 2 301.350 -0.007 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001566659776 1024327886 /nfs/dbraw/zinc/32/78/86/1024327886.db2.gz ICFJSIWZTCXDKW-GFCCVEGCSA-N 1 2 301.350 -0.007 20 30 DBEDLO Cc1ccncc1CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001566664873 1024331417 /nfs/dbraw/zinc/33/14/17/1024331417.db2.gz COAUORJVCCVNMO-CQSZACIVSA-N 1 2 315.377 -0.237 20 30 DBEDLO Cc1ccncc1CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001566664873 1024331435 /nfs/dbraw/zinc/33/14/35/1024331435.db2.gz COAUORJVCCVNMO-CQSZACIVSA-N 1 2 315.377 -0.237 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2conc2C)C1 ZINC001566672415 1024334810 /nfs/dbraw/zinc/33/48/10/1024334810.db2.gz LQGQXOXKBFBRPA-RYUDHWBXSA-N 1 2 304.350 -0.075 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2conc2C)C1 ZINC001566672415 1024334824 /nfs/dbraw/zinc/33/48/24/1024334824.db2.gz LQGQXOXKBFBRPA-RYUDHWBXSA-N 1 2 304.350 -0.075 20 30 DBEDLO COCC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)cn1 ZINC001566754366 1024358501 /nfs/dbraw/zinc/35/85/01/1024358501.db2.gz GSVZSGGTXKKASX-BETUJISGSA-N 1 2 316.361 -0.292 20 30 DBEDLO COCC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(=O)cn1 ZINC001566754366 1024358517 /nfs/dbraw/zinc/35/85/17/1024358517.db2.gz GSVZSGGTXKKASX-BETUJISGSA-N 1 2 316.361 -0.292 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001566920723 1024418230 /nfs/dbraw/zinc/41/82/30/1024418230.db2.gz YVFYOJHXTBMTNC-GFCCVEGCSA-N 1 2 318.381 -0.851 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001566920723 1024418265 /nfs/dbraw/zinc/41/82/65/1024418265.db2.gz YVFYOJHXTBMTNC-GFCCVEGCSA-N 1 2 318.381 -0.851 20 30 DBEDLO C=CCOCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001566918366 1024419849 /nfs/dbraw/zinc/41/98/49/1024419849.db2.gz PIJACEMGAKXOMX-ZDUSSCGKSA-N 1 2 308.382 -0.201 20 30 DBEDLO C=CCOCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001566918366 1024419881 /nfs/dbraw/zinc/41/98/81/1024419881.db2.gz PIJACEMGAKXOMX-ZDUSSCGKSA-N 1 2 308.382 -0.201 20 30 DBEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001566921305 1024428736 /nfs/dbraw/zinc/42/87/36/1024428736.db2.gz LAEIRQCPCBEGGT-UONOGXRCSA-N 1 2 320.393 -0.365 20 30 DBEDLO C#CCO[C@@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001566921305 1024428742 /nfs/dbraw/zinc/42/87/42/1024428742.db2.gz LAEIRQCPCBEGGT-UONOGXRCSA-N 1 2 320.393 -0.365 20 30 DBEDLO C#CCO[C@H](C)C(=O)NCC[N@H+](C)CC(=O)NCC(F)(F)F ZINC001567281400 1024603310 /nfs/dbraw/zinc/60/33/10/1024603310.db2.gz MCYIPCAWWOGOMU-SNVBAGLBSA-N 1 2 323.315 -0.249 20 30 DBEDLO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)CC(=O)NCC(F)(F)F ZINC001567281400 1024603330 /nfs/dbraw/zinc/60/33/30/1024603330.db2.gz MCYIPCAWWOGOMU-SNVBAGLBSA-N 1 2 323.315 -0.249 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ncn(C(C)(C)C)n1 ZINC001567303250 1024617418 /nfs/dbraw/zinc/61/74/18/1024617418.db2.gz FDCMKBFDMOAWIL-UHFFFAOYSA-N 1 2 320.397 -0.556 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ncn(C(C)(C)C)n1 ZINC001567303250 1024617428 /nfs/dbraw/zinc/61/74/28/1024617428.db2.gz FDCMKBFDMOAWIL-UHFFFAOYSA-N 1 2 320.397 -0.556 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCO[C@H](CC)C1 ZINC001567311038 1024623094 /nfs/dbraw/zinc/62/30/94/1024623094.db2.gz COAAAUPOKDNDMT-ZIAGYGMSSA-N 1 2 309.410 -0.011 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H](CC)C1 ZINC001567311038 1024623111 /nfs/dbraw/zinc/62/31/11/1024623111.db2.gz COAAAUPOKDNDMT-ZIAGYGMSSA-N 1 2 309.410 -0.011 20 30 DBEDLO Cn1cncc1CCC(=O)NCC[N@H+](C)CC(=O)NCC#N ZINC001567316472 1024629494 /nfs/dbraw/zinc/62/94/94/1024629494.db2.gz FDRXRVFVFSJSOM-UHFFFAOYSA-N 1 2 306.370 -0.960 20 30 DBEDLO Cn1cncc1CCC(=O)NCC[N@@H+](C)CC(=O)NCC#N ZINC001567316472 1024629507 /nfs/dbraw/zinc/62/95/07/1024629507.db2.gz FDRXRVFVFSJSOM-UHFFFAOYSA-N 1 2 306.370 -0.960 20 30 DBEDLO CO[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC(=O)NCC#N)C1CC1 ZINC001567363685 1024647906 /nfs/dbraw/zinc/64/79/06/1024647906.db2.gz XRSSAQXNEVKAFM-GXTWGEPZSA-N 1 2 308.382 -0.368 20 30 DBEDLO CO[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC(=O)NCC#N)C1CC1 ZINC001567363685 1024647924 /nfs/dbraw/zinc/64/79/24/1024647924.db2.gz XRSSAQXNEVKAFM-GXTWGEPZSA-N 1 2 308.382 -0.368 20 30 DBEDLO CCC[N@@H+](CC#CCOC)CCNC(=O)CS(C)(=O)=O ZINC001567423213 1024686551 /nfs/dbraw/zinc/68/65/51/1024686551.db2.gz KJPCTFUWFSLADA-UHFFFAOYSA-N 1 2 304.412 -0.491 20 30 DBEDLO CCC[N@H+](CC#CCOC)CCNC(=O)CS(C)(=O)=O ZINC001567423213 1024686578 /nfs/dbraw/zinc/68/65/78/1024686578.db2.gz KJPCTFUWFSLADA-UHFFFAOYSA-N 1 2 304.412 -0.491 20 30 DBEDLO C=CCN1CC[C@H]([NH+]2CCN(CCN(C)C(C)=O)CC2)C1=O ZINC001567715181 1024813879 /nfs/dbraw/zinc/81/38/79/1024813879.db2.gz CEADVCIBEDMEFR-HNNXBMFYSA-N 1 2 308.426 -0.131 20 30 DBEDLO C=CCN1CC[C@H](N2CC[NH+](CCN(C)C(C)=O)CC2)C1=O ZINC001567715181 1024813880 /nfs/dbraw/zinc/81/38/80/1024813880.db2.gz CEADVCIBEDMEFR-HNNXBMFYSA-N 1 2 308.426 -0.131 20 30 DBEDLO CC#CCN1CC[NH+](CCN(C)C(=O)[C@@]2(C)CCNC2=O)CC1 ZINC001567719013 1024813953 /nfs/dbraw/zinc/81/39/53/1024813953.db2.gz GKQJRHHHDXRDAH-KRWDZBQOSA-N 1 2 320.437 -0.388 20 30 DBEDLO C=CCOCC(=O)N(C)CCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001567717032 1024814455 /nfs/dbraw/zinc/81/44/55/1024814455.db2.gz AMRDFFYHVWMXSC-CQSZACIVSA-N 1 2 324.425 -0.847 20 30 DBEDLO C=CCOCC(=O)N(C)CC[NH+]1CCN([C@@H]2CCNC2=O)CC1 ZINC001567717032 1024814457 /nfs/dbraw/zinc/81/44/57/1024814457.db2.gz AMRDFFYHVWMXSC-CQSZACIVSA-N 1 2 324.425 -0.847 20 30 DBEDLO C=CCOCC(=O)N1CC[C@H](C[N@@H+](C)Cc2nnnn2C)C1 ZINC001567726058 1024815473 /nfs/dbraw/zinc/81/54/73/1024815473.db2.gz IIDCFZABUWVICP-GFCCVEGCSA-N 1 2 308.386 -0.307 20 30 DBEDLO C=CCOCC(=O)N1CC[C@H](C[N@H+](C)Cc2nnnn2C)C1 ZINC001567726058 1024815474 /nfs/dbraw/zinc/81/54/74/1024815474.db2.gz IIDCFZABUWVICP-GFCCVEGCSA-N 1 2 308.386 -0.307 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](OC)C2CC2)C1 ZINC001567762610 1024818854 /nfs/dbraw/zinc/81/88/54/1024818854.db2.gz ARWMINDFONPYGY-HIFRSBDPSA-N 1 2 307.394 -0.259 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](OC)C2CC2)C1 ZINC001567762610 1024818857 /nfs/dbraw/zinc/81/88/57/1024818857.db2.gz ARWMINDFONPYGY-HIFRSBDPSA-N 1 2 307.394 -0.259 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H](OC)C(C)C)C1 ZINC001567766670 1024818947 /nfs/dbraw/zinc/81/89/47/1024818947.db2.gz YIUYVOPNPRAEHM-UKRRQHHQSA-N 1 2 309.410 -0.013 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](OC)C(C)C)C1 ZINC001567766670 1024818948 /nfs/dbraw/zinc/81/89/48/1024818948.db2.gz YIUYVOPNPRAEHM-UKRRQHHQSA-N 1 2 309.410 -0.013 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001567765330 1024819075 /nfs/dbraw/zinc/81/90/75/1024819075.db2.gz RSYOWMLJFAKDTO-IUODEOHRSA-N 1 2 313.373 -0.002 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001567765330 1024819077 /nfs/dbraw/zinc/81/90/77/1024819077.db2.gz RSYOWMLJFAKDTO-IUODEOHRSA-N 1 2 313.373 -0.002 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001567764292 1024819164 /nfs/dbraw/zinc/81/91/64/1024819164.db2.gz PJYJXSUFNXHGNG-LLVKDONJSA-N 1 2 319.365 -0.633 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001567764292 1024819166 /nfs/dbraw/zinc/81/91/66/1024819166.db2.gz PJYJXSUFNXHGNG-LLVKDONJSA-N 1 2 319.365 -0.633 20 30 DBEDLO C#CCO[C@H](C)C(=O)NC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001567792513 1024822655 /nfs/dbraw/zinc/82/26/55/1024822655.db2.gz IJSLSDPZIGNUHK-OCCSQVGLSA-N 1 2 306.366 -0.917 20 30 DBEDLO COCC#CCN1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001567797816 1024824148 /nfs/dbraw/zinc/82/41/48/1024824148.db2.gz AWRLKKBABGBUTK-ZDUSSCGKSA-N 1 2 302.378 -0.104 20 30 DBEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ocnc2C)C1 ZINC001567826489 1024828992 /nfs/dbraw/zinc/82/89/92/1024828992.db2.gz YUHDEHHODOVGHD-NSHDSACASA-N 1 2 304.350 -0.217 20 30 DBEDLO C#CCCCCCC(=O)NCC1C[NH+](CC(=O)NC(N)=O)C1 ZINC001567835537 1024830067 /nfs/dbraw/zinc/83/00/67/1024830067.db2.gz ABFYBZNXEZQYAB-UHFFFAOYSA-N 1 2 308.382 -0.187 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)c2ccnn2CCC)C1 ZINC001567831608 1024830075 /nfs/dbraw/zinc/83/00/75/1024830075.db2.gz ZEGBCWUHALJXEX-UHFFFAOYSA-N 1 2 317.393 -0.296 20 30 DBEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cc(OC)ncn2)C1 ZINC001567830744 1024830345 /nfs/dbraw/zinc/83/03/45/1024830345.db2.gz XJLSBRDFYGBJOC-UHFFFAOYSA-N 1 2 319.365 -0.551 20 30 DBEDLO CNC(=O)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC#CCOC ZINC001567854392 1024834879 /nfs/dbraw/zinc/83/48/79/1024834879.db2.gz DULPGVHMXXNOCP-KBPBESRZSA-N 1 2 307.394 -0.162 20 30 DBEDLO CNC(=O)CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC#CCOC ZINC001567854392 1024834880 /nfs/dbraw/zinc/83/48/80/1024834880.db2.gz DULPGVHMXXNOCP-KBPBESRZSA-N 1 2 307.394 -0.162 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C)OCCC=C)C1 ZINC001567870154 1024837558 /nfs/dbraw/zinc/83/75/58/1024837558.db2.gz IQVUCTZNAAVKBZ-KBPBESRZSA-N 1 2 307.394 -0.093 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)OCCC=C)C1 ZINC001567870154 1024837560 /nfs/dbraw/zinc/83/75/60/1024837560.db2.gz IQVUCTZNAAVKBZ-KBPBESRZSA-N 1 2 307.394 -0.093 20 30 DBEDLO Cc1c(CC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)cnn1C ZINC001567873898 1024837710 /nfs/dbraw/zinc/83/77/10/1024837710.db2.gz IITRZSBDNLYXIH-ZDUSSCGKSA-N 1 2 318.381 -0.899 20 30 DBEDLO Cc1c(CC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)cnn1C ZINC001567873898 1024837711 /nfs/dbraw/zinc/83/77/11/1024837711.db2.gz IITRZSBDNLYXIH-ZDUSSCGKSA-N 1 2 318.381 -0.899 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001567884634 1024838580 /nfs/dbraw/zinc/83/85/80/1024838580.db2.gz YBFSFPLFCOZPNF-UONOGXRCSA-N 1 2 322.409 -0.510 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCN2C(C)=O)C1 ZINC001567884634 1024838581 /nfs/dbraw/zinc/83/85/81/1024838581.db2.gz YBFSFPLFCOZPNF-UONOGXRCSA-N 1 2 322.409 -0.510 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2cnccn2)C1 ZINC001567901925 1024841840 /nfs/dbraw/zinc/84/18/40/1024841840.db2.gz VQYVPLWIXQOEEV-LBPRGKRZSA-N 1 2 303.366 -0.075 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2cnccn2)C1 ZINC001567901925 1024841846 /nfs/dbraw/zinc/84/18/46/1024841846.db2.gz VQYVPLWIXQOEEV-LBPRGKRZSA-N 1 2 303.366 -0.075 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccnc(C)n2)C1 ZINC001567900424 1024841892 /nfs/dbraw/zinc/84/18/92/1024841892.db2.gz XGZLSJMXQQHWFL-GFCCVEGCSA-N 1 2 301.350 -0.661 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C)n2)C1 ZINC001567900424 1024841893 /nfs/dbraw/zinc/84/18/93/1024841893.db2.gz XGZLSJMXQQHWFL-GFCCVEGCSA-N 1 2 301.350 -0.661 20 30 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N#CCC[N@H+](CCN1CCOCC1)C[C@H](O)Cn1cccn1 ZINC000081515425 374751084 /nfs/dbraw/zinc/75/10/84/374751084.db2.gz VGZPWRIXVVDSTA-HNNXBMFYSA-N 1 2 307.398 -0.208 20 30 DBEDLO N#CCC[N@@H+](CCN1CCOCC1)C[C@H](O)Cn1cccn1 ZINC000081515425 374751094 /nfs/dbraw/zinc/75/10/94/374751094.db2.gz VGZPWRIXVVDSTA-HNNXBMFYSA-N 1 2 307.398 -0.208 20 30 DBEDLO N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)Cn1cccn1 ZINC000081515425 374751099 /nfs/dbraw/zinc/75/10/99/374751099.db2.gz VGZPWRIXVVDSTA-HNNXBMFYSA-N 1 2 307.398 -0.208 20 30 DBEDLO C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)Cn1cc[nH+]c1 ZINC000264016936 374929452 /nfs/dbraw/zinc/92/94/52/374929452.db2.gz NCQYUYZTPRNSOQ-SNVBAGLBSA-N 1 2 302.338 -0.100 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@](C)(O)C2CC2)CC1 ZINC000286253780 335030935 /nfs/dbraw/zinc/03/09/35/335030935.db2.gz VKCQDTDEFWHBTD-MRXNPFEDSA-N 1 2 307.394 -0.569 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@](C)(O)C2CC2)CC1 ZINC000286253780 335030936 /nfs/dbraw/zinc/03/09/36/335030936.db2.gz VKCQDTDEFWHBTD-MRXNPFEDSA-N 1 2 307.394 -0.569 20 30 DBEDLO N#C[C@@H]1COCCN1S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000408242352 375027228 /nfs/dbraw/zinc/02/72/28/375027228.db2.gz SRUFXVNOFYQJSA-GFCCVEGCSA-N 1 2 303.384 -0.737 20 30 DBEDLO CN(C)[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)c1c[nH+]cn1C ZINC000570813753 375389987 /nfs/dbraw/zinc/38/99/87/375389987.db2.gz KCGUZAKWYXGVGD-CQSZACIVSA-N 1 2 318.381 -0.393 20 30 DBEDLO C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)[C@H]1C[N@H+](C)CCO1 ZINC000589284837 375456057 /nfs/dbraw/zinc/45/60/57/375456057.db2.gz CNLAERXRDICGPO-ZWNOBZJWSA-N 1 2 310.379 -0.049 20 30 DBEDLO C[C@@H](NS(=O)(=O)c1cncc(C#N)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000589284837 375456061 /nfs/dbraw/zinc/45/60/61/375456061.db2.gz CNLAERXRDICGPO-ZWNOBZJWSA-N 1 2 310.379 -0.049 20 30 DBEDLO C[C@@H]1COCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000566204085 375537422 /nfs/dbraw/zinc/53/74/22/375537422.db2.gz GEJAOBRLODVMCE-LLVKDONJSA-N 1 2 317.349 -0.271 20 30 DBEDLO C[C@@H]1COCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000566204085 375537425 /nfs/dbraw/zinc/53/74/25/375537425.db2.gz GEJAOBRLODVMCE-LLVKDONJSA-N 1 2 317.349 -0.271 20 30 DBEDLO N#Cc1cncc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1 ZINC000314000263 375488406 /nfs/dbraw/zinc/48/84/06/375488406.db2.gz DNQVNYKSJVTYSS-UHFFFAOYSA-N 1 2 310.379 -0.358 20 30 DBEDLO N#Cc1cncc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c1 ZINC000314000263 375488407 /nfs/dbraw/zinc/48/84/07/375488407.db2.gz DNQVNYKSJVTYSS-UHFFFAOYSA-N 1 2 310.379 -0.358 20 30 DBEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1CCN1CCNC1=O ZINC000290329736 375499302 /nfs/dbraw/zinc/49/93/02/375499302.db2.gz OUANPBNPUVZENT-GFCCVEGCSA-N 1 2 315.381 -0.116 20 30 DBEDLO C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1CCN1CCNC1=O ZINC000290329736 375499308 /nfs/dbraw/zinc/49/93/08/375499308.db2.gz OUANPBNPUVZENT-GFCCVEGCSA-N 1 2 315.381 -0.116 20 30 DBEDLO Cc1cccc(NC(=O)C(=O)N2CC[NH+](CCO)CC2)c1C#N ZINC000186283765 375569439 /nfs/dbraw/zinc/56/94/39/375569439.db2.gz PISFZSVXUQGLQA-UHFFFAOYSA-N 1 2 316.361 -0.058 20 30 DBEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)NC2CCN(CC#N)CC2)C1 ZINC000601340314 375570873 /nfs/dbraw/zinc/57/08/73/375570873.db2.gz PJEXVCOPEYPRHX-CYBMUJFWSA-N 1 2 316.427 -0.776 20 30 DBEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)NC2CCN(CC#N)CC2)C1 ZINC000601340314 375570878 /nfs/dbraw/zinc/57/08/78/375570878.db2.gz PJEXVCOPEYPRHX-CYBMUJFWSA-N 1 2 316.427 -0.776 20 30 DBEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCSC[C@@H]2C#N)C1 ZINC000601387562 375597708 /nfs/dbraw/zinc/59/77/08/375597708.db2.gz YRBFYNRUXGAGAV-QWRGUYRKSA-N 1 2 305.425 -0.412 20 30 DBEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCSC[C@@H]2C#N)C1 ZINC000601387562 375597711 /nfs/dbraw/zinc/59/77/11/375597711.db2.gz YRBFYNRUXGAGAV-QWRGUYRKSA-N 1 2 305.425 -0.412 20 30 DBEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)C(=O)N1CCCCC1 ZINC000592146853 375781166 /nfs/dbraw/zinc/78/11/66/375781166.db2.gz KXAJWAWIAICXCQ-XJKSGUPXSA-N 1 2 322.409 -0.146 20 30 DBEDLO C[C@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)C(=O)N1CCCCC1 ZINC000592146853 375781172 /nfs/dbraw/zinc/78/11/72/375781172.db2.gz KXAJWAWIAICXCQ-XJKSGUPXSA-N 1 2 322.409 -0.146 20 30 DBEDLO C[C@@H](NC(=O)C[N@@H+]1CC[C@](O)(CC#N)C1)C(=O)N1CCCCC1 ZINC000592146852 375781269 /nfs/dbraw/zinc/78/12/69/375781269.db2.gz KXAJWAWIAICXCQ-CZUORRHYSA-N 1 2 322.409 -0.146 20 30 DBEDLO C[C@@H](NC(=O)C[N@H+]1CC[C@](O)(CC#N)C1)C(=O)N1CCCCC1 ZINC000592146852 375781273 /nfs/dbraw/zinc/78/12/73/375781273.db2.gz KXAJWAWIAICXCQ-CZUORRHYSA-N 1 2 322.409 -0.146 20 30 DBEDLO C[C@H](NC(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1)C(=O)N1CCCCC1 ZINC000592146849 375781711 /nfs/dbraw/zinc/78/17/11/375781711.db2.gz KXAJWAWIAICXCQ-BBRMVZONSA-N 1 2 322.409 -0.146 20 30 DBEDLO C[C@H](NC(=O)C[N@H+]1CC[C@@](O)(CC#N)C1)C(=O)N1CCCCC1 ZINC000592146849 375781718 /nfs/dbraw/zinc/78/17/18/375781718.db2.gz KXAJWAWIAICXCQ-BBRMVZONSA-N 1 2 322.409 -0.146 20 30 DBEDLO CN1CCN(c2cc(N3CC[C@@](O)(CC#N)C3)[nH+]cn2)CC1=O ZINC000591975713 375765866 /nfs/dbraw/zinc/76/58/66/375765866.db2.gz QXHCVPAGLPDEDU-HNNXBMFYSA-N 1 2 316.365 -0.390 20 30 DBEDLO CN1CCN(c2cc(N3CC[C@@](O)(CC#N)C3)nc[nH+]2)CC1=O ZINC000591975713 375765872 /nfs/dbraw/zinc/76/58/72/375765872.db2.gz QXHCVPAGLPDEDU-HNNXBMFYSA-N 1 2 316.365 -0.390 20 30 DBEDLO N#Cc1cnccc1C[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000592069944 375772480 /nfs/dbraw/zinc/77/24/80/375772480.db2.gz BPNCVGVYDBEGJH-LLVKDONJSA-N 1 2 309.395 -0.042 20 30 DBEDLO N#Cc1cnccc1C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000592069944 375772486 /nfs/dbraw/zinc/77/24/86/375772486.db2.gz BPNCVGVYDBEGJH-LLVKDONJSA-N 1 2 309.395 -0.042 20 30 DBEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152127 375779688 /nfs/dbraw/zinc/77/96/88/375779688.db2.gz UHSWIXRVLGFFJS-XHDPSFHLSA-N 1 2 308.382 -0.538 20 30 DBEDLO C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592152127 375779693 /nfs/dbraw/zinc/77/96/93/375779693.db2.gz UHSWIXRVLGFFJS-XHDPSFHLSA-N 1 2 308.382 -0.538 20 30 DBEDLO CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148698 375779910 /nfs/dbraw/zinc/77/99/10/375779910.db2.gz ZMQQEFGJKSJUHR-HNNXBMFYSA-N 1 2 310.398 -0.290 20 30 DBEDLO CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148698 375779913 /nfs/dbraw/zinc/77/99/13/375779913.db2.gz ZMQQEFGJKSJUHR-HNNXBMFYSA-N 1 2 310.398 -0.290 20 30 DBEDLO COCCCS(=O)(=O)NCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150966 375779980 /nfs/dbraw/zinc/77/99/80/375779980.db2.gz LBVCTGQOTPWHRA-LBPRGKRZSA-N 1 2 305.400 -0.707 20 30 DBEDLO COCCCS(=O)(=O)NCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150966 375779983 /nfs/dbraw/zinc/77/99/83/375779983.db2.gz LBVCTGQOTPWHRA-LBPRGKRZSA-N 1 2 305.400 -0.707 20 30 DBEDLO N#CCCN(CC[NH+]1CCOCC1)CC(=O)Nc1cnccn1 ZINC000595333145 376000042 /nfs/dbraw/zinc/00/00/42/376000042.db2.gz MZEMLWVLXSBNHM-UHFFFAOYSA-N 1 2 318.381 -0.037 20 30 DBEDLO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(CCC(=O)OC)C2=O)C1=O ZINC000595472446 376012191 /nfs/dbraw/zinc/01/21/91/376012191.db2.gz HCQAOLHOIGJGAT-QWHCGFSZSA-N 1 2 323.393 -0.131 20 30 DBEDLO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(CCC(=O)OC)C2=O)C1=O ZINC000595472446 376012197 /nfs/dbraw/zinc/01/21/97/376012197.db2.gz HCQAOLHOIGJGAT-QWHCGFSZSA-N 1 2 323.393 -0.131 20 30 DBEDLO Cn1ncc(C#N)c1N1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000596058096 376068097 /nfs/dbraw/zinc/06/80/97/376068097.db2.gz CQWWVHQGYJGYRR-UHFFFAOYSA-N 1 2 318.381 -0.727 20 30 DBEDLO COC(=O)CN(CC[NH+]1CCOCC1)c1cc(C#N)cnn1 ZINC000596184819 376073547 /nfs/dbraw/zinc/07/35/47/376073547.db2.gz JXJPVEQWSYPFSZ-UHFFFAOYSA-N 1 2 305.338 -0.340 20 30 DBEDLO N#CC1(CC(=O)N[C@@H](CO)C[NH+]2CCOCC2)CCOCC1 ZINC000597618906 376151594 /nfs/dbraw/zinc/15/15/94/376151594.db2.gz WRQRUVFEGFDLRX-CYBMUJFWSA-N 1 2 311.382 -0.494 20 30 DBEDLO C=CCOCC[N@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000598640047 376218675 /nfs/dbraw/zinc/21/86/75/376218675.db2.gz SLSMQLGKBUFDMV-QWRGUYRKSA-N 1 2 311.338 -0.643 20 30 DBEDLO C=CCOCC[N@@H+]1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)OC ZINC000598640047 376218681 /nfs/dbraw/zinc/21/86/81/376218681.db2.gz SLSMQLGKBUFDMV-QWRGUYRKSA-N 1 2 311.338 -0.643 20 30 DBEDLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599386230 376289748 /nfs/dbraw/zinc/28/97/48/376289748.db2.gz KGZVGPMGPUOOEL-MJBXVCDLSA-N 1 2 320.345 -0.094 20 30 DBEDLO COC(=O)[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000599386230 376289756 /nfs/dbraw/zinc/28/97/56/376289756.db2.gz KGZVGPMGPUOOEL-MJBXVCDLSA-N 1 2 320.345 -0.094 20 30 DBEDLO C=C(C)C[C@H](NS(=O)(=O)C[C@H]1C[N@H+](C)CCO1)C(=O)OC ZINC000601501293 376364503 /nfs/dbraw/zinc/36/45/03/376364503.db2.gz LWPWYXOBQDWYRK-NEPJUHHUSA-N 1 2 320.411 -0.256 20 30 DBEDLO C=C(C)C[C@H](NS(=O)(=O)C[C@H]1C[N@@H+](C)CCO1)C(=O)OC ZINC000601501293 376364510 /nfs/dbraw/zinc/36/45/10/376364510.db2.gz LWPWYXOBQDWYRK-NEPJUHHUSA-N 1 2 320.411 -0.256 20 30 DBEDLO C[C@H](CCC#N)C[N@@H+]1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000602625676 376465271 /nfs/dbraw/zinc/46/52/71/376465271.db2.gz GHKZLQCSAZGSCI-GFCCVEGCSA-N 1 2 320.397 -0.112 20 30 DBEDLO 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C=CC[N@@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H](O)C1 ZINC001090610548 825762338 /nfs/dbraw/zinc/76/23/38/825762338.db2.gz SIHDLUQEVZMTQL-CHWSQXEVSA-N 1 2 316.423 -0.451 20 30 DBEDLO C=CC[N@H+]1CC[C@@H](NC(=O)C2CCS(=O)(=O)CC2)[C@H](O)C1 ZINC001090610548 825762339 /nfs/dbraw/zinc/76/23/39/825762339.db2.gz SIHDLUQEVZMTQL-CHWSQXEVSA-N 1 2 316.423 -0.451 20 30 DBEDLO C#CCN1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001090732308 825817790 /nfs/dbraw/zinc/81/77/90/825817790.db2.gz BJFKUSSHQKIOKK-UKRRQHHQSA-N 1 2 302.378 -0.054 20 30 DBEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1COC(=O)N1)c1nccn12 ZINC001092366908 826029809 /nfs/dbraw/zinc/02/98/09/826029809.db2.gz XXUMMGAIIPJTST-QWRGUYRKSA-N 1 2 317.349 -0.251 20 30 DBEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1nccn12 ZINC001092409058 826034541 /nfs/dbraw/zinc/03/45/41/826034541.db2.gz GZMDXTQHFNJIEH-RYUDHWBXSA-N 1 2 315.377 -0.080 20 30 DBEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)CC2)C1 ZINC001093560924 826142232 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C=CC[NH+]1CC(n2cc(CNC(=O)c3cc(=O)n(C)o3)nn2)C1 ZINC001094287330 826221059 /nfs/dbraw/zinc/22/10/59/826221059.db2.gz IARSWIUPQWLZBL-UHFFFAOYSA-N 1 2 318.337 -0.458 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 ZINC001094288172 826222370 /nfs/dbraw/zinc/22/23/70/826222370.db2.gz GTLROOGPDHQZQO-UHFFFAOYSA-N 1 2 314.353 -0.783 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3cn[nH]n3)nn2)C1 ZINC001094303952 826225688 /nfs/dbraw/zinc/22/56/88/826225688.db2.gz LGTTUWSNAZHNSI-UHFFFAOYSA-N 1 2 300.326 -0.794 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CNC(=O)N3)nn2)C1 ZINC001094314949 826230202 /nfs/dbraw/zinc/23/02/02/826230202.db2.gz FINNVYOAYQUQRI-LBPRGKRZSA-N 1 2 319.369 -0.992 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3nonc3C)nn2)C1 ZINC001094342050 826235271 /nfs/dbraw/zinc/23/52/71/826235271.db2.gz DXQQXXDOOPWHCV-UHFFFAOYSA-N 1 2 315.337 -0.220 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cnns3)CC2=O)C1 ZINC001094712691 826266415 /nfs/dbraw/zinc/26/64/15/826266415.db2.gz 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C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@]34C[C@H]3COC4)CC2=O)C1 ZINC001094740764 826277695 /nfs/dbraw/zinc/27/76/95/826277695.db2.gz SMKFULIKRHINHP-OZVIIMIRSA-N 1 2 305.378 -0.390 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@]34C[C@H]3COC4)CC2=O)C1 ZINC001094740763 826277845 /nfs/dbraw/zinc/27/78/45/826277845.db2.gz SMKFULIKRHINHP-MKBNYLNASA-N 1 2 305.378 -0.390 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C3CC(OC)C3)CC2=O)C1 ZINC001094750212 826279774 /nfs/dbraw/zinc/27/97/74/826279774.db2.gz YLPWTYZQGGOPKC-LXVYMNJGSA-N 1 2 307.394 -0.001 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCC(=O)N3C)CC2=O)C1 ZINC001094771595 826283609 /nfs/dbraw/zinc/28/36/09/826283609.db2.gz LBOCLXQFSPTZJK-YPMHNXCESA-N 1 2 320.393 -0.806 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCN(C)C3=O)CC2=O)C1 ZINC001094771310 826283801 /nfs/dbraw/zinc/28/38/01/826283801.db2.gz JACUDXDCYAPVKT-YPMHNXCESA-N 1 2 320.393 -0.948 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3[nH]nnc3C)CC2=O)C1 ZINC001094771558 826284030 /nfs/dbraw/zinc/28/40/30/826284030.db2.gz JZRPFKHCZLCHBQ-JTQLQIEISA-N 1 2 304.354 -0.686 20 30 DBEDLO C=C1CC(C)(C(=O)N[C@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094781898 826285611 /nfs/dbraw/zinc/28/56/11/826285611.db2.gz CTMNCVLCIGTAPH-LBPRGKRZSA-N 1 2 307.394 -0.264 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)c3cnon3)CC2=O)C1 ZINC001094798969 826289292 /nfs/dbraw/zinc/28/92/92/826289292.db2.gz DKUYMQDQEZYVRX-JTQLQIEISA-N 1 2 305.338 -0.339 20 30 DBEDLO C#CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cnnn1C)C2 ZINC001274129572 833034899 /nfs/dbraw/zinc/03/48/99/833034899.db2.gz FQTDJKITDPPDMG-OAHLLOKOSA-N 1 2 303.366 -0.501 20 30 DBEDLO C#CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cnnn1C)C2 ZINC001274129572 833034907 /nfs/dbraw/zinc/03/49/07/833034907.db2.gz FQTDJKITDPPDMG-OAHLLOKOSA-N 1 2 303.366 -0.501 20 30 DBEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(N)=O)nn1 ZINC001096126712 826358321 /nfs/dbraw/zinc/35/83/21/826358321.db2.gz IYFXMAJJTHOCLN-DCQANWLSSA-N 1 2 318.381 -0.327 20 30 DBEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(N)=O)nn1 ZINC001096126712 826358326 /nfs/dbraw/zinc/35/83/26/826358326.db2.gz IYFXMAJJTHOCLN-DCQANWLSSA-N 1 2 318.381 -0.327 20 30 DBEDLO CCOCC(=O)NCC[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC001096262794 826365817 /nfs/dbraw/zinc/36/58/17/826365817.db2.gz OFYULDOGFCPKGN-UHFFFAOYSA-N 1 2 318.381 -0.377 20 30 DBEDLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC001096971986 826403870 /nfs/dbraw/zinc/40/38/70/826403870.db2.gz CHPYFOPROXZPJW-UPJWGTAASA-N 1 2 301.350 -0.033 20 30 DBEDLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c[nH]c(C#N)c1)C2 ZINC001096971986 826403872 /nfs/dbraw/zinc/40/38/72/826403872.db2.gz CHPYFOPROXZPJW-UPJWGTAASA-N 1 2 301.350 -0.033 20 30 DBEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(N)=O)nn1 ZINC001097999143 826445013 /nfs/dbraw/zinc/44/50/13/826445013.db2.gz IYFXMAJJTHOCLN-UZWSLXQKSA-N 1 2 318.381 -0.327 20 30 DBEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(N)=O)nn1 ZINC001097999143 826445017 /nfs/dbraw/zinc/44/50/17/826445017.db2.gz IYFXMAJJTHOCLN-UZWSLXQKSA-N 1 2 318.381 -0.327 20 30 DBEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC)nn1 ZINC001097997614 826445383 /nfs/dbraw/zinc/44/53/83/826445383.db2.gz KTYJKWVIZJKHFI-WZRBSPASSA-N 1 2 318.381 -0.455 20 30 DBEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NC)nn1 ZINC001097997614 826445385 /nfs/dbraw/zinc/44/53/85/826445385.db2.gz KTYJKWVIZJKHFI-WZRBSPASSA-N 1 2 318.381 -0.455 20 30 DBEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(C)=O)C2)nn1 ZINC001098588373 826502249 /nfs/dbraw/zinc/50/22/49/826502249.db2.gz KEFMUCFMZHCLIT-CYBMUJFWSA-N 1 2 306.370 -0.537 20 30 DBEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC)C2)nn1 ZINC001098587856 826502959 /nfs/dbraw/zinc/50/29/59/826502959.db2.gz AVHAWMQMXKPMDZ-CYBMUJFWSA-N 1 2 320.397 -0.147 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnccn3)C2)nn1 ZINC001098600453 826505491 /nfs/dbraw/zinc/50/54/91/826505491.db2.gz BCWIEDLGXMWFGO-ZDUSSCGKSA-N 1 2 311.349 -0.122 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3=COCCO3)C2)nn1 ZINC001098608189 826506946 /nfs/dbraw/zinc/50/69/46/826506946.db2.gz PJVZUJUPLUUNSJ-ZDUSSCGKSA-N 1 2 317.349 -0.338 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3COCCO3)C2)nn1 ZINC001098622984 826508921 /nfs/dbraw/zinc/50/89/21/826508921.db2.gz URHJRCUOGSRSCI-KBPBESRZSA-N 1 2 319.365 -0.810 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COCCOC)C2)nn1 ZINC001098634818 826511438 /nfs/dbraw/zinc/51/14/38/826511438.db2.gz XDXCSOBCCOAWQR-CQSZACIVSA-N 1 2 321.381 -0.563 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cc3cc[nH]n3)C2)nn1 ZINC001098641345 826512146 /nfs/dbraw/zinc/51/21/46/826512146.db2.gz RXPSZGGWQIZFOD-CQSZACIVSA-N 1 2 313.365 -0.260 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC(C)(C)O)C2)nn1 ZINC001098663789 826516201 /nfs/dbraw/zinc/51/62/01/826516201.db2.gz JFTFPNPUYQVBSS-ZDUSSCGKSA-N 1 2 305.382 -0.065 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC(C)(C)O)C2)nn1 ZINC001098663786 826516267 /nfs/dbraw/zinc/51/62/67/826516267.db2.gz JFTFPNPUYQVBSS-CYBMUJFWSA-N 1 2 305.382 -0.065 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CCOCC#C)C2)nn1 ZINC001098673193 826517518 /nfs/dbraw/zinc/51/75/18/826517518.db2.gz NHDSFPCEQIFABV-HNNXBMFYSA-N 1 2 315.377 -0.186 20 30 DBEDLO C=C(C)CCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098680404 826518644 /nfs/dbraw/zinc/51/86/44/826518644.db2.gz GIXSYOSVFFENNJ-CYBMUJFWSA-N 1 2 320.397 -0.017 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3csnn3)C2)nn1 ZINC001098694622 826519283 /nfs/dbraw/zinc/51/92/83/826519283.db2.gz FYYKRKFIWYTEKR-NSHDSACASA-N 1 2 317.378 -0.060 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ccnnc3)C2)nn1 ZINC001098740271 826524562 /nfs/dbraw/zinc/52/45/62/826524562.db2.gz NVCYCMNRYOSVQR-AWEZNQCLSA-N 1 2 311.349 -0.122 20 30 DBEDLO N#CCNCc1cn([C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001098738790 826524721 /nfs/dbraw/zinc/52/47/21/826524721.db2.gz AXOFNTBYUNAYFY-CYBMUJFWSA-N 1 2 314.353 -0.370 20 30 DBEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnon3)C2)nn1 ZINC001098751195 826525590 /nfs/dbraw/zinc/52/55/90/826525590.db2.gz JGWHCFBJONWYMO-GFCCVEGCSA-N 1 2 315.337 -0.139 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3ncc[nH]3)C2)nn1 ZINC001098757652 826526727 /nfs/dbraw/zinc/52/67/27/826526727.db2.gz QPACUWIESSAYCE-ZDUSSCGKSA-N 1 2 313.365 -0.260 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@H](O)C1 ZINC001099609651 826576930 /nfs/dbraw/zinc/57/69/30/826576930.db2.gz DAYWOAKARAJVLW-WDEREUQCSA-N 1 2 301.362 -0.412 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@H](O)C1 ZINC001099609651 826576931 /nfs/dbraw/zinc/57/69/31/826576931.db2.gz DAYWOAKARAJVLW-WDEREUQCSA-N 1 2 301.362 -0.412 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC001099618666 826585204 /nfs/dbraw/zinc/58/52/04/826585204.db2.gz XNXMKWCZLHJJJV-JSGCOSHPSA-N 1 2 318.377 -0.451 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccccn2)[C@@H](O)C1 ZINC001099618666 826585209 /nfs/dbraw/zinc/58/52/09/826585209.db2.gz XNXMKWCZLHJJJV-JSGCOSHPSA-N 1 2 318.377 -0.451 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001099618668 826585526 /nfs/dbraw/zinc/58/55/26/826585526.db2.gz XNXMKWCZLHJJJV-TZMCWYRMSA-N 1 2 318.377 -0.451 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccccn2)[C@H](O)C1 ZINC001099618668 826585531 /nfs/dbraw/zinc/58/55/31/826585531.db2.gz XNXMKWCZLHJJJV-TZMCWYRMSA-N 1 2 318.377 -0.451 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001099620094 826585920 /nfs/dbraw/zinc/58/59/20/826585920.db2.gz JBLKQJZTHYLSNG-ZIAGYGMSSA-N 1 2 318.377 -0.451 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccncc2)[C@H](O)C1 ZINC001099620094 826585926 /nfs/dbraw/zinc/58/59/26/826585926.db2.gz JBLKQJZTHYLSNG-ZIAGYGMSSA-N 1 2 318.377 -0.451 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001099622718 826588777 /nfs/dbraw/zinc/58/87/77/826588777.db2.gz CGOTUEDNLNLFRK-CABCVRRESA-N 1 2 321.421 -0.133 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001099622718 826588779 /nfs/dbraw/zinc/58/87/79/826588779.db2.gz CGOTUEDNLNLFRK-CABCVRRESA-N 1 2 321.421 -0.133 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H](O)C1 ZINC001099622721 826589198 /nfs/dbraw/zinc/58/91/98/826589198.db2.gz CGOTUEDNLNLFRK-LSDHHAIUSA-N 1 2 321.421 -0.133 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H](O)C1 ZINC001099622721 826589203 /nfs/dbraw/zinc/58/92/03/826589203.db2.gz CGOTUEDNLNLFRK-LSDHHAIUSA-N 1 2 321.421 -0.133 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccs2)[C@H](O)C1 ZINC001099629824 826591414 /nfs/dbraw/zinc/59/14/14/826591414.db2.gz ICKPSEIPETVKEU-VXGBXAGGSA-N 1 2 321.402 -0.338 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccs2)[C@H](O)C1 ZINC001099629824 826591418 /nfs/dbraw/zinc/59/14/18/826591418.db2.gz ICKPSEIPETVKEU-VXGBXAGGSA-N 1 2 321.402 -0.338 20 30 DBEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)o1 ZINC001099641608 826596252 /nfs/dbraw/zinc/59/62/52/826596252.db2.gz FGNOEDCPZCYWTM-RYUDHWBXSA-N 1 2 320.349 -0.607 20 30 DBEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)o1 ZINC001099641608 826596255 /nfs/dbraw/zinc/59/62/55/826596255.db2.gz FGNOEDCPZCYWTM-RYUDHWBXSA-N 1 2 320.349 -0.607 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001099639184 826596382 /nfs/dbraw/zinc/59/63/82/826596382.db2.gz HVWVODBEODVLGM-KGLIPLIRSA-N 1 2 322.409 -0.242 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001099639184 826596386 /nfs/dbraw/zinc/59/63/86/826596386.db2.gz HVWVODBEODVLGM-KGLIPLIRSA-N 1 2 322.409 -0.242 20 30 DBEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@@H]2O)o1 ZINC001099641606 826596708 /nfs/dbraw/zinc/59/67/08/826596708.db2.gz FGNOEDCPZCYWTM-NEPJUHHUSA-N 1 2 320.349 -0.607 20 30 DBEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@@H]2O)o1 ZINC001099641606 826596709 /nfs/dbraw/zinc/59/67/09/826596709.db2.gz FGNOEDCPZCYWTM-NEPJUHHUSA-N 1 2 320.349 -0.607 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)[C@@H](O)C1 ZINC001099650575 826602404 /nfs/dbraw/zinc/60/24/04/826602404.db2.gz HGJFYEBZIHKXAO-OLZOCXBDSA-N 1 2 321.402 -0.338 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccsc2)[C@@H](O)C1 ZINC001099650575 826602408 /nfs/dbraw/zinc/60/24/08/826602408.db2.gz HGJFYEBZIHKXAO-OLZOCXBDSA-N 1 2 321.402 -0.338 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)[C@@H](O)C1 ZINC001099650218 826602589 /nfs/dbraw/zinc/60/25/89/826602589.db2.gz BMSLFGRVTIIWLV-NEPJUHHUSA-N 1 2 322.390 -0.447 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccsc2)[C@@H](O)C1 ZINC001099650218 826602592 /nfs/dbraw/zinc/60/25/92/826602592.db2.gz BMSLFGRVTIIWLV-NEPJUHHUSA-N 1 2 322.390 -0.447 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCSC)[C@H](O)C1 ZINC001099655059 826606270 /nfs/dbraw/zinc/60/62/70/826606270.db2.gz WMVXFIBUUMRTDY-NWDGAFQWSA-N 1 2 315.439 -0.407 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCSC)[C@H](O)C1 ZINC001099655059 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308.382 -0.466 20 30 DBEDLO N#Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2nnc[nH]2)c(F)c1 ZINC001394654603 998356325 /nfs/dbraw/zinc/35/63/25/998356325.db2.gz YNWYGOBKVKSELS-LLVKDONJSA-N 1 2 318.312 -0.304 20 30 DBEDLO N#Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2ncn[nH]2)c(F)c1 ZINC001394654603 998356333 /nfs/dbraw/zinc/35/63/33/998356333.db2.gz YNWYGOBKVKSELS-LLVKDONJSA-N 1 2 318.312 -0.304 20 30 DBEDLO N#Cc1ccc(C[NH2+][C@@H](CO)CNC(=O)c2nc[nH]n2)c(F)c1 ZINC001394654603 998356343 /nfs/dbraw/zinc/35/63/43/998356343.db2.gz YNWYGOBKVKSELS-LLVKDONJSA-N 1 2 318.312 -0.304 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001494316590 1016217554 /nfs/dbraw/zinc/21/75/54/1016217554.db2.gz FDDKIXOHOKCTHX-MELADBBJSA-N 1 2 309.410 -0.278 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)[C@H](O)C(C)C)C1 ZINC001494316590 1016217561 /nfs/dbraw/zinc/21/75/61/1016217561.db2.gz FDDKIXOHOKCTHX-MELADBBJSA-N 1 2 309.410 -0.278 20 30 DBEDLO COCC[N@H+](CCNC(=O)c1ccc(C#N)[nH]1)[C@@H](C)C(N)=O 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306.370 -0.596 20 30 DBEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001008791966 812470420 /nfs/dbraw/zinc/47/04/20/812470420.db2.gz CKOYJDAJISMCGV-AAEUAGOBSA-N 1 2 318.381 -0.453 20 30 DBEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)nn1 ZINC001008791966 812470425 /nfs/dbraw/zinc/47/04/25/812470425.db2.gz CKOYJDAJISMCGV-AAEUAGOBSA-N 1 2 318.381 -0.453 20 30 DBEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001008792676 812470478 /nfs/dbraw/zinc/47/04/78/812470478.db2.gz GPXBFULSGUQHJU-MNOVXSKESA-N 1 2 306.370 -0.468 20 30 DBEDLO C=CCn1cc(C(=O)N[C@H]2CCC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001008792676 812470482 /nfs/dbraw/zinc/47/04/82/812470482.db2.gz GPXBFULSGUQHJU-MNOVXSKESA-N 1 2 306.370 -0.468 20 30 DBEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014499960 813255760 /nfs/dbraw/zinc/25/57/60/813255760.db2.gz GGIYDOIABRWARG-VIFPVBQESA-N 1 2 312.761 -0.680 20 30 DBEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001014499960 813255765 /nfs/dbraw/zinc/25/57/65/813255765.db2.gz GGIYDOIABRWARG-VIFPVBQESA-N 1 2 312.761 -0.680 20 30 DBEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001015082805 813365809 /nfs/dbraw/zinc/36/58/09/813365809.db2.gz FBSAUXRCGVLJJR-JTQLQIEISA-N 1 2 311.363 -0.246 20 30 DBEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001015082805 813365817 /nfs/dbraw/zinc/36/58/17/813365817.db2.gz FBSAUXRCGVLJJR-JTQLQIEISA-N 1 2 311.363 -0.246 20 30 DBEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001015811118 813531085 /nfs/dbraw/zinc/53/10/85/813531085.db2.gz ZTKKZGCCRUWXJS-WDEREUQCSA-N 1 2 306.370 -0.597 20 30 DBEDLO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001015811118 813531087 /nfs/dbraw/zinc/53/10/87/813531087.db2.gz ZTKKZGCCRUWXJS-WDEREUQCSA-N 1 2 306.370 -0.597 20 30 DBEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001015821031 813531440 /nfs/dbraw/zinc/53/14/40/813531440.db2.gz PVNSQDNXIZCFRZ-MNOVXSKESA-N 1 2 306.370 -0.468 20 30 DBEDLO C=CCCn1cc(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001015821031 813531447 /nfs/dbraw/zinc/53/14/47/813531447.db2.gz PVNSQDNXIZCFRZ-MNOVXSKESA-N 1 2 306.370 -0.468 20 30 DBEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001015821632 813532138 /nfs/dbraw/zinc/53/21/38/813532138.db2.gz YCLKHFBLDYLPPW-NWDGAFQWSA-N 1 2 320.397 -0.207 20 30 DBEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)nn1 ZINC001015821632 813532140 /nfs/dbraw/zinc/53/21/40/813532140.db2.gz YCLKHFBLDYLPPW-NWDGAFQWSA-N 1 2 320.397 -0.207 20 30 DBEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnn(C)n3)C2)C1=O ZINC001015842684 813541680 /nfs/dbraw/zinc/54/16/80/813541680.db2.gz POHGZQSCMKFCGN-DGCLKSJQSA-N 1 2 318.381 -0.594 20 30 DBEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnn(C)n3)C2)C1=O ZINC001015842684 813541687 /nfs/dbraw/zinc/54/16/87/813541687.db2.gz POHGZQSCMKFCGN-DGCLKSJQSA-N 1 2 318.381 -0.594 20 30 DBEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864936 813543935 /nfs/dbraw/zinc/54/39/35/813543935.db2.gz LTOIPEQPSVFSAY-SECBINFHSA-N 1 2 300.746 -0.519 20 30 DBEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CN2CC(=O)NC2=O)C1 ZINC001015864936 813543941 /nfs/dbraw/zinc/54/39/41/813543941.db2.gz LTOIPEQPSVFSAY-SECBINFHSA-N 1 2 300.746 -0.519 20 30 DBEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)c3cnon3)C2)C1=O ZINC001015877520 813552451 /nfs/dbraw/zinc/55/24/51/813552451.db2.gz WHFQHDYSCULQRP-ZYHUDNBSSA-N 1 2 305.338 -0.339 20 30 DBEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)c3cnon3)C2)C1=O ZINC001015877520 813552458 /nfs/dbraw/zinc/55/24/58/813552458.db2.gz WHFQHDYSCULQRP-ZYHUDNBSSA-N 1 2 305.338 -0.339 20 30 DBEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015949492 813571038 /nfs/dbraw/zinc/57/10/38/813571038.db2.gz SKRIKCQQVXFCBF-JTQLQIEISA-N 1 2 314.773 -0.129 20 30 DBEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CN2CCC(=O)NC2=O)C1 ZINC001015949492 813571040 /nfs/dbraw/zinc/57/10/40/813571040.db2.gz SKRIKCQQVXFCBF-JTQLQIEISA-N 1 2 314.773 -0.129 20 30 DBEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@@H+]([C@@H](C)C(N)=O)C1 ZINC001016012522 813590803 /nfs/dbraw/zinc/59/08/03/813590803.db2.gz DMFTUVHVHOZLFJ-RYUDHWBXSA-N 1 2 316.361 -0.229 20 30 DBEDLO C#CCOc1ncccc1C(=O)N[C@H]1CC[N@H+]([C@@H](C)C(N)=O)C1 ZINC001016012522 813590808 /nfs/dbraw/zinc/59/08/08/813590808.db2.gz DMFTUVHVHOZLFJ-RYUDHWBXSA-N 1 2 316.361 -0.229 20 30 DBEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)nc1 ZINC001016024941 813591989 /nfs/dbraw/zinc/59/19/89/813591989.db2.gz TTWSNDGZWRAWII-ZDUSSCGKSA-N 1 2 300.362 -0.045 20 30 DBEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C2)nc1 ZINC001016024941 813591997 /nfs/dbraw/zinc/59/19/97/813591997.db2.gz TTWSNDGZWRAWII-ZDUSSCGKSA-N 1 2 300.362 -0.045 20 30 DBEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001017713856 813827338 /nfs/dbraw/zinc/82/73/38/813827338.db2.gz LYVJLXSNYDYVMY-TXEJJXNPSA-N 1 2 302.334 -0.743 20 30 DBEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(=O)[nH]c1=O ZINC001017713856 813827346 /nfs/dbraw/zinc/82/73/46/813827346.db2.gz LYVJLXSNYDYVMY-TXEJJXNPSA-N 1 2 302.334 -0.743 20 30 DBEDLO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC(=O)NC1=O ZINC001018147909 813868325 /nfs/dbraw/zinc/86/83/25/813868325.db2.gz WIEPFCYKQGTDEH-BETUJISGSA-N 1 2 318.377 -0.373 20 30 DBEDLO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CN1CCC(=O)NC1=O ZINC001018147909 813868332 /nfs/dbraw/zinc/86/83/32/813868332.db2.gz WIEPFCYKQGTDEH-BETUJISGSA-N 1 2 318.377 -0.373 20 30 DBEDLO C#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1NC(=O)NC1=O ZINC001018249345 813879538 /nfs/dbraw/zinc/87/95/38/813879538.db2.gz NPRWOJBEQZSACO-GRYCIOLGSA-N 1 2 304.350 -0.717 20 30 DBEDLO C#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1NC(=O)NC1=O ZINC001018249345 813879546 /nfs/dbraw/zinc/87/95/46/813879546.db2.gz NPRWOJBEQZSACO-GRYCIOLGSA-N 1 2 304.350 -0.717 20 30 DBEDLO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001019529567 814179935 /nfs/dbraw/zinc/17/99/35/814179935.db2.gz XTZVCWLNQVBFIN-NSHDSACASA-N 1 2 316.365 -0.162 20 30 DBEDLO C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cc3ncn[nH]3)C2)C1=O ZINC001019629469 814205916 /nfs/dbraw/zinc/20/59/16/814205916.db2.gz MXOQHBFJFDHFRT-NWDGAFQWSA-N 1 2 318.381 -0.675 20 30 DBEDLO C=CC[N@H+]1CC[C@H](N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001033510580 814526886 /nfs/dbraw/zinc/52/68/86/814526886.db2.gz URMPLMTXWJIJAV-NSHDSACASA-N 1 2 316.365 -0.210 20 30 DBEDLO C=CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001033510580 814526890 /nfs/dbraw/zinc/52/68/90/814526890.db2.gz URMPLMTXWJIJAV-NSHDSACASA-N 1 2 316.365 -0.210 20 30 DBEDLO C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001033671965 814570207 /nfs/dbraw/zinc/57/02/07/814570207.db2.gz RQRMGWMRPWLXJB-WDEREUQCSA-N 1 2 321.830 -0.037 20 30 DBEDLO C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001033671965 814570210 /nfs/dbraw/zinc/57/02/10/814570210.db2.gz RQRMGWMRPWLXJB-WDEREUQCSA-N 1 2 321.830 -0.037 20 30 DBEDLO C=CCCn1cc(C(=O)N(CC)[C@@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001033980677 814617600 /nfs/dbraw/zinc/61/76/00/814617600.db2.gz XHQLPUMTWMIXQP-GFCCVEGCSA-N 1 2 320.397 -0.124 20 30 DBEDLO C=CCCn1cc(C(=O)N(CC)[C@@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001033980677 814617602 /nfs/dbraw/zinc/61/76/02/814617602.db2.gz XHQLPUMTWMIXQP-GFCCVEGCSA-N 1 2 320.397 -0.124 20 30 DBEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001035362928 814907083 /nfs/dbraw/zinc/90/70/83/814907083.db2.gz YGJNZMPTBDQTBL-ZDUSSCGKSA-N 1 2 323.397 -0.069 20 30 DBEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001035362928 814907088 /nfs/dbraw/zinc/90/70/88/814907088.db2.gz YGJNZMPTBDQTBL-ZDUSSCGKSA-N 1 2 323.397 -0.069 20 30 DBEDLO N#Cc1cccnc1N1C[C@@H](O)[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001041369863 815595114 /nfs/dbraw/zinc/59/51/14/815595114.db2.gz QTFFQRPZYGBZNE-CHWSQXEVSA-N 1 2 312.333 -0.415 20 30 DBEDLO C#CC[N@H+]1CC[C@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001041420829 815609969 /nfs/dbraw/zinc/60/99/69/815609969.db2.gz FCXVCGIELHJWIX-HNNXBMFYSA-N 1 2 310.419 -0.021 20 30 DBEDLO C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CC3CS(=O)(=O)C3)C2)C1 ZINC001041420829 815609975 /nfs/dbraw/zinc/60/99/75/815609975.db2.gz FCXVCGIELHJWIX-HNNXBMFYSA-N 1 2 310.419 -0.021 20 30 DBEDLO C=CCOCC(=O)N1CC(O)(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001042823719 816035012 /nfs/dbraw/zinc/03/50/12/816035012.db2.gz NTIXFYCOEHNROO-UHFFFAOYSA-N 1 2 322.365 -0.766 20 30 DBEDLO CC(C)C#CC(=O)NCC1(O)CN(C(=O)CCn2cc[nH+]c2)C1 ZINC001042943756 816073612 /nfs/dbraw/zinc/07/36/12/816073612.db2.gz XJYJEHDQJNGJPE-UHFFFAOYSA-N 1 2 318.377 -0.378 20 30 DBEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(S(N)(=O)=O)o2)C1 ZINC001043218415 816145356 /nfs/dbraw/zinc/14/53/56/816145356.db2.gz WFZCSLMJBXQWOE-UHFFFAOYSA-N 1 2 311.363 -0.294 20 30 DBEDLO C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001043226241 816148615 /nfs/dbraw/zinc/14/86/15/816148615.db2.gz SLGDHPPNCYHNDW-QWRGUYRKSA-N 1 2 319.365 -0.563 20 30 DBEDLO C[C@@H](C#N)C(=O)N1CC(O)(CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001043226241 816148621 /nfs/dbraw/zinc/14/86/21/816148621.db2.gz SLGDHPPNCYHNDW-QWRGUYRKSA-N 1 2 319.365 -0.563 20 30 DBEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1Nc1ccnc(C#N)n1 ZINC001043227637 816148737 /nfs/dbraw/zinc/14/87/37/816148737.db2.gz HALGLBLHFFXWEI-VXGBXAGGSA-N 1 2 311.349 -0.074 20 30 DBEDLO C=C(C)CCC(=O)NCC1(O)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001043311252 816161163 /nfs/dbraw/zinc/16/11/63/816161163.db2.gz RMPVVPSZLXUKTK-UHFFFAOYSA-N 1 2 306.366 -0.002 20 30 DBEDLO C#CCN1CC(N(C)C(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001043425191 816187053 /nfs/dbraw/zinc/18/70/53/816187053.db2.gz DYUQYWGOBKGMEU-CVEARBPZSA-N 1 2 321.421 -0.358 20 30 DBEDLO C#CCC[NH+]1CC(N(C)C(=O)c2ccc(-n3cnnn3)cn2)C1 ZINC001043463367 816195001 /nfs/dbraw/zinc/19/50/01/816195001.db2.gz WZHFUIVWHBHYRW-UHFFFAOYSA-N 1 2 311.349 -0.163 20 30 DBEDLO O=C(CCc1c[nH]c[nH+]1)NCC1(O)CN(C(=O)C#CC2CC2)C1 ZINC001043525354 816213216 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30 DBEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H]1CCC(=O)N1)CO2 ZINC001053954158 818049222 /nfs/dbraw/zinc/04/92/22/818049222.db2.gz JTBWEMRUEXMLBA-OLZOCXBDSA-N 1 2 305.378 -0.362 20 30 DBEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)CN1CC(=O)NC1=O)CO2 ZINC001053959184 818050537 /nfs/dbraw/zinc/05/05/37/818050537.db2.gz UCNNXEFSDNSDNL-LLVKDONJSA-N 1 2 322.365 -0.926 20 30 DBEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1cn(CC)nn1)CO2 ZINC001053969370 818056214 /nfs/dbraw/zinc/05/62/14/818056214.db2.gz MHVUVIIYCFOYCS-GFCCVEGCSA-N 1 2 303.366 -0.106 20 30 DBEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(=O)N1CC[C@@H](C)C1)CO2 ZINC001053976993 818059315 /nfs/dbraw/zinc/05/93/15/818059315.db2.gz LWWALYYJIHTCHR-ZIAGYGMSSA-N 1 2 319.405 -0.162 20 30 DBEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCN(C(C)=O)C1)CO2 ZINC001053995528 818065353 /nfs/dbraw/zinc/06/53/53/818065353.db2.gz ZAQZPGZTSWUYJF-LSDHHAIUSA-N 1 2 319.405 -0.162 20 30 DBEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC(=O)N1C)CO2 ZINC001053997700 818065628 /nfs/dbraw/zinc/06/56/28/818065628.db2.gz VALOVBJOVOBSKA-KGLIPLIRSA-N 1 2 319.405 -0.020 20 30 DBEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC(=O)N1C)CO2 ZINC001053997701 818065726 /nfs/dbraw/zinc/06/57/26/818065726.db2.gz VALOVBJOVOBSKA-UONOGXRCSA-N 1 2 319.405 -0.020 20 30 DBEDLO C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)c1ccc(=O)n(C)n1)CO2 ZINC001054000725 818066187 /nfs/dbraw/zinc/06/61/87/818066187.db2.gz ICZJPMCWTCXCSO-GFCCVEGCSA-N 1 2 318.377 -0.071 20 30 DBEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCC(=O)N(C)C1)CO2 ZINC001054017748 818073297 /nfs/dbraw/zinc/07/32/97/818073297.db2.gz KSHSVJLHGXVXGC-UONOGXRCSA-N 1 2 319.405 -0.162 20 30 DBEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1cn(C)c(=O)n1C)CO2 ZINC001054019333 818073665 /nfs/dbraw/zinc/07/36/65/818073665.db2.gz UGNDJELTYNBWFB-LBPRGKRZSA-N 1 2 318.377 -0.680 20 30 DBEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H]1CC(=O)NC1=O)CO2 ZINC001054025866 818075395 /nfs/dbraw/zinc/07/53/95/818075395.db2.gz KNINRSILXDZXQT-VXGBXAGGSA-N 1 2 319.361 -0.978 20 30 DBEDLO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1[NH2+]Cc1nnn(C)n1 ZINC001054574429 818142111 /nfs/dbraw/zinc/14/21/11/818142111.db2.gz QWAKQQPXQWIFER-JOYOIKCWSA-N 1 2 314.353 -0.340 20 30 DBEDLO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2nnc[nH]2)CC1 ZINC001055613720 818261677 /nfs/dbraw/zinc/26/16/77/818261677.db2.gz KIUPTLYJTZWIIZ-JTQLQIEISA-N 1 2 319.369 -0.725 20 30 DBEDLO C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)c2ncn[nH]2)CC1 ZINC001055613720 818261684 /nfs/dbraw/zinc/26/16/84/818261684.db2.gz KIUPTLYJTZWIIZ-JTQLQIEISA-N 1 2 319.369 -0.725 20 30 DBEDLO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC001055631870 818266967 /nfs/dbraw/zinc/26/69/67/818266967.db2.gz LZUCNNMRTSAXOB-SNVBAGLBSA-N 1 2 319.369 -0.725 20 30 DBEDLO C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)c2cnn[nH]2)CC1 ZINC001055631870 818266972 /nfs/dbraw/zinc/26/69/72/818266972.db2.gz LZUCNNMRTSAXOB-SNVBAGLBSA-N 1 2 319.369 -0.725 20 30 DBEDLO N#Cc1nccc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001056276714 818397494 /nfs/dbraw/zinc/39/74/94/818397494.db2.gz PDCALULJKGKLQZ-RTUWITSCSA-N 1 2 309.333 -0.135 20 30 DBEDLO CC(C)C#CC(=O)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057457880 818724258 /nfs/dbraw/zinc/72/42/58/818724258.db2.gz GZVXXUAICKPZPT-UHFFFAOYSA-N 1 2 320.393 -0.061 20 30 DBEDLO O=C(C#CC1CC1)NCCN(CCO)C(=O)CCc1[nH]cc[nH+]1 ZINC001057458524 818725462 /nfs/dbraw/zinc/72/54/62/818725462.db2.gz YIFNIDDOVDMLOK-UHFFFAOYSA-N 1 2 318.377 -0.307 20 30 DBEDLO O=C(CCc1[nH]cc[nH+]1)NCCN(CCO)C(=O)C#CC1CC1 ZINC001057531419 818754183 /nfs/dbraw/zinc/75/41/83/818754183.db2.gz NFXXRTCGLNKADJ-UHFFFAOYSA-N 1 2 318.377 -0.307 20 30 DBEDLO CC(C)(C)C#CC(=O)N(CCO)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001057541388 818758495 /nfs/dbraw/zinc/75/84/95/818758495.db2.gz WZDQORHKDCKMJA-UHFFFAOYSA-N 1 2 320.393 -0.061 20 30 DBEDLO C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCCn1cc[nH+]c1 ZINC001057984363 818841404 /nfs/dbraw/zinc/84/14/04/818841404.db2.gz UWQZMMQBVFEIKL-CYBMUJFWSA-N 1 2 321.381 -0.240 20 30 DBEDLO C[C@H](C#N)C(=O)NCCN(CCO)C(=O)CCc1[nH+]ccn1C ZINC001058354590 818928065 /nfs/dbraw/zinc/92/80/65/818928065.db2.gz QMNWMLKZCZEEMI-GFCCVEGCSA-N 1 2 321.381 -0.551 20 30 DBEDLO C=C[C@](C)(O)CC(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058948126 819088205 /nfs/dbraw/zinc/08/82/05/819088205.db2.gz LUVVRQMCXHLLJX-HNNXBMFYSA-N 1 2 324.381 -0.784 20 30 DBEDLO C=CCO[C@H](C)C(=O)NCCN(CCO)C(=O)Cc1c[nH+]c[nH]1 ZINC001058948948 819089928 /nfs/dbraw/zinc/08/99/28/819089928.db2.gz HCZUPMPZIWHZAJ-GFCCVEGCSA-N 1 2 324.381 -0.520 20 30 DBEDLO C[C@H](C#N)C(=O)N1CCOC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001061682531 819382613 /nfs/dbraw/zinc/38/26/13/819382613.db2.gz MLLRVMXKKWPORJ-NEPJUHHUSA-N 1 2 305.338 -0.614 20 30 DBEDLO CC(C)C#CC(=O)N1CCOC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001061682522 819383008 /nfs/dbraw/zinc/38/30/08/819383008.db2.gz MFJLYVWWTPMAOZ-CQSZACIVSA-N 1 2 318.377 -0.114 20 30 DBEDLO O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1COCCN1C(=O)C#CC1CC1 ZINC001061816941 819411298 /nfs/dbraw/zinc/41/12/98/819411298.db2.gz ACCYFAZTFTZMKG-CYBMUJFWSA-N 1 2 316.361 -0.291 20 30 DBEDLO C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001061852899 819423227 /nfs/dbraw/zinc/42/32/27/819423227.db2.gz NUGZREBTQQJAPE-YPMHNXCESA-N 1 2 319.365 -0.154 20 30 DBEDLO C[C@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001061852899 819423231 /nfs/dbraw/zinc/42/32/31/819423231.db2.gz NUGZREBTQQJAPE-YPMHNXCESA-N 1 2 319.365 -0.154 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@H]1COCCN1C(=O)CCn1cc[nH+]c1 ZINC001061852675 819423291 /nfs/dbraw/zinc/42/32/91/819423291.db2.gz LEUOUAIGDSXEFP-STQMWFEESA-N 1 2 319.365 -0.224 20 30 DBEDLO C=CCOCC(=O)N1CCOC[C@@H]1CNC(=O)Cc1c[nH]c[nH+]1 ZINC001061930623 819438857 /nfs/dbraw/zinc/43/88/57/819438857.db2.gz SZIXIRNVZYMGIT-ZDUSSCGKSA-N 1 2 322.365 -0.502 20 30 DBEDLO O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001065137416 819828829 /nfs/dbraw/zinc/82/88/29/819828829.db2.gz SWEMJFRTXAHIMU-CQSZACIVSA-N 1 2 316.361 -0.291 20 30 DBEDLO C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001065271749 819850532 /nfs/dbraw/zinc/85/05/32/819850532.db2.gz WTDZWKNGJQQBFM-DGCLKSJQSA-N 1 2 319.365 -0.154 20 30 DBEDLO C[C@H](C#N)C(=O)NC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001065271749 819850543 /nfs/dbraw/zinc/85/05/43/819850543.db2.gz WTDZWKNGJQQBFM-DGCLKSJQSA-N 1 2 319.365 -0.154 20 30 DBEDLO CC(C)C#CC(=O)NC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001065305793 819857585 /nfs/dbraw/zinc/85/75/85/819857585.db2.gz UJKSFOZCVCZVNM-AWEZNQCLSA-N 1 2 318.377 -0.114 20 30 DBEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 ZINC001065556395 819911339 /nfs/dbraw/zinc/91/13/39/819911339.db2.gz HEUGJMXZZYOZMB-PWSUYJOCSA-N 1 2 319.365 -0.236 20 30 DBEDLO C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001065557391 819913829 /nfs/dbraw/zinc/91/38/29/819913829.db2.gz QFSHDPTVDWCQLV-PWSUYJOCSA-N 1 2 305.338 -0.545 20 30 DBEDLO C[C@H](C#N)C(=O)N1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001065561224 819914810 /nfs/dbraw/zinc/91/48/10/819914810.db2.gz PSOMOVXQCSEQES-NEPJUHHUSA-N 1 2 305.338 -0.614 20 30 DBEDLO C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1Nc1ccnc(C#N)n1 ZINC001067112683 820074596 /nfs/dbraw/zinc/07/45/96/820074596.db2.gz HALGLBLHFFXWEI-NEPJUHHUSA-N 1 2 311.349 -0.074 20 30 DBEDLO C[C@@H](C#N)C(=O)N[C@H]1COC2(CN(C(=O)Cc3c[nH+]c[nH]3)C2)C1 ZINC001069009150 820280147 /nfs/dbraw/zinc/28/01/47/820280147.db2.gz XEHUICNBLMYFDN-CMPLNLGQSA-N 1 2 317.349 -0.402 20 30 DBEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)c3nnn(C)n3)c2C1 ZINC001069870740 820320165 /nfs/dbraw/zinc/32/01/65/820320165.db2.gz PQFAJYBTYMHCRW-UHFFFAOYSA-N 1 2 316.369 -0.272 20 30 DBEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)c3nnn(C)n3)c2C1 ZINC001069870740 820320174 /nfs/dbraw/zinc/32/01/74/820320174.db2.gz PQFAJYBTYMHCRW-UHFFFAOYSA-N 1 2 316.369 -0.272 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](n2ccnn2)C1 ZINC001069892838 820326900 /nfs/dbraw/zinc/32/69/00/820326900.db2.gz RRNLVVHDYHSUBO-NEPJUHHUSA-N 1 2 303.322 -0.859 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2=COCCO2)[C@@H](n2ccnn2)C1 ZINC001069892838 820326911 /nfs/dbraw/zinc/32/69/11/820326911.db2.gz RRNLVVHDYHSUBO-NEPJUHHUSA-N 1 2 303.322 -0.859 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001069892979 820327632 /nfs/dbraw/zinc/32/76/32/820327632.db2.gz ZLNNJMSITWRVPG-HZSPNIEDSA-N 1 2 303.366 -0.178 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCO2)[C@@H](n2ccnn2)C1 ZINC001069892979 820327643 /nfs/dbraw/zinc/32/76/43/820327643.db2.gz ZLNNJMSITWRVPG-HZSPNIEDSA-N 1 2 303.366 -0.178 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](n2ccnn2)C1 ZINC001069902499 820335312 /nfs/dbraw/zinc/33/53/12/820335312.db2.gz AIXUMGQKQHJRBI-KGLIPLIRSA-N 1 2 301.350 -0.053 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C2=COCCC2)[C@@H](n2ccnn2)C1 ZINC001069902499 820335323 /nfs/dbraw/zinc/33/53/23/820335323.db2.gz AIXUMGQKQHJRBI-KGLIPLIRSA-N 1 2 301.350 -0.053 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001069910466 820341909 /nfs/dbraw/zinc/34/19/09/820341909.db2.gz WCTVTQIAIRADAH-KGLIPLIRSA-N 1 2 311.349 -0.335 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)ncn2)[C@@H](n2ccnn2)C1 ZINC001069910466 820341920 /nfs/dbraw/zinc/34/19/20/820341920.db2.gz WCTVTQIAIRADAH-KGLIPLIRSA-N 1 2 311.349 -0.335 20 30 DBEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069921732 820350558 /nfs/dbraw/zinc/35/05/58/820350558.db2.gz XFBRBVSPGZMLHH-OLZOCXBDSA-N 1 2 316.369 -0.269 20 30 DBEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC)n2)[C@@H](n2ccnn2)C1 ZINC001069921732 820350564 /nfs/dbraw/zinc/35/05/64/820350564.db2.gz XFBRBVSPGZMLHH-OLZOCXBDSA-N 1 2 316.369 -0.269 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070096043 820393578 /nfs/dbraw/zinc/39/35/78/820393578.db2.gz FHJWAIQVYKAKFW-KGLIPLIRSA-N 1 2 313.365 -0.310 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070096043 820393587 /nfs/dbraw/zinc/39/35/87/820393587.db2.gz FHJWAIQVYKAKFW-KGLIPLIRSA-N 1 2 313.365 -0.310 20 30 DBEDLO C=CC[N@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070097337 820395121 /nfs/dbraw/zinc/39/51/21/820395121.db2.gz NBMMNBKWFGXMSX-OLZOCXBDSA-N 1 2 301.354 -0.147 20 30 DBEDLO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn(C)n2)[C@@H](n2ccnn2)C1 ZINC001070097337 820395131 /nfs/dbraw/zinc/39/51/31/820395131.db2.gz NBMMNBKWFGXMSX-OLZOCXBDSA-N 1 2 301.354 -0.147 20 30 DBEDLO C#CCCN1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070098495 820395168 /nfs/dbraw/zinc/39/51/68/820395168.db2.gz BYRYNYJRIRZIPG-CABCVRRESA-N 1 2 316.409 -0.261 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070098889 820395373 /nfs/dbraw/zinc/39/53/73/820395373.db2.gz YFHVKSYNACOXHY-KGLIPLIRSA-N 1 2 311.349 -0.335 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccnc(C)n2)[C@@H](n2ccnn2)C1 ZINC001070098889 820395384 /nfs/dbraw/zinc/39/53/84/820395384.db2.gz YFHVKSYNACOXHY-KGLIPLIRSA-N 1 2 311.349 -0.335 20 30 DBEDLO C[C@@H](C#N)C(=O)NC1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 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ZINC001093148495 826094167 /nfs/dbraw/zinc/09/41/67/826094167.db2.gz LFAARNGTWHYZHI-UHFFFAOYSA-N 1 2 301.350 -0.427 20 30 DBEDLO C=CC[NH+]1CC(OC2CCN(C(=O)Cn3cnnn3)CC2)C1 ZINC001093505812 826132033 /nfs/dbraw/zinc/13/20/33/826132033.db2.gz RMAQUBFGNDPCGS-UHFFFAOYSA-N 1 2 306.370 -0.449 20 30 DBEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001093566156 826142673 /nfs/dbraw/zinc/14/26/73/826142673.db2.gz NVBLLOQGWRKICJ-CYBMUJFWSA-N 1 2 308.382 -0.454 20 30 DBEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3CNC(=O)N3)CC2)C1 ZINC001093566157 826143164 /nfs/dbraw/zinc/14/31/64/826143164.db2.gz NVBLLOQGWRKICJ-ZDUSSCGKSA-N 1 2 308.382 -0.454 20 30 DBEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)CC2)C1 ZINC001093575157 826144656 /nfs/dbraw/zinc/14/46/56/826144656.db2.gz RHTZTZQVLNTZNY-KGLIPLIRSA-N 1 2 307.394 -0.014 20 30 DBEDLO N#Cc1nccc(NCCNC(=O)[C@H]2CCn3c[nH+]cc3C2)n1 ZINC001093951006 826181816 /nfs/dbraw/zinc/18/18/16/826181816.db2.gz ATVQHJBSUMSWMW-NSHDSACASA-N 1 2 311.349 -0.243 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCCO3)nn2)C1 ZINC001094272703 826213982 /nfs/dbraw/zinc/21/39/82/826213982.db2.gz CTIZJUAALWUYGX-CQSZACIVSA-N 1 2 303.366 -0.047 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C3=COCCO3)nn2)C1 ZINC001094271097 826214132 /nfs/dbraw/zinc/21/41/32/826214132.db2.gz NOTRBVWHBMBUDS-UHFFFAOYSA-N 1 2 317.349 -0.338 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 ZINC001094276395 826215853 /nfs/dbraw/zinc/21/58/53/826215853.db2.gz NJLNVWNDAVMCKN-ZDUSSCGKSA-N 1 2 307.354 -0.648 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 ZINC001094288026 826221616 /nfs/dbraw/zinc/22/16/16/826221616.db2.gz BHBYFGFFHNOTGP-UHFFFAOYSA-N 1 2 314.353 -0.783 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ncn(C)n3)nn2)C1 ZINC001094288066 826221942 /nfs/dbraw/zinc/22/19/42/826221942.db2.gz DIOHKSWKSNWVHJ-UHFFFAOYSA-N 1 2 302.342 -0.621 20 30 DBEDLO C=CCC[NH+]1CC(n2cc(CNC(=O)c3cnn[nH]3)nn2)C1 ZINC001094303902 826226192 /nfs/dbraw/zinc/22/61/92/826226192.db2.gz HNKQGKKFVIWSNN-UHFFFAOYSA-N 1 2 302.342 -0.241 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)nn2)C1 ZINC001094309861 826227182 /nfs/dbraw/zinc/22/71/82/826227182.db2.gz TXIFNFUTWMSXRP-QWHCGFSZSA-N 1 2 318.381 -0.552 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3c[nH]c(=O)cn3)nn2)C1 ZINC001094313985 826228986 /nfs/dbraw/zinc/22/89/86/826228986.db2.gz KPOHESAXRXYTTQ-UHFFFAOYSA-N 1 2 315.337 -0.666 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3ccc(=O)[nH]n3)CC2=O)C1 ZINC001094698688 826259769 /nfs/dbraw/zinc/25/97/69/826259769.db2.gz IJNMJUKIIBQNLG-JTQLQIEISA-N 1 2 317.349 -0.617 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cnn(C)c3)CC2=O)C1 ZINC001094701049 826260406 /nfs/dbraw/zinc/26/04/06/826260406.db2.gz NAJVEFSODTVYCK-LBPRGKRZSA-N 1 2 303.366 -0.379 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cncnc3C)CC2=O)C1 ZINC001094705759 826263212 /nfs/dbraw/zinc/26/32/12/826263212.db2.gz QBRUUZANWGDDIU-GFCCVEGCSA-N 1 2 315.377 -0.014 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cn(C)nc3C)CC2=O)C1 ZINC001094714663 826267979 /nfs/dbraw/zinc/26/79/79/826267979.db2.gz ZIEVFXMUKGZSNV-GFCCVEGCSA-N 1 2 317.393 -0.071 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C[C@H]3COC(=O)C3)CC2=O)C1 ZINC001094721589 826270372 /nfs/dbraw/zinc/27/03/72/826270372.db2.gz GKYYGCTUKHVFHF-VXGBXAGGSA-N 1 2 321.377 -0.473 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cc[nH]c(=O)c3)CC2=O)C1 ZINC001094721507 826270377 /nfs/dbraw/zinc/27/03/77/826270377.db2.gz CDFAILUQPYZWIR-GFCCVEGCSA-N 1 2 316.361 -0.012 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cn(C)cn3)CC2=O)C1 ZINC001094721931 826270612 /nfs/dbraw/zinc/27/06/12/826270612.db2.gz NLZJYVQSTSZQRY-NSHDSACASA-N 1 2 303.366 -0.379 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cccc(=O)[nH]3)CC2=O)C1 ZINC001094723415 826271414 /nfs/dbraw/zinc/27/14/14/826271414.db2.gz JEUNPKMFVNBBGL-LLVKDONJSA-N 1 2 316.361 -0.012 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cnnc(C)c3)CC2=O)C1 ZINC001094730294 826274007 /nfs/dbraw/zinc/27/40/07/826274007.db2.gz WXFGCRVAOPOMSN-ZDUSSCGKSA-N 1 2 315.377 -0.014 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)Cc3nnc(C)[nH]3)CC2=O)C1 ZINC001094733118 826275132 /nfs/dbraw/zinc/27/51/32/826275132.db2.gz GCDMFDBJIGSFKD-NSHDSACASA-N 1 2 318.381 -0.757 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3n[nH]cc3C)CC2=O)C1 ZINC001094735407 826276083 /nfs/dbraw/zinc/27/60/83/826276083.db2.gz MZDJIBWRNBMIFY-LLVKDONJSA-N 1 2 303.366 -0.081 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3OCCO[C@H]3C)CC2=O)C1 ZINC001094747025 826278309 /nfs/dbraw/zinc/27/83/09/826278309.db2.gz HJZKAGSWPKUANU-HUBLWGQQSA-N 1 2 323.393 -0.622 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cnc[nH]c3=O)CC2=O)C1 ZINC001094751035 826279836 /nfs/dbraw/zinc/27/98/36/826279836.db2.gz NTEFBMHGPDJTGK-SNVBAGLBSA-N 1 2 317.349 -0.617 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)c3cn[nH]n3)CC2=O)C1 ZINC001094753423 826280403 /nfs/dbraw/zinc/28/04/03/826280403.db2.gz KHHJVHLGUBBLEE-JTQLQIEISA-N 1 2 304.354 -0.604 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCC(=O)NC3)CC2=O)C1 ZINC001094758271 826281262 /nfs/dbraw/zinc/28/12/62/826281262.db2.gz ZSPXWZHQAXCZAG-NEPJUHHUSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCN(C)C3=O)CC2=O)C1 ZINC001094771307 826283648 /nfs/dbraw/zinc/28/36/48/826283648.db2.gz JACUDXDCYAPVKT-AAEUAGOBSA-N 1 2 320.393 -0.948 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cnc(C)n3C)CC2=O)C1 ZINC001094776839 826284535 /nfs/dbraw/zinc/28/45/35/826284535.db2.gz HMZRLMMULMOLPD-LBPRGKRZSA-N 1 2 317.393 -0.071 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@]3(F)CCOC3)CC2=O)C1 ZINC001094778009 826284796 /nfs/dbraw/zinc/28/47/96/826284796.db2.gz ISYOKPQXFBIZQB-NHYWBVRUSA-N 1 2 311.357 -0.298 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cn(C)c(=O)[nH]3)CC2=O)C1 ZINC001094779623 826284833 /nfs/dbraw/zinc/28/48/33/826284833.db2.gz PIVZPHUKFWMMDD-SNVBAGLBSA-N 1 2 319.365 -0.673 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3n[nH]cc3F)CC2=O)C1 ZINC001094784198 826286220 /nfs/dbraw/zinc/28/62/20/826286220.db2.gz CXWFAUOUNLCQAO-VIFPVBQESA-N 1 2 307.329 -0.250 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@]3(C)CCNC3=O)CC2=O)C1 ZINC001094783638 826286356 /nfs/dbraw/zinc/28/63/56/826286356.db2.gz UFNGVIOFQDNTFN-BDJLRTHQSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)CC2=O)C1 ZINC001094786787 826286759 /nfs/dbraw/zinc/28/67/59/826286759.db2.gz BGYOKFLEUPADPT-RTXFEEFZSA-N 1 2 320.393 -0.915 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)Cn3ccc(C)n3)CC2=O)C1 ZINC001094787578 826287594 /nfs/dbraw/zinc/28/75/94/826287594.db2.gz ZKYVKAMUZUFGAU-CYBMUJFWSA-N 1 2 317.393 -0.221 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)c3cnon3)CC2=O)C1 ZINC001094798971 826289669 /nfs/dbraw/zinc/28/96/69/826289669.db2.gz DKUYMQDQEZYVRX-SNVBAGLBSA-N 1 2 305.338 -0.339 20 30 DBEDLO C=CCC[NH+]1CC(N2C[C@H](NC(=O)c3nnc[nH]3)CC2=O)C1 ZINC001094798361 826289726 /nfs/dbraw/zinc/28/97/26/826289726.db2.gz WYBDSORGCHSNAN-SNVBAGLBSA-N 1 2 304.354 -0.604 20 30 DBEDLO C=CCC[NH+]1CC(N2C[C@H](NC(=O)c3ncn[nH]3)CC2=O)C1 ZINC001094798361 826289730 /nfs/dbraw/zinc/28/97/30/826289730.db2.gz WYBDSORGCHSNAN-SNVBAGLBSA-N 1 2 304.354 -0.604 20 30 DBEDLO C=CCC[NH+]1CC(N2C[C@H](NC(=O)c3nc[nH]n3)CC2=O)C1 ZINC001094798361 826289736 /nfs/dbraw/zinc/28/97/36/826289736.db2.gz WYBDSORGCHSNAN-SNVBAGLBSA-N 1 2 304.354 -0.604 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cn(CC)nn3)CC2=O)C1 ZINC001094803534 826291162 /nfs/dbraw/zinc/29/11/62/826291162.db2.gz NQQFKDPKHLYLMX-NSHDSACASA-N 1 2 318.381 -0.501 20 30 DBEDLO C#CCN1CC(N2C[C@@H](NC(=O)Cc3[nH]c[nH+]c3C)CC2=O)C1 ZINC001094811766 826292764 /nfs/dbraw/zinc/29/27/64/826292764.db2.gz RAXJPXFEQUDCIK-LBPRGKRZSA-N 1 2 315.377 -0.705 20 30 DBEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cnnn1C)C2 ZINC001274129570 833034292 /nfs/dbraw/zinc/03/42/92/833034292.db2.gz FQTDJKITDPPDMG-HNNXBMFYSA-N 1 2 303.366 -0.501 20 30 DBEDLO C#CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1cnnn1C)C2 ZINC001274129570 833034295 /nfs/dbraw/zinc/03/42/95/833034295.db2.gz FQTDJKITDPPDMG-HNNXBMFYSA-N 1 2 303.366 -0.501 20 30 DBEDLO Cn1nncc1C[N@@H+]1CC[C@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001274130642 833035122 /nfs/dbraw/zinc/03/51/22/833035122.db2.gz VLNMOWGDYTYFKI-HNNXBMFYSA-N 1 2 318.381 -0.078 20 30 DBEDLO Cn1nncc1C[N@H+]1CC[C@]2(C1)CN(CCCC#N)C(=O)CO2 ZINC001274130642 833035129 /nfs/dbraw/zinc/03/51/29/833035129.db2.gz VLNMOWGDYTYFKI-HNNXBMFYSA-N 1 2 318.381 -0.078 20 30 DBEDLO C=CCN1C(=O)COCC12C[NH+](Cc1c[nH]c(=O)[nH]c1=O)C2 ZINC001274174423 833040809 /nfs/dbraw/zinc/04/08/09/833040809.db2.gz KFASQAOTZSTHAZ-UHFFFAOYSA-N 1 2 306.322 -0.513 20 30 DBEDLO N#Cc1cncc(N2CC[NH+](CCNC(=O)C3CC3)CC2)n1 ZINC001096261099 826365774 /nfs/dbraw/zinc/36/57/74/826365774.db2.gz ZNHZBOQANZCIFL-UHFFFAOYSA-N 1 2 300.366 -0.004 20 30 DBEDLO COCCC(=O)NCC[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC001096259625 826366244 /nfs/dbraw/zinc/36/62/44/826366244.db2.gz BLAUDHBBZLGUJA-UHFFFAOYSA-N 1 2 318.381 -0.377 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)CNC(=O)OC)C2)nn1 ZINC001098625963 826510204 /nfs/dbraw/zinc/51/02/04/826510204.db2.gz KBCOYMVIIFMDLL-LBPRGKRZSA-N 1 2 320.353 -0.870 20 30 DBEDLO CNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 ZINC001098632957 826511526 /nfs/dbraw/zinc/51/15/26/826511526.db2.gz GYFMUMFJONCOAL-JQWIXIFHSA-N 1 2 319.369 -0.953 20 30 DBEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC(=O)NC)C2)nn1 ZINC001098658546 826515096 /nfs/dbraw/zinc/51/50/96/826515096.db2.gz GOBDGNKJEPODRZ-CYBMUJFWSA-N 1 2 318.381 -0.700 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCOCC#C)C2)nn1 ZINC001098673194 826517243 /nfs/dbraw/zinc/51/72/43/826517243.db2.gz NHDSFPCEQIFABV-OAHLLOKOSA-N 1 2 315.377 -0.186 20 30 DBEDLO C=CC(C)(C)C(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098697992 826520213 /nfs/dbraw/zinc/52/02/13/826520213.db2.gz NLMLNMIMBZQHGC-GFCCVEGCSA-N 1 2 320.397 -0.161 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3n[nH]nc3C)C2)nn1 ZINC001098698336 826520430 /nfs/dbraw/zinc/52/04/30/826520430.db2.gz STZSFGZLNZDDSK-GFCCVEGCSA-N 1 2 314.353 -0.485 20 30 DBEDLO CC#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnon3)C2)nn1 ZINC001098751196 826525943 /nfs/dbraw/zinc/52/59/43/826525943.db2.gz JGWHCFBJONWYMO-LBPRGKRZSA-N 1 2 315.337 -0.139 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cc3nnc[nH]3)C2)nn1 ZINC001098763560 826527008 /nfs/dbraw/zinc/52/70/08/826527008.db2.gz ZPYHICYNZXXGKP-LBPRGKRZSA-N 1 2 314.353 -0.865 20 30 DBEDLO C#CCNCc1cn([C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001098790322 826529309 /nfs/dbraw/zinc/52/93/09/826529309.db2.gz SFYSZFQACQTIJG-CQSZACIVSA-N 1 2 313.365 -0.329 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3nonc3C)C2)nn1 ZINC001098789363 826529551 /nfs/dbraw/zinc/52/95/51/826529551.db2.gz BQCNNAYPBBJHSX-GFCCVEGCSA-N 1 2 315.337 -0.220 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)[C@H](O)C1 ZINC001099611401 826577945 /nfs/dbraw/zinc/57/79/45/826577945.db2.gz QISJNOHQBMVMKD-CHWSQXEVSA-N 1 2 308.382 -0.632 20 30 DBEDLO 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C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]cc2C)[C@@H](O)C1 ZINC001100107761 826858354 /nfs/dbraw/zinc/85/83/54/826858354.db2.gz LISHEIROMPIPMA-KBPBESRZSA-N 1 2 320.393 -0.210 20 30 DBEDLO C#CCC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)CCC)[C@H](O)C1 ZINC001100114973 826865787 /nfs/dbraw/zinc/86/57/87/826865787.db2.gz XETOSVVVYVMVCT-CHWSQXEVSA-N 1 2 316.423 -0.614 20 30 DBEDLO C#CCC[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)CCC)[C@H](O)C1 ZINC001100114973 826865803 /nfs/dbraw/zinc/86/58/03/826865803.db2.gz XETOSVVVYVMVCT-CHWSQXEVSA-N 1 2 316.423 -0.614 20 30 DBEDLO C=CC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@@H](O)C1 ZINC001100114733 826865869 /nfs/dbraw/zinc/86/58/69/826865869.db2.gz SMBNGYAMUBSIBT-NEPJUHHUSA-N 1 2 304.412 -0.453 20 30 DBEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@@H](O)C1 ZINC001100114733 826865879 /nfs/dbraw/zinc/86/58/79/826865879.db2.gz SMBNGYAMUBSIBT-NEPJUHHUSA-N 1 2 304.412 -0.453 20 30 DBEDLO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)CC)[C@@H](O)C1 ZINC001100129408 826879662 /nfs/dbraw/zinc/87/96/62/826879662.db2.gz MBXFPXIXIYRVJR-NEPJUHHUSA-N 1 2 304.412 -0.451 20 30 DBEDLO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)CC)[C@@H](O)C1 ZINC001100129408 826879669 /nfs/dbraw/zinc/87/96/69/826879669.db2.gz MBXFPXIXIYRVJR-NEPJUHHUSA-N 1 2 304.412 -0.451 20 30 DBEDLO C#CCC1(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2O)CCCCC1 ZINC001100136435 826888491 /nfs/dbraw/zinc/88/84/91/826888491.db2.gz MPTOJYVUBQUSJP-KBPBESRZSA-N 1 2 321.421 -0.003 20 30 DBEDLO C#CCC1(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2O)CCCCC1 ZINC001100136435 826888502 /nfs/dbraw/zinc/88/85/02/826888502.db2.gz MPTOJYVUBQUSJP-KBPBESRZSA-N 1 2 321.421 -0.003 20 30 DBEDLO C=CCCOCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC)C[C@H]1O ZINC001100138806 826893287 /nfs/dbraw/zinc/89/32/87/826893287.db2.gz LBNFWIIRKSYLCK-QWHCGFSZSA-N 1 2 313.398 -0.733 20 30 DBEDLO C=CCCOCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC)C[C@H]1O ZINC001100138806 826893298 /nfs/dbraw/zinc/89/32/98/826893298.db2.gz LBNFWIIRKSYLCK-QWHCGFSZSA-N 1 2 313.398 -0.733 20 30 DBEDLO C=C[C@](C)(O)CC(=O)NCC1CC([NH2+]Cc2nnn(C)n2)C1 ZINC001100285554 826929832 /nfs/dbraw/zinc/92/98/32/826929832.db2.gz LWLDUYNQWXHNEJ-MGULZYLOSA-N 1 2 308.386 -0.478 20 30 DBEDLO C/C=C(/C)C(=O)NC1(CO)CC[NH+](CC(=O)NCC#N)CC1 ZINC001274897668 833135371 /nfs/dbraw/zinc/13/53/71/833135371.db2.gz TXBWXAQIQVUPRG-BASWHVEKSA-N 1 2 308.382 -0.465 20 30 DBEDLO COCC[N@H+]1C[C@H]2CN(C(=O)C3(C#N)CCOCC3)C[C@@H](C1)O2 ZINC001274980161 833143799 /nfs/dbraw/zinc/14/37/99/833143799.db2.gz GBTHUWCJVGCMRD-OKILXGFUSA-N 1 2 323.393 -0.135 20 30 DBEDLO COCC[N@@H+]1C[C@H]2CN(C(=O)C3(C#N)CCOCC3)C[C@@H](C1)O2 ZINC001274980161 833143803 /nfs/dbraw/zinc/14/38/03/833143803.db2.gz GBTHUWCJVGCMRD-OKILXGFUSA-N 1 2 323.393 -0.135 20 30 DBEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CNC(C)=O)c1nccn12 ZINC001101604854 827120717 /nfs/dbraw/zinc/12/07/17/827120717.db2.gz ZWBMWHMHILBFRI-GFCCVEGCSA-N 1 2 303.366 -0.223 20 30 DBEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CNC(=O)NC)c1nccn12 ZINC001101630350 827126651 /nfs/dbraw/zinc/12/66/51/827126651.db2.gz FHFCXKTZQHRODU-LLVKDONJSA-N 1 2 318.381 -0.430 20 30 DBEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)CCNC(N)=O)c1nccn12 ZINC001101652336 827129766 /nfs/dbraw/zinc/12/97/66/827129766.db2.gz DFQQBQPNHFLHMI-NSHDSACASA-N 1 2 318.381 -0.301 20 30 DBEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)CC)C2)nn1 ZINC001105125369 827382213 /nfs/dbraw/zinc/38/22/13/827382213.db2.gz KNJVIHSQNOFYIL-NSHDSACASA-N 1 2 320.397 -0.148 20 30 DBEDLO C#CCCCC(=O)N[C@@H](C)C[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001275545650 833189984 /nfs/dbraw/zinc/18/99/84/833189984.db2.gz ZZXKGTYIVDEEAH-ZDUSSCGKSA-N 1 2 322.409 -0.815 20 30 DBEDLO C#CCCCC(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001275545650 833189986 /nfs/dbraw/zinc/18/99/86/833189986.db2.gz ZZXKGTYIVDEEAH-ZDUSSCGKSA-N 1 2 322.409 -0.815 20 30 DBEDLO C#CCCCC(=O)N[C@H](C)C[N@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001275545649 833190053 /nfs/dbraw/zinc/19/00/53/833190053.db2.gz ZZXKGTYIVDEEAH-CYBMUJFWSA-N 1 2 322.409 -0.815 20 30 DBEDLO C#CCCCC(=O)N[C@H](C)C[N@@H+](C)CC(=O)N1CCNC(=O)C1 ZINC001275545649 833190054 /nfs/dbraw/zinc/19/00/54/833190054.db2.gz ZZXKGTYIVDEEAH-CYBMUJFWSA-N 1 2 322.409 -0.815 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCOC3)C2)nn1 ZINC001105188183 827401573 /nfs/dbraw/zinc/40/15/73/827401573.db2.gz QZCOIMMRBZRLTB-LBPRGKRZSA-N 1 2 303.366 -0.189 20 30 DBEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccn[nH]3)C2)nn1 ZINC001105200092 827405002 /nfs/dbraw/zinc/40/50/02/827405002.db2.gz XQKYWYITULELME-UHFFFAOYSA-N 1 2 301.354 -0.097 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nccc(C)n3)C2)nn1 ZINC001105223635 827409191 /nfs/dbraw/zinc/40/91/91/827409191.db2.gz BOUJDWVQCIFQTJ-UHFFFAOYSA-N 1 2 311.349 -0.204 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nn(C)cc3C)C2)nn1 ZINC001105235459 827412128 /nfs/dbraw/zinc/41/21/28/827412128.db2.gz GFBSJNUVRGDSHV-UHFFFAOYSA-N 1 2 313.365 -0.260 20 30 DBEDLO C#CCO[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001105238381 827413186 /nfs/dbraw/zinc/41/31/86/827413186.db2.gz XZURNMNUJWGMEA-CYBMUJFWSA-N 1 2 315.377 -0.187 20 30 DBEDLO C#CCO[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001105238382 827413452 /nfs/dbraw/zinc/41/34/52/827413452.db2.gz XZURNMNUJWGMEA-ZDUSSCGKSA-N 1 2 315.377 -0.187 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)NC(=O)CC)C2)nn1 ZINC001105246619 827414107 /nfs/dbraw/zinc/41/41/07/827414107.db2.gz FDKDLPTYSITPDX-LLVKDONJSA-N 1 2 318.381 -0.701 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3nccn3)C2)nn1 ZINC001105247162 827414835 /nfs/dbraw/zinc/41/48/35/827414835.db2.gz RTGJSQZGZCIZCA-UHFFFAOYSA-N 1 2 314.353 -0.934 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cnc(C)o3)C2)nn1 ZINC001105256522 827415843 /nfs/dbraw/zinc/41/58/43/827415843.db2.gz HPUIJBZXFUQIKW-UHFFFAOYSA-N 1 2 314.349 -0.077 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn[nH]n3)C2)nn1 ZINC001105276892 827417787 /nfs/dbraw/zinc/41/77/87/827417787.db2.gz WZJPRLFBOMNELS-UHFFFAOYSA-N 1 2 300.326 -0.794 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC(=O)N3C)C2)nn1 ZINC001105305959 827423146 /nfs/dbraw/zinc/42/31/46/827423146.db2.gz VCCBKRHLWFGMBM-ZDUSSCGKSA-N 1 2 316.365 -0.995 20 30 DBEDLO C=C[C@@H](C)[C@@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105305939 827423310 /nfs/dbraw/zinc/42/33/10/827423310.db2.gz UTTCOHVDQISLDF-GHMZBOCLSA-N 1 2 320.397 -0.306 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@]3(F)CCOC3)C2)nn1 ZINC001105312207 827424312 /nfs/dbraw/zinc/42/43/12/827424312.db2.gz FRFDQVFQNUVOJK-OAHLLOKOSA-N 1 2 321.356 -0.097 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)c(=O)[nH]3)C2)nn1 ZINC001105317050 827425278 /nfs/dbraw/zinc/42/52/78/827425278.db2.gz GAPXXVWFKSMPMD-UHFFFAOYSA-N 1 2 315.337 -0.863 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](COC)OC)C2)nn1 ZINC001105323509 827427608 /nfs/dbraw/zinc/42/76/08/827427608.db2.gz DIMSXSKHUWROCS-CYBMUJFWSA-N 1 2 307.354 -0.954 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3ccc(C)n3)C2)nn1 ZINC001105330049 827430082 /nfs/dbraw/zinc/43/00/82/827430082.db2.gz MFMRBMCVSRVFCV-UHFFFAOYSA-N 1 2 313.365 -0.411 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)OCCOC)C2)nn1 ZINC001105337098 827431442 /nfs/dbraw/zinc/43/14/42/827431442.db2.gz RWGHQDPSCDYFDX-LBPRGKRZSA-N 1 2 321.381 -0.564 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccnn3)C2)nn1 ZINC001105347702 827434861 /nfs/dbraw/zinc/43/48/61/827434861.db2.gz LGLNTJWYUMNRHS-UHFFFAOYSA-N 1 2 311.349 -0.122 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn4cc[nH]c34)C2)nn1 ZINC001105368054 827439886 /nfs/dbraw/zinc/43/98/86/827439886.db2.gz OARCUADRHSXYEY-UHFFFAOYSA-N 1 2 324.348 -0.326 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCOCCOC)C2)nn1 ZINC001105380796 827443581 /nfs/dbraw/zinc/44/35/81/827443581.db2.gz FZROYTIWSYKWLP-UHFFFAOYSA-N 1 2 321.381 -0.563 20 30 DBEDLO C=C[C@@](C)(O)CC(=O)NCCC1(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001164302894 833204411 /nfs/dbraw/zinc/20/44/11/833204411.db2.gz BNTPIOUNQDVLMH-CQSZACIVSA-N 1 2 322.413 -0.087 20 30 DBEDLO N#Cc1cncc(NC[C@H](O)CNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001105804280 827512392 /nfs/dbraw/zinc/51/23/92/827512392.db2.gz NGXQMGMHSFQYDV-NSHDSACASA-N 1 2 315.337 -0.407 20 30 DBEDLO N#Cc1cnccc1NC[C@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001105883688 827544206 /nfs/dbraw/zinc/54/42/06/827544206.db2.gz XFMDMGPDFDMQMK-LBPRGKRZSA-N 1 2 300.322 -0.839 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001105913685 827553463 /nfs/dbraw/zinc/55/34/63/827553463.db2.gz GOYLVUWHHZVMPQ-ZDUSSCGKSA-N 1 2 314.349 -0.760 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNc1cnc(C#N)cn1 ZINC001105914372 827553553 /nfs/dbraw/zinc/55/35/53/827553553.db2.gz VCEZNASLXHEWFH-LBPRGKRZSA-N 1 2 315.337 -0.787 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nc1 ZINC001105914369 827553581 /nfs/dbraw/zinc/55/35/81/827553581.db2.gz VBKXOGAWUCNVHI-AWEZNQCLSA-N 1 2 314.349 -0.182 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNc1ccc(C#N)cn1 ZINC001105914270 827553874 /nfs/dbraw/zinc/55/38/74/827553874.db2.gz SJNGXTSAYQCXLF-ZDUSSCGKSA-N 1 2 314.349 -0.182 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@H](O)CNc1ccc(C#N)cn1 ZINC001105914269 827553947 /nfs/dbraw/zinc/55/39/47/827553947.db2.gz SJNGXTSAYQCXLF-CYBMUJFWSA-N 1 2 314.349 -0.182 20 30 DBEDLO C#CCOCCC(=O)NCCC1(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001164504601 833214787 /nfs/dbraw/zinc/21/47/87/833214787.db2.gz DYHFKWSTJZSYMR-UHFFFAOYSA-N 1 2 320.397 -0.374 20 30 DBEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)c(F)c1 ZINC001105937172 827562968 /nfs/dbraw/zinc/56/29/68/827562968.db2.gz FRMYWQXKHKVQAZ-SNVBAGLBSA-N 1 2 318.312 -0.053 20 30 DBEDLO N#Cc1cnccc1NC[C@@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001105937201 827563105 /nfs/dbraw/zinc/56/31/05/827563105.db2.gz GNFHUHFJMMXDMZ-LLVKDONJSA-N 1 2 300.322 -0.770 20 30 DBEDLO N#Cc1cnccc1NC[C@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001106130275 827625896 /nfs/dbraw/zinc/62/58/96/827625896.db2.gz SJHDMIAZEVJUPZ-LBPRGKRZSA-N 1 2 300.322 -0.770 20 30 DBEDLO N#CCSCC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107129512 827707069 /nfs/dbraw/zinc/70/70/69/827707069.db2.gz BUQKPHSKNHDECO-UHFFFAOYSA-N 1 2 310.383 -1.000 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CN(C)C(C)=O)nn2)C1 ZINC001107132299 827708679 /nfs/dbraw/zinc/70/86/79/827708679.db2.gz PTWOSPAGHBMORY-UHFFFAOYSA-N 1 2 320.397 -0.195 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)COCCOC)nn2)C1 ZINC001107149623 827712658 /nfs/dbraw/zinc/71/26/58/827712658.db2.gz LHZVNUFVZZHXGB-UHFFFAOYSA-N 1 2 309.370 -0.400 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)n3cncn3)nn2)C1 ZINC001107159901 827716030 /nfs/dbraw/zinc/71/60/30/827716030.db2.gz YQMZMRJRMXDZIG-LLVKDONJSA-N 1 2 316.369 -0.210 20 30 DBEDLO COCC[NH+]1CC(n2cc(CNC(=O)C#CC3CC3)nn2)C1 ZINC001107169405 827718666 /nfs/dbraw/zinc/71/86/66/827718666.db2.gz GMQKUDKOZNZFOU-UHFFFAOYSA-N 1 2 303.366 -0.189 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H](C)OCC#C)nn2)C1 ZINC001107169866 827720144 /nfs/dbraw/zinc/72/01/44/827720144.db2.gz XDJRETDBILZZSI-ZDUSSCGKSA-N 1 2 315.377 -0.187 20 30 DBEDLO N#CCN1CC(n2cc(CNC(=O)CCn3cc[nH+]c3)nn2)C1 ZINC001107190948 827724067 /nfs/dbraw/zinc/72/40/67/827724067.db2.gz JGINKHIULIAPCB-UHFFFAOYSA-N 1 2 314.353 -0.439 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](C)CC(N)=O)nn2)C1 ZINC001107191012 827725019 /nfs/dbraw/zinc/72/50/19/827725019.db2.gz MMTMYUUSRKLHPZ-NSHDSACASA-N 1 2 320.397 -0.161 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H](C)CC(N)=O)nn2)C1 ZINC001107191011 827725203 /nfs/dbraw/zinc/72/52/03/827725203.db2.gz MMTMYUUSRKLHPZ-LLVKDONJSA-N 1 2 320.397 -0.161 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@]3(C)CCC(=O)N3)nn2)C1 ZINC001107209189 827727751 /nfs/dbraw/zinc/72/77/51/827727751.db2.gz JWHFTSMBFPHBGF-HNNXBMFYSA-N 1 2 318.381 -0.394 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](CC)NC(C)=O)nn2)C1 ZINC001107213439 827728387 /nfs/dbraw/zinc/72/83/87/827728387.db2.gz AWUJMFVIOLADGG-CQSZACIVSA-N 1 2 320.397 -0.148 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C(C)(C)NC(C)=O)nn2)C1 ZINC001107221045 827730599 /nfs/dbraw/zinc/73/05/99/827730599.db2.gz CTQQTOZPXQLRHP-UHFFFAOYSA-N 1 2 320.397 -0.148 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCn3cnnn3)nn2)C1 ZINC001107223400 827730849 /nfs/dbraw/zinc/73/08/49/827730849.db2.gz YGCLXXLTKUSRGA-UHFFFAOYSA-N 1 2 317.357 -0.986 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCCC(N)=O)nn2)C1 ZINC001107241867 827734794 /nfs/dbraw/zinc/73/47/94/827734794.db2.gz HVVCZBUIBGKRAL-UHFFFAOYSA-N 1 2 306.370 -0.407 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@@]1(C)C[N@H+](CCn2cncn2)CCO1 ZINC001107821196 827804565 /nfs/dbraw/zinc/80/45/65/827804565.db2.gz KXEBSRYOBVWTBP-JSGCOSHPSA-N 1 2 306.370 -0.355 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@@]1(C)C[N@@H+](CCn2cncn2)CCO1 ZINC001107821196 827804567 /nfs/dbraw/zinc/80/45/67/827804567.db2.gz KXEBSRYOBVWTBP-JSGCOSHPSA-N 1 2 306.370 -0.355 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2ccnn2)C1 ZINC001107897228 827830887 /nfs/dbraw/zinc/83/08/87/827830887.db2.gz DIXRTVMJUHMHRL-HNNXBMFYSA-N 1 2 305.382 -0.101 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCn2ccnn2)C1 ZINC001107897228 827830894 /nfs/dbraw/zinc/83/08/94/827830894.db2.gz DIXRTVMJUHMHRL-HNNXBMFYSA-N 1 2 305.382 -0.101 20 30 DBEDLO CC(C)C#CC(=O)NC[C@]1(C)C[N@H+](CCOCCO)CCO1 ZINC001107926127 827838612 /nfs/dbraw/zinc/83/86/12/827838612.db2.gz ANSBXDHRHHOMIT-MRXNPFEDSA-N 1 2 312.410 -0.138 20 30 DBEDLO CC(C)C#CC(=O)NC[C@]1(C)C[N@@H+](CCOCCO)CCO1 ZINC001107926127 827838617 /nfs/dbraw/zinc/83/86/17/827838617.db2.gz ANSBXDHRHHOMIT-MRXNPFEDSA-N 1 2 312.410 -0.138 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn(CCOC)nn2)C1 ZINC001107939731 827842727 /nfs/dbraw/zinc/84/27/27/827842727.db2.gz JETWUZBNAFXISR-HNNXBMFYSA-N 1 2 323.397 -0.069 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(CCOC)nn2)C1 ZINC001107939731 827842732 /nfs/dbraw/zinc/84/27/32/827842732.db2.gz JETWUZBNAFXISR-HNNXBMFYSA-N 1 2 323.397 -0.069 20 30 DBEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)NC(=O)COC)C1 ZINC001107965198 827850956 /nfs/dbraw/zinc/85/09/56/827850956.db2.gz SDYRRYMHTWIZAV-IUODEOHRSA-N 1 2 313.398 -0.469 20 30 DBEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)[C@@H](C)NC(=O)COC)C1 ZINC001107965198 827850960 /nfs/dbraw/zinc/85/09/60/827850960.db2.gz SDYRRYMHTWIZAV-IUODEOHRSA-N 1 2 313.398 -0.469 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)NC(=O)COC)C1 ZINC001107965200 827851455 /nfs/dbraw/zinc/85/14/55/827851455.db2.gz SDYRRYMHTWIZAV-WFASDCNBSA-N 1 2 313.398 -0.469 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H](C)NC(=O)COC)C1 ZINC001107965200 827851463 /nfs/dbraw/zinc/85/14/63/827851463.db2.gz SDYRRYMHTWIZAV-WFASDCNBSA-N 1 2 313.398 -0.469 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001107983320 827857823 /nfs/dbraw/zinc/85/78/23/827857823.db2.gz ISFZPVZTQRAYBK-BBRMVZONSA-N 1 2 307.394 -0.305 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC(=O)N(C)C2)C1 ZINC001107983320 827857827 /nfs/dbraw/zinc/85/78/27/827857827.db2.gz ISFZPVZTQRAYBK-BBRMVZONSA-N 1 2 307.394 -0.305 20 30 DBEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001108003622 827864607 /nfs/dbraw/zinc/86/46/07/827864607.db2.gz KGQNXBINKMFGIB-OAHLLOKOSA-N 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827906291 /nfs/dbraw/zinc/90/62/91/827906291.db2.gz VUSWMDKHQKVCBY-CZUORRHYSA-N 1 2 307.394 -0.162 20 30 DBEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC(=O)N2C)C1 ZINC001108157406 827906295 /nfs/dbraw/zinc/90/62/95/827906295.db2.gz VUSWMDKHQKVCBY-CZUORRHYSA-N 1 2 307.394 -0.162 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001108171979 827910450 /nfs/dbraw/zinc/91/04/50/827910450.db2.gz WNRVMBABKDAEMF-ZDUSSCGKSA-N 1 2 319.427 -0.552 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001108171979 827910454 /nfs/dbraw/zinc/91/04/54/827910454.db2.gz WNRVMBABKDAEMF-ZDUSSCGKSA-N 1 2 319.427 -0.552 20 30 DBEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001108171978 827910502 /nfs/dbraw/zinc/91/05/02/827910502.db2.gz WNRVMBABKDAEMF-CYBMUJFWSA-N 1 2 319.427 -0.552 20 30 DBEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CCCS(N)(=O)=O)C1 ZINC001108171978 827910507 /nfs/dbraw/zinc/91/05/07/827910507.db2.gz WNRVMBABKDAEMF-CYBMUJFWSA-N 1 2 319.427 -0.552 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001108277930 827932111 /nfs/dbraw/zinc/93/21/11/827932111.db2.gz BOGMQBMVMVDSGM-INIZCTEOSA-N 1 2 321.377 -0.730 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C2CC(=O)NC(=O)C2)C1 ZINC001108277930 827932114 /nfs/dbraw/zinc/93/21/14/827932114.db2.gz BOGMQBMVMVDSGM-INIZCTEOSA-N 1 2 321.377 -0.730 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001108305070 827943063 /nfs/dbraw/zinc/94/30/63/827943063.db2.gz WAKSUKYXGNWNSR-MRXNPFEDSA-N 1 2 318.377 -0.042 20 30 DBEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)c2cc(C(N)=O)c[nH]2)C1 ZINC001108305070 827943066 /nfs/dbraw/zinc/94/30/66/827943066.db2.gz WAKSUKYXGNWNSR-MRXNPFEDSA-N 1 2 318.377 -0.042 20 30 DBEDLO N#CCNC(=O)C[NH2+]C[C@@H](NC(=O)c1[nH]ncc1F)C1CC1 ZINC001276655589 833447935 /nfs/dbraw/zinc/44/79/35/833447935.db2.gz FPOFWOJCEMRSFO-SNVBAGLBSA-N 1 2 308.317 -0.713 20 30 DBEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001108337676 827950825 /nfs/dbraw/zinc/95/08/25/827950825.db2.gz AIEUBNKDSIEXNP-OAHLLOKOSA-N 1 2 324.381 -0.727 20 30 DBEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CN2CC(=O)N(C)C2=O)C1 ZINC001108337676 827950829 /nfs/dbraw/zinc/95/08/29/827950829.db2.gz AIEUBNKDSIEXNP-OAHLLOKOSA-N 1 2 324.381 -0.727 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001108372595 827959264 /nfs/dbraw/zinc/95/92/64/827959264.db2.gz LGAHDLIEEGOFDA-ZDUSSCGKSA-N 1 2 319.427 -0.729 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CS(=O)(=O)N(C)C)C1 ZINC001108372595 827959269 /nfs/dbraw/zinc/95/92/69/827959269.db2.gz LGAHDLIEEGOFDA-ZDUSSCGKSA-N 1 2 319.427 -0.729 20 30 DBEDLO C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001108410415 827970462 /nfs/dbraw/zinc/97/04/62/827970462.db2.gz QSRXFURIYHHXRO-RDJZCZTQSA-N 1 2 323.437 -0.063 20 30 DBEDLO C#CCCN1CCO[C@@](C)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001108410415 827970468 /nfs/dbraw/zinc/97/04/68/827970468.db2.gz QSRXFURIYHHXRO-RDJZCZTQSA-N 1 2 323.437 -0.063 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001108446876 827977843 /nfs/dbraw/zinc/97/78/43/827977843.db2.gz MGQDJAOUKFBVLS-WBMJQRKESA-N 1 2 321.377 -0.730 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001108446876 827977850 /nfs/dbraw/zinc/97/78/50/827977850.db2.gz MGQDJAOUKFBVLS-WBMJQRKESA-N 1 2 321.377 -0.730 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001108447594 827978188 /nfs/dbraw/zinc/97/81/88/827978188.db2.gz WLUCXEWCLWSCGH-ABAIWWIYSA-N 1 2 309.366 -0.568 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001108447594 827978191 /nfs/dbraw/zinc/97/81/91/827978191.db2.gz WLUCXEWCLWSCGH-ABAIWWIYSA-N 1 2 309.366 -0.568 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CSCC#N)CC2=O)C1 ZINC001108510840 827990717 /nfs/dbraw/zinc/99/07/17/827990717.db2.gz GIGZNUAGPLHQST-NSHDSACASA-N 1 2 308.407 -0.170 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CN(C)C(C)=O)CC2=O)C1 ZINC001108511162 827990760 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321.381 -0.694 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CCOCCOC)[C@@H](n2ccnn2)C1 ZINC001129481218 830183339 /nfs/dbraw/zinc/18/33/39/830183339.db2.gz IXZPAZGTVUZWME-KGLIPLIRSA-N 1 2 321.381 -0.694 20 30 DBEDLO COC(=O)NCC(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001130924820 830409370 /nfs/dbraw/zinc/40/93/70/830409370.db2.gz FQAYCBDRJLSEDL-GHMZBOCLSA-N 1 2 320.353 -0.816 20 30 DBEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCC(=O)NCC)CC1 ZINC001131345416 830459038 /nfs/dbraw/zinc/45/90/38/830459038.db2.gz YQGCYOPPHBFBID-UHFFFAOYSA-N 1 2 324.425 -0.261 20 30 DBEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCC(=O)NCC)CC1 ZINC001131345416 830459043 /nfs/dbraw/zinc/45/90/43/830459043.db2.gz YQGCYOPPHBFBID-UHFFFAOYSA-N 1 2 324.425 -0.261 20 30 DBEDLO COCC[N@@H+]1CCNC(=O)CCN(C(=O)C#CC(C)C)CC1 ZINC001131357501 830460606 /nfs/dbraw/zinc/46/06/06/830460606.db2.gz ZSFPVQPGNNNNQS-UHFFFAOYSA-N 1 2 309.410 -0.057 20 30 DBEDLO COCC[N@H+]1CCNC(=O)CCN(C(=O)C#CC(C)C)CC1 ZINC001131357501 830460610 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20 30 DBEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)[C@@H](O)C1 ZINC001090343019 825644831 /nfs/dbraw/zinc/64/48/31/825644831.db2.gz UGONLECQMZDJPP-HOCLYGCPSA-N 1 2 317.389 -0.118 20 30 DBEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cn(C)c(C)cc2=O)[C@@H](O)C1 ZINC001090343019 825644832 /nfs/dbraw/zinc/64/48/32/825644832.db2.gz UGONLECQMZDJPP-HOCLYGCPSA-N 1 2 317.389 -0.118 20 30 DBEDLO C=CC[N@@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001090373935 825659078 /nfs/dbraw/zinc/65/90/78/825659078.db2.gz KHJYDDMYVHGCMW-RYUDHWBXSA-N 1 2 302.396 -0.842 20 30 DBEDLO C=CC[N@H+]1CC[C@H](NC(=O)CC2CS(=O)(=O)C2)[C@@H](O)C1 ZINC001090373935 825659084 /nfs/dbraw/zinc/65/90/84/825659084.db2.gz KHJYDDMYVHGCMW-RYUDHWBXSA-N 1 2 302.396 -0.842 20 30 DBEDLO CC#CC[N@H+]1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](O)C1 ZINC001090432530 825693478 /nfs/dbraw/zinc/69/34/78/825693478.db2.gz LIBKQBKEAGUZJR-WCQYABFASA-N 1 2 320.345 -0.163 20 30 DBEDLO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc(=O)c(OC)co2)[C@H](O)C1 ZINC001090432530 825693483 /nfs/dbraw/zinc/69/34/83/825693483.db2.gz LIBKQBKEAGUZJR-WCQYABFASA-N 1 2 320.345 -0.163 20 30 DBEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)C[C@@H]2O)cc1 ZINC001090481310 825714397 /nfs/dbraw/zinc/71/43/97/825714397.db2.gz AGLXFVQGBQQDAI-GJZGRUSLSA-N 1 2 315.373 -0.421 20 30 DBEDLO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)C[C@@H]2O)cc1 ZINC001090481310 825714400 /nfs/dbraw/zinc/71/44/00/825714400.db2.gz AGLXFVQGBQQDAI-GJZGRUSLSA-N 1 2 315.373 -0.421 20 30 DBEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@@H+](CC(N)=O)C[C@H]1O ZINC001090763833 825827250 /nfs/dbraw/zinc/82/72/50/825827250.db2.gz MLTBFEBYQWEDOG-HUUCEWRRSA-N 1 2 315.373 -0.753 20 30 DBEDLO C#Cc1ccccc1CC(=O)N[C@@H]1CC[N@H+](CC(N)=O)C[C@H]1O ZINC001090763833 825827259 /nfs/dbraw/zinc/82/72/59/825827259.db2.gz MLTBFEBYQWEDOG-HUUCEWRRSA-N 1 2 315.373 -0.753 20 30 DBEDLO N#Cc1nccc(N[C@H]2C[C@H](CNC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001091464674 825963263 /nfs/dbraw/zinc/96/32/63/825963263.db2.gz VWGTYYYYKGUFIF-HAQNSBGRSA-N 1 2 311.349 -0.026 20 30 DBEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCNC1=O)c1nccn12 ZINC001092384801 826030792 /nfs/dbraw/zinc/03/07/92/826030792.db2.gz LZUNZXOVWOAGBF-NEPJUHHUSA-N 1 2 315.377 -0.223 20 30 DBEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1nccn1)c1nccn12 ZINC001092373527 826030901 /nfs/dbraw/zinc/03/09/01/826030901.db2.gz SZIOUZBQSYMCLQ-GFCCVEGCSA-N 1 2 313.365 -0.067 20 30 DBEDLO C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)c1nnc[nH]1)c1nccn12 ZINC001092404420 826034526 /nfs/dbraw/zinc/03/45/26/826034526.db2.gz VNUIATQCANRNTI-NSHDSACASA-N 1 2 311.349 -0.090 20 30 DBEDLO CCNC(=O)CN1C(=O)COCC12C[NH+](CCCCC#N)C2 ZINC001274042090 833008803 /nfs/dbraw/zinc/00/88/03/833008803.db2.gz BCNKLFAWQLITTI-UHFFFAOYSA-N 1 2 308.382 -0.270 20 30 DBEDLO CC[C@@H](C(N)=O)N1CC2(C[NH+](CCCCC#N)C2)OCC1=O ZINC001274043634 833008874 /nfs/dbraw/zinc/00/88/74/833008874.db2.gz QYXXJEUMACQISH-LBPRGKRZSA-N 1 2 308.382 -0.143 20 30 DBEDLO C=CC[NH+]1CC(OC2CCN(C(=O)[C@@H]3COC(=O)N3)CC2)C1 ZINC001093532879 826136107 /nfs/dbraw/zinc/13/61/07/826136107.db2.gz LJTOVLOEZLXFES-ZDUSSCGKSA-N 1 2 309.366 -0.027 20 30 DBEDLO C=CC[NH+]1CC(OC2CCN(C(=O)c3nnn(C)n3)CC2)C1 ZINC001093561494 826141812 /nfs/dbraw/zinc/14/18/12/826141812.db2.gz RJBGKQFARJYLSB-UHFFFAOYSA-N 1 2 306.370 -0.299 20 30 DBEDLO N#Cc1nccc(NCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)n1 ZINC001093959442 826182859 /nfs/dbraw/zinc/18/28/59/826182859.db2.gz XWKYADMKIVEPRM-NSHDSACASA-N 1 2 311.349 -0.243 20 30 DBEDLO Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCNc1ccnc(C#N)n1 ZINC001094129510 826198099 /nfs/dbraw/zinc/19/80/99/826198099.db2.gz DCBQEFNCTFOKPZ-GHMZBOCLSA-N 1 2 311.349 -0.165 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3cnns3)nn2)C1 ZINC001094276928 826216110 /nfs/dbraw/zinc/21/61/10/826216110.db2.gz XMSFYXZIBKPZEK-UHFFFAOYSA-N 1 2 317.378 -0.060 20 30 DBEDLO N#Cc1cc(C(=O)NCc2cn(C3C[NH+](CCO)C3)nn2)c[nH]1 ZINC001094285207 826219509 /nfs/dbraw/zinc/21/95/09/826219509.db2.gz DMOOKUAWTLMFQH-UHFFFAOYSA-N 1 2 315.337 -0.743 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 ZINC001094288157 826221837 /nfs/dbraw/zinc/22/18/37/826221837.db2.gz FUTXWTHPGUJBMO-UHFFFAOYSA-N 1 2 302.342 -0.621 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cnnn3CC)nn2)C1 ZINC001094288778 826222224 /nfs/dbraw/zinc/22/22/24/826222224.db2.gz VQWOUDFPIMTPFU-UHFFFAOYSA-N 1 2 316.369 -0.138 20 30 DBEDLO C=CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 ZINC001094290449 826222969 /nfs/dbraw/zinc/22/29/69/826222969.db2.gz CCWDGBLTKXKPCP-CHWSQXEVSA-N 1 2 320.353 -0.008 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC(=O)N(C)C3)nn2)C1 ZINC001094294608 826223055 /nfs/dbraw/zinc/22/30/55/826223055.db2.gz MAOGUWZHFMKJOR-NSHDSACASA-N 1 2 318.381 -0.585 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@]34C[C@H]3COC4)nn2)C1 ZINC001094292922 826223382 /nfs/dbraw/zinc/22/33/82/826223382.db2.gz NHSLEHJLSZCFEA-LRDDRELGSA-N 1 2 315.377 -0.189 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3[nH]c(=O)[nH]c3C)nn2)C1 ZINC001094298671 826223829 /nfs/dbraw/zinc/22/38/29/826223829.db2.gz WIPRSYXVJFETSE-UHFFFAOYSA-N 1 2 317.353 -0.012 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[C@@H]3C(N)=O)nn2)C1 ZINC001094309862 826227955 /nfs/dbraw/zinc/22/79/55/826227955.db2.gz TXIFNFUTWMSXRP-STQMWFEESA-N 1 2 318.381 -0.552 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3c[nH]c(=O)n3C)nn2)C1 ZINC001094311111 826227971 /nfs/dbraw/zinc/22/79/71/826227971.db2.gz JBEDQJOCVMVBTM-UHFFFAOYSA-N 1 2 317.353 -0.310 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCN(C)C3=O)nn2)C1 ZINC001094311421 826228561 /nfs/dbraw/zinc/22/85/61/826228561.db2.gz ZADPVPCONGNHFM-ZDUSSCGKSA-N 1 2 318.381 -0.585 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCC(=O)N3C)nn2)C1 ZINC001094312650 826228825 /nfs/dbraw/zinc/22/88/25/826228825.db2.gz KNJWDYUVPUSLTM-CYBMUJFWSA-N 1 2 318.381 -0.442 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3n[nH]cc3F)nn2)C1 ZINC001094316824 826229628 /nfs/dbraw/zinc/22/96/28/826229628.db2.gz NFCMPBZWWRGZBC-UHFFFAOYSA-N 1 2 317.328 -0.050 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cnn(C)c3C)CC2=O)C1 ZINC001094702474 826261408 /nfs/dbraw/zinc/26/14/08/826261408.db2.gz AKSQXHZETDOFNW-GFCCVEGCSA-N 1 2 317.393 -0.071 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cnsn3)CC2=O)C1 ZINC001094707736 826263662 /nfs/dbraw/zinc/26/36/62/826263662.db2.gz NVKMWDSXGCPFRW-VIFPVBQESA-N 1 2 307.379 -0.261 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3COCCO3)CC2=O)C1 ZINC001094709556 826264298 /nfs/dbraw/zinc/26/42/98/826264298.db2.gz LLMGRKVBOARPLQ-OCCSQVGLSA-N 1 2 323.393 -0.621 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)Cc3cnn(C)c3)CC2=O)C1 ZINC001094711712 826265546 /nfs/dbraw/zinc/26/55/46/826265546.db2.gz MAKFHDXAHAJVOY-CYBMUJFWSA-N 1 2 317.393 -0.450 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cnns3)CC2=O)C1 ZINC001094712690 826266513 /nfs/dbraw/zinc/26/65/13/826266513.db2.gz YYSUQXQETBYQEC-SECBINFHSA-N 1 2 307.379 -0.261 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3ccnn3C)CC2=O)C1 ZINC001094714665 826267806 /nfs/dbraw/zinc/26/78/06/826267806.db2.gz ZLTNBUBOSKQIIY-LLVKDONJSA-N 1 2 303.366 -0.379 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 ZINC001094716878 826269075 /nfs/dbraw/zinc/26/90/75/826269075.db2.gz DGURZFWKFULZSX-GFCCVEGCSA-N 1 2 303.366 -0.461 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cccc(=O)[nH]3)CC2=O)C1 ZINC001094723416 826271538 /nfs/dbraw/zinc/27/15/38/826271538.db2.gz JEUNPKMFVNBBGL-NSHDSACASA-N 1 2 316.361 -0.012 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cnn(C)c3N)CC2=O)C1 ZINC001094727445 826272825 /nfs/dbraw/zinc/27/28/25/826272825.db2.gz MKKSAMJJLXGJJN-JTQLQIEISA-N 1 2 318.381 -0.797 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)c3cn(C)nn3)CC2=O)C1 ZINC001094729437 826273372 /nfs/dbraw/zinc/27/33/72/826273372.db2.gz CKZJZQUVUMJGEY-NSHDSACASA-N 1 2 318.381 -0.594 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)Cc3cncnc3)CC2=O)C1 ZINC001094730264 826274450 /nfs/dbraw/zinc/27/44/50/826274450.db2.gz VUZWUCNVPKWGQW-ZDUSSCGKSA-N 1 2 315.377 -0.394 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)c3ncn(C)n3)CC2=O)C1 ZINC001094735976 826276050 /nfs/dbraw/zinc/27/60/50/826276050.db2.gz YQMPCVUSSAEEPO-LLVKDONJSA-N 1 2 318.381 -0.594 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3csnn3)CC2=O)C1 ZINC001094766778 826282717 /nfs/dbraw/zinc/28/27/17/826282717.db2.gz NGLJRQZZWOTJFL-SECBINFHSA-N 1 2 307.379 -0.261 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2=O)C1 ZINC001094770510 826282908 /nfs/dbraw/zinc/28/29/08/826282908.db2.gz CNNTZQIOVSKKBO-PBOSXPJTSA-N 1 2 305.378 -0.534 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)Cc3cnoc3)CC2=O)C1 ZINC001094777841 826285169 /nfs/dbraw/zinc/28/51/69/826285169.db2.gz CTFKVRLDMSLTKT-LBPRGKRZSA-N 1 2 304.350 -0.196 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)Cn3nccc3C)CC2=O)C1 ZINC001094791584 826288090 /nfs/dbraw/zinc/28/80/90/826288090.db2.gz GXDZCIPKRUEZPO-ZDUSSCGKSA-N 1 2 317.393 -0.221 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CCC(=O)N3)CC2=O)C1 ZINC001094808186 826292096 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C=C[C@@](C)(O)C[NH+]1CC2(C1)CN(CC(OC)OC)C(=O)CO2 ZINC001274614337 833109884 /nfs/dbraw/zinc/10/98/84/833109884.db2.gz FJHVUTDVXRFRJE-CQSZACIVSA-N 1 2 314.382 -0.545 20 30 DBEDLO C=C[C@@](C)(O)C[NH+]1CC2(C1)CN(Cc1nncn1C)C(=O)CO2 ZINC001274617111 833110988 /nfs/dbraw/zinc/11/09/88/833110988.db2.gz UODBRQZMMOPYHJ-CQSZACIVSA-N 1 2 321.381 -0.835 20 30 DBEDLO C#CCC[N@H+]1CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@@H](O)C1 ZINC001100116188 826868550 /nfs/dbraw/zinc/86/85/50/826868550.db2.gz PNBNIKFWYCCZCY-OLZOCXBDSA-N 1 2 316.423 -0.616 20 30 DBEDLO C#CCC[N@@H+]1CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)[C@@H](O)C1 ZINC001100116188 826868564 /nfs/dbraw/zinc/86/85/64/826868564.db2.gz PNBNIKFWYCCZCY-OLZOCXBDSA-N 1 2 316.423 -0.616 20 30 DBEDLO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@H](O)C1 ZINC001100137372 826890901 /nfs/dbraw/zinc/89/09/01/826890901.db2.gz YNOHLDXQKXPZGG-NWDGAFQWSA-N 1 2 318.439 -0.205 20 30 DBEDLO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@H](O)C1 ZINC001100137372 826890913 /nfs/dbraw/zinc/89/09/13/826890913.db2.gz YNOHLDXQKXPZGG-NWDGAFQWSA-N 1 2 318.439 -0.205 20 30 DBEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CNC(=O)OC)c1nccn12 ZINC001101608831 827121645 /nfs/dbraw/zinc/12/16/45/827121645.db2.gz MNYBNDHSJRDWLJ-LLVKDONJSA-N 1 2 319.365 -0.003 20 30 DBEDLO C[C@@H](C#N)C(=O)NCC[C@@H]1C[N@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001102783464 827247319 /nfs/dbraw/zinc/24/73/19/827247319.db2.gz ATWRXBMBTCYYHE-QJPTWQEYSA-N 1 2 305.386 -0.056 20 30 DBEDLO C[C@@H](C#N)C(=O)NCC[C@@H]1C[N@@H+](Cc2nnn(C)n2)C[C@H]1C ZINC001102783464 827247323 /nfs/dbraw/zinc/24/73/23/827247323.db2.gz ATWRXBMBTCYYHE-QJPTWQEYSA-N 1 2 305.386 -0.056 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)CC)C2)nn1 ZINC001105125394 827382368 /nfs/dbraw/zinc/38/23/68/827382368.db2.gz LHRCVVMZZFVJDV-LLVKDONJSA-N 1 2 318.381 -0.701 20 30 DBEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(C)=O)C2)nn1 ZINC001105128341 827383670 /nfs/dbraw/zinc/38/36/70/827383670.db2.gz ZQQHHNKKFCPXSE-SNVBAGLBSA-N 1 2 306.370 -0.538 20 30 DBEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CCOC)C2)nn1 ZINC001105130112 827384490 /nfs/dbraw/zinc/38/44/90/827384490.db2.gz FVXISFHIFMBIDT-UHFFFAOYSA-N 1 2 321.381 -0.563 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(=O)[nH]n3)C2)nn1 ZINC001105147331 827388471 /nfs/dbraw/zinc/38/84/71/827388471.db2.gz URCXSBKIDKCQLG-UHFFFAOYSA-N 1 2 313.321 -0.806 20 30 DBEDLO CCOCC(=O)N1CC(n2cc(C[NH2+]CC#CCOC)nn2)C1 ZINC001105151200 827390280 /nfs/dbraw/zinc/39/02/80/827390280.db2.gz UGYXXCPYPGEUGG-UHFFFAOYSA-N 1 2 321.381 -0.563 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)c3C)C2)nn1 ZINC001105159592 827391578 /nfs/dbraw/zinc/39/15/78/827391578.db2.gz RNPVFIXIUIKJJK-UHFFFAOYSA-N 1 2 313.365 -0.260 20 30 DBEDLO CNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1 ZINC001105189654 827401561 /nfs/dbraw/zinc/40/15/61/827401561.db2.gz JEWHQXTYMBUTHC-ZJUUUORDSA-N 1 2 319.369 -0.955 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)COCCOC)C2)nn1 ZINC001105197392 827403425 /nfs/dbraw/zinc/40/34/25/827403425.db2.gz RMNWEPPPQRNAHG-UHFFFAOYSA-N 1 2 321.381 -0.563 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)ncn3)C2)nn1 ZINC001105214014 827407441 /nfs/dbraw/zinc/40/74/41/827407441.db2.gz YZLGASSGAVTTNM-UHFFFAOYSA-N 1 2 311.349 -0.204 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3=CCOCC3)C2)nn1 ZINC001105218028 827408456 /nfs/dbraw/zinc/40/84/56/827408456.db2.gz SNQCLLBFGRIVNP-UHFFFAOYSA-N 1 2 301.350 -0.269 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ncn(C)n3)C2)nn1 ZINC001105230714 827410996 /nfs/dbraw/zinc/41/09/96/827410996.db2.gz ULUHUUAYNAWKHH-UHFFFAOYSA-N 1 2 314.353 -0.783 20 30 DBEDLO C[C@@H]([NH2+]Cc1cn(C2CN(C(=O)C#CC3CC3)C2)nn1)C(N)=O ZINC001105233358 827411919 /nfs/dbraw/zinc/41/19/19/827411919.db2.gz VMDSTUYUIAVCDE-SNVBAGLBSA-N 1 2 316.365 -0.962 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3[nH]c(=O)[nH]c3C)C2)nn1 ZINC001105264830 827415427 /nfs/dbraw/zinc/41/54/27/827415427.db2.gz QQDBQADUAPQYAA-UHFFFAOYSA-N 1 2 315.337 -0.565 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c(C)ncn3C)C2)nn1 ZINC001105264621 827415966 /nfs/dbraw/zinc/41/59/66/827415966.db2.gz NTVCYMRGMJJDIL-UHFFFAOYSA-N 1 2 313.365 -0.260 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CO[C@H](C)C3)C2)nn1 ZINC001105271112 827416694 /nfs/dbraw/zinc/41/66/94/827416694.db2.gz WSVARUGFQRDTEF-VXGBXAGGSA-N 1 2 303.366 -0.191 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3CC(OC)C3)C2)nn1 ZINC001105266045 827417352 /nfs/dbraw/zinc/41/73/52/827417352.db2.gz NFVDSJPAKPNQFN-UHFFFAOYSA-N 1 2 303.366 -0.191 20 30 DBEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001105297445 827421874 /nfs/dbraw/zinc/42/18/74/827421874.db2.gz NNEQBLBYAPHGFT-UHFFFAOYSA-N 1 2 320.397 -0.291 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]3(F)CCOC3)C2)nn1 ZINC001105312235 827424342 /nfs/dbraw/zinc/42/43/42/827424342.db2.gz GTWJDNMOSABIJS-AWEZNQCLSA-N 1 2 307.329 -0.487 20 30 DBEDLO Cn1ncc2c1nc[nH+]c2NC[C@H](O)CNC(=O)C#CC1CC1 ZINC001105825712 827525150 /nfs/dbraw/zinc/52/51/50/827525150.db2.gz NVKLFLUNBMLLGB-LLVKDONJSA-N 1 2 314.349 -0.334 20 30 DBEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)Cn1cc[nH+]c1 ZINC001105882345 827543096 /nfs/dbraw/zinc/54/30/96/827543096.db2.gz FMASTICINPNCHR-LBPRGKRZSA-N 1 2 300.322 -0.261 20 30 DBEDLO N#Cc1cncc(NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001105881811 827543341 /nfs/dbraw/zinc/54/33/41/827543341.db2.gz AEZKXTISCPRUFO-LLVKDONJSA-N 1 2 301.310 -0.866 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNc1ccc(C#N)nn1 ZINC001105914565 827553012 /nfs/dbraw/zinc/55/30/12/827553012.db2.gz XYRBTQGWYUPZQZ-LBPRGKRZSA-N 1 2 315.337 -0.787 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@H](O)CNc1ccc(C#N)nn1 ZINC001105914564 827553503 /nfs/dbraw/zinc/55/35/03/827553503.db2.gz XYRBTQGWYUPZQZ-GFCCVEGCSA-N 1 2 315.337 -0.787 20 30 DBEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)CCn2cc[nH+]c2)nn1 ZINC001106039332 827595719 /nfs/dbraw/zinc/59/57/19/827595719.db2.gz QJHWOHZHLJOAPS-LBPRGKRZSA-N 1 2 315.337 -0.476 20 30 DBEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)cn1 ZINC001106129157 827625802 /nfs/dbraw/zinc/62/58/02/827625802.db2.gz CUPAVBFEYNORAZ-LLVKDONJSA-N 1 2 301.310 -0.797 20 30 DBEDLO Cc1cc(NC[C@H](O)CNC(=O)Cc2c[nH]c[nH+]2)c(C#N)cn1 ZINC001106129182 827626245 /nfs/dbraw/zinc/62/62/45/827626245.db2.gz DFWFTHXMQQGQGS-ZDUSSCGKSA-N 1 2 314.349 -0.462 20 30 DBEDLO C=CCn1cc(C(=O)NC[C@H](O)CNc2cc[nH+]c(C)n2)nn1 ZINC001106131557 827627094 /nfs/dbraw/zinc/62/70/94/827627094.db2.gz DPUHBUUKYUVPJS-LLVKDONJSA-N 1 2 317.353 -0.235 20 30 DBEDLO C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001106858846 827682502 /nfs/dbraw/zinc/68/25/02/827682502.db2.gz RGIRNXLOQOARPK-VXGBXAGGSA-N 1 2 320.397 -0.667 20 30 DBEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)OC)nn2)C1 ZINC001107138454 827709391 /nfs/dbraw/zinc/70/93/91/827709391.db2.gz CRKIVXZURRAWIM-GFCCVEGCSA-N 1 2 323.397 -0.012 20 30 DBEDLO C=CCCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107140333 827710710 /nfs/dbraw/zinc/71/07/10/827710710.db2.gz AAWJANHANNTVOO-LBPRGKRZSA-N 1 2 323.397 -0.276 20 30 DBEDLO CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)C#N)nn2)C1 ZINC001107149683 827712551 /nfs/dbraw/zinc/71/25/51/827712551.db2.gz NQIKBCVJQIAZLU-NSHDSACASA-N 1 2 306.370 -0.053 20 30 DBEDLO C=C[C@@](C)(O)CC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107164256 827716553 /nfs/dbraw/zinc/71/65/53/827716553.db2.gz XVVCGPJOMSFIQU-CQSZACIVSA-N 1 2 309.370 -0.930 20 30 DBEDLO N#CCN1CC(n2cc(CNC(=O)CCc3c[nH]c[nH+]3)nn2)C1 ZINC001107178094 827722099 /nfs/dbraw/zinc/72/20/99/827722099.db2.gz HDXGWDGRGBJPAS-UHFFFAOYSA-N 1 2 314.353 -0.370 20 30 DBEDLO N#CCN1CC(n2cc(CNC(=O)CCc3c[nH+]c[nH]3)nn2)C1 ZINC001107178094 827722106 /nfs/dbraw/zinc/72/21/06/827722106.db2.gz HDXGWDGRGBJPAS-UHFFFAOYSA-N 1 2 314.353 -0.370 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@@H]3CCNC3=O)nn2)C1 ZINC001107178334 827722141 /nfs/dbraw/zinc/72/21/41/827722141.db2.gz SQPVKVZOEWVENV-NSHDSACASA-N 1 2 318.381 -0.537 20 30 DBEDLO C#CCC1(C(=O)NCc2cn(C3C[NH+](CCO)C3)nn2)CCC1 ZINC001107179952 827722224 /nfs/dbraw/zinc/72/22/24/827722224.db2.gz XCURZWOUHBBPOC-UHFFFAOYSA-N 1 2 317.393 -0.063 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)CC(N)=O)nn2)C1 ZINC001107190862 827724458 /nfs/dbraw/zinc/72/44/58/827724458.db2.gz FWKCPFXBHXWRPY-JTQLQIEISA-N 1 2 306.370 -0.552 20 30 DBEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)c2cccn3nnnc23)C1 ZINC001276050545 833239341 /nfs/dbraw/zinc/23/93/41/833239341.db2.gz GIFHVJLCSUXYCW-UHFFFAOYSA-N 1 2 316.365 -0.133 20 30 DBEDLO Cc1[nH+]c[nH]c1CC(=O)NCc1cn(C2CN(CC#N)C2)nn1 ZINC001107234195 827733845 /nfs/dbraw/zinc/73/38/45/827733845.db2.gz WBBINUSNKNLVKV-UHFFFAOYSA-N 1 2 314.353 -0.451 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CCCC(N)=O)nn2)C1 ZINC001107241694 827735454 /nfs/dbraw/zinc/73/54/54/827735454.db2.gz CLGMMMXFUFUOBW-UHFFFAOYSA-N 1 2 320.397 -0.017 20 30 DBEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCN(C(N)=O)C2)C1 ZINC001276062594 833241218 /nfs/dbraw/zinc/24/12/18/833241218.db2.gz PXARDMLROXYQRQ-CYBMUJFWSA-N 1 2 322.409 -0.647 20 30 DBEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2nccn3ccnc23)C1 ZINC001276083672 833242834 /nfs/dbraw/zinc/24/28/34/833242834.db2.gz 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ZINC001111181974 828246507 /nfs/dbraw/zinc/24/65/07/828246507.db2.gz WLKKJRLSPUZFMB-UTUOFQBUSA-N 1 2 316.365 -0.687 20 30 DBEDLO N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1ncc[nH]1)C2 ZINC001111181974 828246516 /nfs/dbraw/zinc/24/65/16/828246516.db2.gz WLKKJRLSPUZFMB-UTUOFQBUSA-N 1 2 316.365 -0.687 20 30 DBEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N ZINC001111482821 828277305 /nfs/dbraw/zinc/27/73/05/828277305.db2.gz UDLDLIORNMGMBL-MCIONIFRSA-N 1 2 320.393 -0.060 20 30 DBEDLO C=CCCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N ZINC001111482821 828277312 /nfs/dbraw/zinc/27/73/12/828277312.db2.gz UDLDLIORNMGMBL-MCIONIFRSA-N 1 2 320.393 -0.060 20 30 DBEDLO C#CCNC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCN(C)CC2)CC1 ZINC001116938572 828920914 /nfs/dbraw/zinc/92/09/14/828920914.db2.gz UHYQUOPELFNLKE-CQSZACIVSA-N 1 2 320.437 -0.390 20 30 DBEDLO C#CCOCCNC(=O)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001117437281 828979081 /nfs/dbraw/zinc/97/90/81/828979081.db2.gz XNQBWOYHLOGJJS-UHFFFAOYSA-N 1 2 316.361 -0.504 20 30 DBEDLO C=CCn1cc(CNC(=O)C(=O)N[C@H](C)Cn2cc[nH+]c2)nn1 ZINC001118173922 829043947 /nfs/dbraw/zinc/04/39/47/829043947.db2.gz VTYVNGQGVQBSJJ-LLVKDONJSA-N 1 2 317.353 -0.518 20 30 DBEDLO C[C@H](Cn1cc[nH+]c1)NC(=O)C(=O)N1CC[C@@](O)(CC#N)C1 ZINC001118212088 829050942 /nfs/dbraw/zinc/05/09/42/829050942.db2.gz XXIYTYWFDGHASH-RISCZKNCSA-N 1 2 305.338 -0.735 20 30 DBEDLO C[NH+]1CCN(C(=O)c2ccnc(N[C@@H](C#N)C(N)=O)c2)CC1 ZINC001170532128 833355012 /nfs/dbraw/zinc/35/50/12/833355012.db2.gz ZGUKGWAZPBGZNV-NSHDSACASA-N 1 2 302.338 -0.741 20 30 DBEDLO C#CCNC(=O)CN1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC001118495254 829094379 /nfs/dbraw/zinc/09/43/79/829094379.db2.gz SCUZBCIZSRZRSU-HNNXBMFYSA-N 1 2 302.378 -0.518 20 30 DBEDLO C#CC[NH+]1CCN([C@H]2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)CC1 ZINC001173582398 833379081 /nfs/dbraw/zinc/37/90/81/833379081.db2.gz LLWWJHHRJFSYNE-BTTYYORXSA-N 1 2 308.378 -0.022 20 30 DBEDLO C[C@@]1(C#N)CN(C(=O)C(=O)N2CC[NH+](C3CC3)CC2)CCO1 ZINC001120430805 829369932 /nfs/dbraw/zinc/36/99/32/829369932.db2.gz IMPAVMQDLCUURT-OAHLLOKOSA-N 1 2 306.366 -0.566 20 30 DBEDLO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(C)=O ZINC001176385869 833406179 /nfs/dbraw/zinc/40/61/79/833406179.db2.gz YWTDASHULUWJGN-GHMZBOCLSA-N 1 2 307.310 -0.972 20 30 DBEDLO CCOC(=O)[C@@H](C#N)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(C)=O ZINC001176385869 833406180 /nfs/dbraw/zinc/40/61/80/833406180.db2.gz YWTDASHULUWJGN-GHMZBOCLSA-N 1 2 307.310 -0.972 20 30 DBEDLO C[C@H](C#N)C(=O)NC[C@H](CO)Nc1ncnc2c1C[N@H+](C)CC2 ZINC001121205742 829446149 /nfs/dbraw/zinc/44/61/49/829446149.db2.gz SNDQQTGCANGSHE-GHMZBOCLSA-N 1 2 318.381 -0.487 20 30 DBEDLO C[C@H](C#N)C(=O)NC[C@H](CO)Nc1ncnc2c1C[N@@H+](C)CC2 ZINC001121205742 829446157 /nfs/dbraw/zinc/44/61/57/829446157.db2.gz SNDQQTGCANGSHE-GHMZBOCLSA-N 1 2 318.381 -0.487 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC001121213260 829448329 /nfs/dbraw/zinc/44/83/29/829448329.db2.gz PCHSCEOZBFHVBT-IUCAKERBSA-N 1 2 303.326 -0.588 20 30 DBEDLO C=CCOCC(=O)NC[C@@H](CO)Nc1nc(N(C)C)nc(C)[nH+]1 ZINC001121324093 829462767 /nfs/dbraw/zinc/46/27/67/829462767.db2.gz JDTVVGQVOBJMKL-NSHDSACASA-N 1 2 324.385 -0.662 20 30 DBEDLO N#Cc1cncc(N[C@@H](CO)CNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001121498271 829487985 /nfs/dbraw/zinc/48/79/85/829487985.db2.gz VGHMBNFTIQEKTB-LLVKDONJSA-N 1 2 315.337 -0.407 20 30 DBEDLO N#Cc1cncc(N[C@H](CO)CNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001121498272 829488351 /nfs/dbraw/zinc/48/83/51/829488351.db2.gz VGHMBNFTIQEKTB-NSHDSACASA-N 1 2 315.337 -0.407 20 30 DBEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@H+]2C)nnc1N1CCNC(=O)C1 ZINC001121610796 829498416 /nfs/dbraw/zinc/49/84/16/829498416.db2.gz UMDCEYCIFNNRLH-QWRGUYRKSA-N 1 2 306.370 -0.862 20 30 DBEDLO C=CCn1c([C@@H]2C[C@H](O)C[N@@H+]2C)nnc1N1CCNC(=O)C1 ZINC001121610796 829498420 /nfs/dbraw/zinc/49/84/20/829498420.db2.gz UMDCEYCIFNNRLH-QWRGUYRKSA-N 1 2 306.370 -0.862 20 30 DBEDLO N#Cc1nccnc1N[C@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001121717959 829506125 /nfs/dbraw/zinc/50/61/25/829506125.db2.gz KKWVUSGENXFGSG-JTQLQIEISA-N 1 2 301.310 -0.866 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)C2CCOCC2)C1 ZINC001276333297 833418949 /nfs/dbraw/zinc/41/89/49/833418949.db2.gz FZNXEEIEKKVART-GFCCVEGCSA-N 1 2 307.394 -0.401 20 30 DBEDLO N#Cc1cnc(N[C@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)c(F)c1 ZINC001121977359 829535405 /nfs/dbraw/zinc/53/54/05/829535405.db2.gz OYRKALPVLLXVHW-JTQLQIEISA-N 1 2 318.312 -0.053 20 30 DBEDLO Cc1cc(N[C@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)c(C#N)cn1 ZINC001121977814 829535533 /nfs/dbraw/zinc/53/55/33/829535533.db2.gz UMTMEMMKTFVGEH-LBPRGKRZSA-N 1 2 314.349 -0.462 20 30 DBEDLO Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001121976943 829535552 /nfs/dbraw/zinc/53/55/52/829535552.db2.gz JJWAENZCLUGCLZ-LLVKDONJSA-N 1 2 315.337 -0.489 20 30 DBEDLO Cc1cc(C#N)nc(N[C@H](CO)CNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001121976944 829535567 /nfs/dbraw/zinc/53/55/67/829535567.db2.gz JJWAENZCLUGCLZ-NSHDSACASA-N 1 2 315.337 -0.489 20 30 DBEDLO C[C@H](NC(=O)CCn1cccn1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276343169 833419574 /nfs/dbraw/zinc/41/95/74/833419574.db2.gz UVILYDQDQKACGM-LBPRGKRZSA-N 1 2 318.381 -0.651 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)CSCC#N)C1 ZINC001276341979 833420136 /nfs/dbraw/zinc/42/01/36/833420136.db2.gz JAHKPCDBTLQPHU-LLVKDONJSA-N 1 2 308.407 -0.571 20 30 DBEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276367577 833421368 /nfs/dbraw/zinc/42/13/68/833421368.db2.gz DERYBWWQSMYIND-JTQLQIEISA-N 1 2 314.349 -0.424 20 30 DBEDLO Cc1ncoc1C(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276361409 833421908 /nfs/dbraw/zinc/42/19/08/833421908.db2.gz PPCVUWSLSYBSRH-VIFPVBQESA-N 1 2 305.338 -0.327 20 30 DBEDLO C[C@@H](NC(=O)[C@@H]1CCCCO1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276370599 833422837 /nfs/dbraw/zinc/42/28/37/833422837.db2.gz YBWBCIRJVGAAAK-YPMHNXCESA-N 1 2 308.382 -0.368 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cc(C)ncn2)C1 ZINC001276369782 833422945 /nfs/dbraw/zinc/42/29/45/833422945.db2.gz SFNKSXZAGGHYCZ-LBPRGKRZSA-N 1 2 315.377 -0.415 20 30 DBEDLO C=CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2csnn2)C1 ZINC001276405759 833424862 /nfs/dbraw/zinc/42/48/62/833424862.db2.gz LWCJDLDWJRBMME-SECBINFHSA-N 1 2 309.395 -0.110 20 30 DBEDLO Cc1ccnn1CC(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276439339 833427993 /nfs/dbraw/zinc/42/79/93/833427993.db2.gz BFNAMDDXCQZDPY-LBPRGKRZSA-N 1 2 318.381 -0.732 20 30 DBEDLO Cc1cc(N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)c(C#N)cn1 ZINC001122623129 829604898 /nfs/dbraw/zinc/60/48/98/829604898.db2.gz RXGKRFNYUHSCQR-CYBMUJFWSA-N 1 2 314.349 -0.462 20 30 DBEDLO CCc1nc[nH]c1C(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276454187 833429731 /nfs/dbraw/zinc/42/97/31/833429731.db2.gz SXFNBVZEQCEEQH-JTQLQIEISA-N 1 2 318.381 -0.338 20 30 DBEDLO C=CCOCC[N@H+]1CCO[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001176949556 833439558 /nfs/dbraw/zinc/43/95/58/833439558.db2.gz PKMHZBLIEKUPBX-QWHCGFSZSA-N 1 2 311.382 -0.634 20 30 DBEDLO C=CCOCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CC(N)=O)C[C@@H]21 ZINC001176949556 833439560 /nfs/dbraw/zinc/43/95/60/833439560.db2.gz PKMHZBLIEKUPBX-QWHCGFSZSA-N 1 2 311.382 -0.634 20 30 DBEDLO Cc1nc(N(C)C)nc(NC[C@H](O)CN(C)C(=O)[C@H](C)C#N)[nH+]1 ZINC001124190225 829718983 /nfs/dbraw/zinc/71/89/83/829718983.db2.gz FEKDJGVGGSLKMM-KOLCDFICSA-N 1 2 321.385 -0.363 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CCOC2)C(C)(C)C1 ZINC001276615755 833444228 /nfs/dbraw/zinc/44/42/28/833444228.db2.gz LBOMMQOVNORMMK-CXAGYDPISA-N 1 2 321.421 -0.011 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@]2(C)CCOC2)C(C)(C)C1 ZINC001276615755 833444230 /nfs/dbraw/zinc/44/42/30/833444230.db2.gz LBOMMQOVNORMMK-CXAGYDPISA-N 1 2 321.421 -0.011 20 30 DBEDLO CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)Cn1cc[nH+]c1 ZINC001124398974 829746967 /nfs/dbraw/zinc/74/69/67/829746967.db2.gz HUNJDKCDYOXLAW-LBPRGKRZSA-N 1 2 315.337 -0.524 20 30 DBEDLO CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001124483526 829756032 /nfs/dbraw/zinc/75/60/32/829756032.db2.gz MDRPIJBOSCFFBS-LLVKDONJSA-N 1 2 315.337 -0.455 20 30 DBEDLO CN(C[C@@H](O)CNc1cnc(C#N)cn1)C(=O)Cc1[nH]cc[nH+]1 ZINC001124482644 829756331 /nfs/dbraw/zinc/75/63/31/829756331.db2.gz GTTYHJYLJVWKSQ-NSHDSACASA-N 1 2 315.337 -0.455 20 30 DBEDLO CN(C)c1noc(C[NH2+]CCNC(=O)c2cc(C#N)c[nH]2)n1 ZINC001125390920 829855920 /nfs/dbraw/zinc/85/59/20/829855920.db2.gz JMRFFUAGDLZGSM-UHFFFAOYSA-N 1 2 303.326 -0.145 20 30 DBEDLO COCCc1noc(C[NH2+]CCNC(=O)c2ccc(C#N)[nH]2)n1 ZINC001125775852 829877840 /nfs/dbraw/zinc/87/78/40/829877840.db2.gz BTNDWERLCKVQML-UHFFFAOYSA-N 1 2 318.337 -0.022 20 30 DBEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nc2c(o1)CCCC2 ZINC001125997622 829892550 /nfs/dbraw/zinc/89/25/50/829892550.db2.gz BQUBAFMZFFKLCD-UHFFFAOYSA-N 1 2 318.377 -0.101 20 30 DBEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nnc(C(C)(C)C)o1 ZINC001125998619 829893006 /nfs/dbraw/zinc/89/30/06/829893006.db2.gz RNBSBJHAQDZWCM-UHFFFAOYSA-N 1 2 321.381 -0.288 20 30 DBEDLO C#CCOCCC(=O)NCC[NH2+]Cc1nc(CCOC)no1 ZINC001127027377 829976017 /nfs/dbraw/zinc/97/60/17/829976017.db2.gz PVZBGPTUODXNJM-UHFFFAOYSA-N 1 2 310.354 -0.496 20 30 DBEDLO C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)CCOC)CC2 ZINC001127919326 830040324 /nfs/dbraw/zinc/04/03/24/830040324.db2.gz XUEJRSHDECNQHW-LBPRGKRZSA-N 1 2 305.382 -0.142 20 30 DBEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)Cn3cnnn3)c2C1 ZINC001128224295 830069604 /nfs/dbraw/zinc/06/96/04/830069604.db2.gz OICRLZXMGDHQAR-UHFFFAOYSA-N 1 2 316.369 -0.422 20 30 DBEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)Cn3cnnn3)c2C1 ZINC001128224295 830069610 /nfs/dbraw/zinc/06/96/10/830069610.db2.gz OICRLZXMGDHQAR-UHFFFAOYSA-N 1 2 316.369 -0.422 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1 ZINC001128731900 830127641 /nfs/dbraw/zinc/12/76/41/830127641.db2.gz VAQKRSIEOBLWGS-OLZOCXBDSA-N 1 2 318.406 -0.100 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CSCC#N)[C@@H](n2ccnn2)C1 ZINC001128731900 830127645 /nfs/dbraw/zinc/12/76/45/830127645.db2.gz VAQKRSIEOBLWGS-OLZOCXBDSA-N 1 2 318.406 -0.100 20 30 DBEDLO C=CCCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128807060 830133292 /nfs/dbraw/zinc/13/32/92/830133292.db2.gz KHOGFIFMYRPVBW-OLZOCXBDSA-N 1 2 320.397 -0.326 20 30 DBEDLO C=CCCC(=O)N[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@@H]1n1ccnn1 ZINC001128807060 830133296 /nfs/dbraw/zinc/13/32/96/830133296.db2.gz KHOGFIFMYRPVBW-OLZOCXBDSA-N 1 2 320.397 -0.326 20 30 DBEDLO C=CCOCC(=O)N[C@@H]1C[N@@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001128811942 830133681 /nfs/dbraw/zinc/13/36/81/830133681.db2.gz JNWHDHULNGVFHB-KGLIPLIRSA-N 1 2 303.366 -0.155 20 30 DBEDLO C=CCOCC(=O)N[C@@H]1C[N@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001128811942 830133685 /nfs/dbraw/zinc/13/36/85/830133685.db2.gz JNWHDHULNGVFHB-KGLIPLIRSA-N 1 2 303.366 -0.155 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)C[C@](C)(O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001128898183 830139157 /nfs/dbraw/zinc/13/91/57/830139157.db2.gz SJKKQKZZYYKZRO-YCPHGPKFSA-N 1 2 317.393 -0.196 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@](C)(O)C2CC2)[C@@H](n2ccnn2)C1 ZINC001128898183 830139160 /nfs/dbraw/zinc/13/91/60/830139160.db2.gz SJKKQKZZYYKZRO-YCPHGPKFSA-N 1 2 317.393 -0.196 20 30 DBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001128929111 830141905 /nfs/dbraw/zinc/14/19/05/830141905.db2.gz BWFDWQMFHIRDSS-IJEWVQPXSA-N 1 2 317.393 -0.030 20 30 DBEDLO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CC#CC)C[C@@H]1n1ccnn1 ZINC001128929111 830141908 /nfs/dbraw/zinc/14/19/08/830141908.db2.gz BWFDWQMFHIRDSS-IJEWVQPXSA-N 1 2 317.393 -0.030 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)CO[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129004508 830148639 /nfs/dbraw/zinc/14/86/39/830148639.db2.gz RNHGTSRAZCEINQ-MJBXVCDLSA-N 1 2 319.365 -0.942 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)CO[C@H]2CCOC2)[C@@H](n2ccnn2)C1 ZINC001129004508 830148642 /nfs/dbraw/zinc/14/86/42/830148642.db2.gz RNHGTSRAZCEINQ-MJBXVCDLSA-N 1 2 319.365 -0.942 20 30 DBEDLO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC#C)C[C@@H]1n1ccnn1 ZINC001128999197 830148987 /nfs/dbraw/zinc/14/89/87/830148987.db2.gz SNLIUEPVNNRPIA-KGLIPLIRSA-N 1 2 301.350 -0.707 20 30 DBEDLO C#CCOCCC(=O)N[C@@H]1C[N@@H+](CC#C)C[C@@H]1n1ccnn1 ZINC001128999197 830148988 /nfs/dbraw/zinc/14/89/88/830148988.db2.gz SNLIUEPVNNRPIA-KGLIPLIRSA-N 1 2 301.350 -0.707 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)CC)[C@@H](n2ccnn2)C1 ZINC001129009487 830149148 /nfs/dbraw/zinc/14/91/48/830149148.db2.gz CDQMRHCLOJCOBH-UPJWGTAASA-N 1 2 318.381 -0.833 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)CC)[C@@H](n2ccnn2)C1 ZINC001129009487 830149152 /nfs/dbraw/zinc/14/91/52/830149152.db2.gz CDQMRHCLOJCOBH-UPJWGTAASA-N 1 2 318.381 -0.833 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)CC)[C@@H](n2ccnn2)C1 ZINC001129009488 830149308 /nfs/dbraw/zinc/14/93/08/830149308.db2.gz CDQMRHCLOJCOBH-XQQFMLRXSA-N 1 2 318.381 -0.833 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)CC)[C@@H](n2ccnn2)C1 ZINC001129009488 830149314 /nfs/dbraw/zinc/14/93/14/830149314.db2.gz CDQMRHCLOJCOBH-XQQFMLRXSA-N 1 2 318.381 -0.833 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)C[C@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001129360277 830175543 /nfs/dbraw/zinc/17/55/43/830175543.db2.gz XXEJWMYLXYUNMM-MJBXVCDLSA-N 1 2 305.382 -0.075 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)COC)[C@@H](n2ccnn2)C1 ZINC001129360277 830175547 /nfs/dbraw/zinc/17/55/47/830175547.db2.gz XXEJWMYLXYUNMM-MJBXVCDLSA-N 1 2 305.382 -0.075 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)COCCOCC)[C@@H](n2ccnn2)C1 ZINC001129471108 830182636 /nfs/dbraw/zinc/18/26/36/830182636.db2.gz UDCBAPZZNVBUDU-KGLIPLIRSA-N 1 2 321.381 -0.694 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COCCOCC)[C@@H](n2ccnn2)C1 ZINC001129471108 830182640 /nfs/dbraw/zinc/18/26/40/830182640.db2.gz UDCBAPZZNVBUDU-KGLIPLIRSA-N 1 2 321.381 -0.694 20 30 DBEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)COCC)n[nH]1 ZINC001130188012 830279162 /nfs/dbraw/zinc/27/91/62/830279162.db2.gz UUEGOFQLAYJETI-RYUDHWBXSA-N 1 2 321.381 -0.447 20 30 DBEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)CC(N)=O)CC1 ZINC001131371952 830463684 /nfs/dbraw/zinc/46/36/84/830463684.db2.gz TUXQQURLKLENGH-ZDUSSCGKSA-N 1 2 324.425 -0.276 20 30 DBEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)CC(N)=O)CC1 ZINC001131371952 830463687 /nfs/dbraw/zinc/46/36/87/830463687.db2.gz TUXQQURLKLENGH-ZDUSSCGKSA-N 1 2 324.425 -0.276 20 30 DBEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)CC(N)=O)CC1 ZINC001131371912 830464162 /nfs/dbraw/zinc/46/41/62/830464162.db2.gz ROXJHGKRRUNRTL-LBPRGKRZSA-N 1 2 310.398 -0.666 20 30 DBEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)CC(N)=O)CC1 ZINC001131371912 830464165 /nfs/dbraw/zinc/46/41/65/830464165.db2.gz ROXJHGKRRUNRTL-LBPRGKRZSA-N 1 2 310.398 -0.666 20 30 DBEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CC(=O)N(C)C)CC1 ZINC001131385646 830466725 /nfs/dbraw/zinc/46/67/25/830466725.db2.gz JHOHTGUIJINYBL-UHFFFAOYSA-N 1 2 310.398 -0.699 20 30 DBEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CC(=O)N(C)C)CC1 ZINC001131385646 830466727 /nfs/dbraw/zinc/46/67/27/830466727.db2.gz JHOHTGUIJINYBL-UHFFFAOYSA-N 1 2 310.398 -0.699 20 30 DBEDLO C[C@H]1CN(C(=O)C2CC2)C[C@@]2(CC[N@H+](CC(=O)NCC#N)C2)O1 ZINC001131612215 830489084 /nfs/dbraw/zinc/48/90/84/830489084.db2.gz CVXDKVGFZJHCIU-LRDDRELGSA-N 1 2 320.393 -0.272 20 30 DBEDLO C[C@H]1CN(C(=O)C2CC2)C[C@@]2(CC[N@@H+](CC(=O)NCC#N)C2)O1 ZINC001131612215 830489088 /nfs/dbraw/zinc/48/90/88/830489088.db2.gz CVXDKVGFZJHCIU-LRDDRELGSA-N 1 2 320.393 -0.272 20 30 DBEDLO C#CCOCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001131662744 830498603 /nfs/dbraw/zinc/49/86/03/830498603.db2.gz XHJHRTXVVKDWML-XJKSGUPXSA-N 1 2 323.393 -0.797 20 30 DBEDLO C#CCOCCC(=O)N1C[C@H](C)O[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001131662744 830498607 /nfs/dbraw/zinc/49/86/07/830498607.db2.gz XHJHRTXVVKDWML-XJKSGUPXSA-N 1 2 323.393 -0.797 20 30 DBEDLO CC(C)C#CC(=O)N1C[C@@H](C)O[C@@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001131662007 830499021 /nfs/dbraw/zinc/49/90/21/830499021.db2.gz RYDMINQKONXRKE-CZUORRHYSA-N 1 2 307.394 -0.177 20 30 DBEDLO CC(C)C#CC(=O)N1C[C@@H](C)O[C@@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001131662007 830499036 /nfs/dbraw/zinc/49/90/36/830499036.db2.gz RYDMINQKONXRKE-CZUORRHYSA-N 1 2 307.394 -0.177 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2cnn(C)c2)CC[C@@H]1C ZINC001131772926 830524588 /nfs/dbraw/zinc/52/45/88/830524588.db2.gz VRWCFVDSDSLXIX-GXTWGEPZSA-N 1 2 317.393 -0.248 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cnn(C)c2)CC[C@@H]1C ZINC001131772926 830524597 /nfs/dbraw/zinc/52/45/97/830524597.db2.gz VRWCFVDSDSLXIX-GXTWGEPZSA-N 1 2 317.393 -0.248 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccn[nH]2)CC[C@@H]1C ZINC001131813970 830535552 /nfs/dbraw/zinc/53/55/52/830535552.db2.gz SLSWQZBNYWUAIT-RYUDHWBXSA-N 1 2 303.366 -0.258 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccn[nH]2)CC[C@@H]1C ZINC001131813970 830535559 /nfs/dbraw/zinc/53/55/59/830535559.db2.gz SLSWQZBNYWUAIT-RYUDHWBXSA-N 1 2 303.366 -0.258 20 30 DBEDLO C[C@@H]1CC[C@H](NC(=O)c2cn[nH]c2)C[N@@H+]1CC(=O)NCC#N ZINC001131826268 830538590 /nfs/dbraw/zinc/53/85/90/830538590.db2.gz OOSFUPOQWMUEOC-PWSUYJOCSA-N 1 2 304.354 -0.368 20 30 DBEDLO C[C@@H]1CC[C@H](NC(=O)c2cn[nH]c2)C[N@H+]1CC(=O)NCC#N ZINC001131826268 830538604 /nfs/dbraw/zinc/53/86/04/830538604.db2.gz OOSFUPOQWMUEOC-PWSUYJOCSA-N 1 2 304.354 -0.368 20 30 DBEDLO C=C[C@@](C)(CCOC)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001131867152 830546717 /nfs/dbraw/zinc/54/67/17/830546717.db2.gz KRWFYQDXXOOYOJ-AWEZNQCLSA-N 1 2 311.386 -0.457 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cn(C)cn2)CC[C@H]1C ZINC001131955722 830563817 /nfs/dbraw/zinc/56/38/17/830563817.db2.gz PSZYWLNDSMPSCZ-OLZOCXBDSA-N 1 2 317.393 -0.248 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)cn2)CC[C@H]1C ZINC001131955722 830563822 /nfs/dbraw/zinc/56/38/22/830563822.db2.gz PSZYWLNDSMPSCZ-OLZOCXBDSA-N 1 2 317.393 -0.248 20 30 DBEDLO C[C@H]1CC[C@@H](NC(=O)C2=CCOCC2)C[N@@H+]1CC(=O)NCC#N ZINC001131981430 830570420 /nfs/dbraw/zinc/57/04/20/830570420.db2.gz WHKOLOZXBPIWRC-GXTWGEPZSA-N 1 2 320.393 -0.058 20 30 DBEDLO C[C@H]1CC[C@@H](NC(=O)C2=CCOCC2)C[N@H+]1CC(=O)NCC#N ZINC001131981430 830570431 /nfs/dbraw/zinc/57/04/31/830570431.db2.gz WHKOLOZXBPIWRC-GXTWGEPZSA-N 1 2 320.393 -0.058 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)CC[C@H]1C ZINC001131998701 830572908 /nfs/dbraw/zinc/57/29/08/830572908.db2.gz HYDCLKNQDOIIFL-NEPJUHHUSA-N 1 2 318.381 -0.853 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)CC[C@H]1C ZINC001131998701 830572914 /nfs/dbraw/zinc/57/29/14/830572914.db2.gz HYDCLKNQDOIIFL-NEPJUHHUSA-N 1 2 318.381 -0.853 20 30 DBEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cnnn2C)CC[C@H]1C ZINC001132006540 830574702 /nfs/dbraw/zinc/57/47/02/830574702.db2.gz MJUKRIFEJQACEM-NEPJUHHUSA-N 1 2 320.397 -0.300 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cnnn2C)CC[C@H]1C ZINC001132006540 830574707 /nfs/dbraw/zinc/57/47/07/830574707.db2.gz MJUKRIFEJQACEM-NEPJUHHUSA-N 1 2 320.397 -0.300 20 30 DBEDLO C[C@H]1CC[C@H](NC(=O)CC2(O)CCC2)C[N@@H+]1CC(=O)NCC#N ZINC001132017394 830577841 /nfs/dbraw/zinc/57/78/41/830577841.db2.gz OSLKISQWBQVXBP-STQMWFEESA-N 1 2 322.409 -0.100 20 30 DBEDLO C[C@H]1CC[C@H](NC(=O)CC2(O)CCC2)C[N@H+]1CC(=O)NCC#N ZINC001132017394 830577848 /nfs/dbraw/zinc/57/78/48/830577848.db2.gz OSLKISQWBQVXBP-STQMWFEESA-N 1 2 322.409 -0.100 20 30 DBEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)CC[C@H]1C ZINC001132214025 830607569 /nfs/dbraw/zinc/60/75/69/830607569.db2.gz AOEZGXKSIWONDP-PWSUYJOCSA-N 1 2 320.397 -0.002 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2[nH]nnc2C)CC[C@H]1C ZINC001132214025 830607573 /nfs/dbraw/zinc/60/75/73/830607573.db2.gz AOEZGXKSIWONDP-PWSUYJOCSA-N 1 2 320.397 -0.002 20 30 DBEDLO C[C@@H]1CC[C@H](NC(=O)Cc2cnoc2)C[N@@H+]1CC(=O)NCC#N ZINC001132235939 830611084 /nfs/dbraw/zinc/61/10/84/830611084.db2.gz VPRQYSVYYXTYLP-YPMHNXCESA-N 1 2 319.365 -0.174 20 30 DBEDLO C[C@@H]1CC[C@H](NC(=O)Cc2cnoc2)C[N@H+]1CC(=O)NCC#N ZINC001132235939 830611087 /nfs/dbraw/zinc/61/10/87/830611087.db2.gz VPRQYSVYYXTYLP-YPMHNXCESA-N 1 2 319.365 -0.174 20 30 DBEDLO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132253567 830614883 /nfs/dbraw/zinc/61/48/83/830614883.db2.gz WGYQFOKTQXPFLN-STQMWFEESA-N 1 2 322.409 -0.359 20 30 DBEDLO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001132253567 830614887 /nfs/dbraw/zinc/61/48/87/830614887.db2.gz WGYQFOKTQXPFLN-STQMWFEESA-N 1 2 322.409 -0.359 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccnnc2)CC[C@H]1C ZINC001132322250 830626248 /nfs/dbraw/zinc/62/62/48/830626248.db2.gz QLTNFYVAOLRKGC-OCCSQVGLSA-N 1 2 315.377 -0.191 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccnnc2)CC[C@H]1C ZINC001132322250 830626250 /nfs/dbraw/zinc/62/62/50/830626250.db2.gz QLTNFYVAOLRKGC-OCCSQVGLSA-N 1 2 315.377 -0.191 20 30 DBEDLO COCC#CC[N@@H+]1C[C@H](NC(=O)Cc2nnc[nH]2)CC[C@H]1C ZINC001132416411 830653473 /nfs/dbraw/zinc/65/34/73/830653473.db2.gz FCOAATAAMRWRMR-CHWSQXEVSA-N 1 2 305.382 -0.034 20 30 DBEDLO COCC#CC[N@H+]1C[C@H](NC(=O)Cc2nnc[nH]2)CC[C@H]1C ZINC001132416411 830653475 /nfs/dbraw/zinc/65/34/75/830653475.db2.gz FCOAATAAMRWRMR-CHWSQXEVSA-N 1 2 305.382 -0.034 20 30 DBEDLO Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001132547258 830668133 /nfs/dbraw/zinc/66/81/33/830668133.db2.gz ZCEHYRUJQQVUKD-JQWIXIFHSA-N 1 2 318.381 -0.059 20 30 DBEDLO Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001132547258 830668138 /nfs/dbraw/zinc/66/81/38/830668138.db2.gz ZCEHYRUJQQVUKD-JQWIXIFHSA-N 1 2 318.381 -0.059 20 30 DBEDLO C#CCC[NH+]1CCN(C(=O)c2ccnc(S(N)(=O)=O)c2)CC1 ZINC001136498972 831162951 /nfs/dbraw/zinc/16/29/51/831162951.db2.gz GHWPEEXAAUQZDP-UHFFFAOYSA-N 1 2 322.390 -0.490 20 30 DBEDLO C#CCNC(=O)C[NH2+]CCNC(=O)c1cccc2nc(C)[nH]c21 ZINC001146704778 831292516 /nfs/dbraw/zinc/29/25/16/831292516.db2.gz IROOIVIYQZEMIT-UHFFFAOYSA-N 1 2 313.361 -0.060 20 30 DBEDLO CN1CCN(C)C(=C(O)NC(=[NH2+])c2ccc(C(N)=O)cc2)C1 ZINC001185267132 833788837 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ZINC001267624230 835545147 /nfs/dbraw/zinc/54/51/47/835545147.db2.gz WCLNXNGGBBNGNO-OLZOCXBDSA-N 1 2 318.381 -0.831 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001267624230 835545151 /nfs/dbraw/zinc/54/51/51/835545151.db2.gz WCLNXNGGBBNGNO-OLZOCXBDSA-N 1 2 318.381 -0.831 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001267634381 835546057 /nfs/dbraw/zinc/54/60/57/835546057.db2.gz VRGDSBFMMVXIEC-LBPRGKRZSA-N 1 2 317.393 -0.084 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001267634381 835546063 /nfs/dbraw/zinc/54/60/63/835546063.db2.gz VRGDSBFMMVXIEC-LBPRGKRZSA-N 1 2 317.393 -0.084 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)COCCC=C)C1 ZINC001267634953 835546194 /nfs/dbraw/zinc/54/61/94/835546194.db2.gz XAOZLRIHIGSCPR-AWEZNQCLSA-N 1 2 307.394 -0.091 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)COCCC=C)C1 ZINC001267634953 835546199 /nfs/dbraw/zinc/54/61/99/835546199.db2.gz XAOZLRIHIGSCPR-AWEZNQCLSA-N 1 2 307.394 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/nfs/dbraw/zinc/56/57/86/835565786.db2.gz HSRZMLSVHRBXHQ-CHWSQXEVSA-N 1 2 307.394 -0.401 20 30 DBEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[C@H]2CCOC2)C1 ZINC001267690836 835565886 /nfs/dbraw/zinc/56/58/86/835565886.db2.gz HSRZMLSVHRBXHQ-QWHCGFSZSA-N 1 2 307.394 -0.401 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)c2ocnc2C)C1 ZINC001267721220 835576145 /nfs/dbraw/zinc/57/61/45/835576145.db2.gz OANOPKGMTWMJJS-NEPJUHHUSA-N 1 2 304.350 -0.075 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ocnc2C)C1 ZINC001267721220 835576154 /nfs/dbraw/zinc/57/61/54/835576154.db2.gz OANOPKGMTWMJJS-NEPJUHHUSA-N 1 2 304.350 -0.075 20 30 DBEDLO C#CCOCCC(=O)N[C@H]1CC[N@@H+](CCCS(C)(=O)=O)C1 ZINC001267723409 835576876 /nfs/dbraw/zinc/57/68/76/835576876.db2.gz BLHAFEKQVQFLNB-ZDUSSCGKSA-N 1 2 316.423 -0.349 20 30 DBEDLO C#CCOCCC(=O)N[C@H]1CC[N@H+](CCCS(C)(=O)=O)C1 ZINC001267723409 835576888 /nfs/dbraw/zinc/57/68/88/835576888.db2.gz BLHAFEKQVQFLNB-ZDUSSCGKSA-N 1 2 316.423 -0.349 20 30 DBEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)c(=O)[nH]1 ZINC001267728459 835579810 /nfs/dbraw/zinc/57/98/10/835579810.db2.gz DUXXYKDDOUEOFC-NSHDSACASA-N 1 2 317.349 -0.461 20 30 DBEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)c(=O)[nH]1 ZINC001267728459 835579812 /nfs/dbraw/zinc/57/98/12/835579812.db2.gz DUXXYKDDOUEOFC-NSHDSACASA-N 1 2 317.349 -0.461 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001267734143 835580417 /nfs/dbraw/zinc/58/04/17/835580417.db2.gz VMMUBRWOCMTNTE-NSHDSACASA-N 1 2 323.372 -0.026 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nn(C)c2F)C1 ZINC001267734143 835580425 /nfs/dbraw/zinc/58/04/25/835580425.db2.gz VMMUBRWOCMTNTE-NSHDSACASA-N 1 2 323.372 -0.026 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC001267736942 835582361 /nfs/dbraw/zinc/58/23/61/835582361.db2.gz QPIWGSJOUDIHJU-DGCLKSJQSA-N 1 2 303.366 -0.638 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC001267736942 835582366 /nfs/dbraw/zinc/58/23/66/835582366.db2.gz QPIWGSJOUDIHJU-DGCLKSJQSA-N 1 2 303.366 -0.638 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)OCC2CC2)C1 ZINC001267739064 835582913 /nfs/dbraw/zinc/58/29/13/835582913.db2.gz WRVBELCBLRMBGV-TZMCWYRMSA-N 1 2 307.394 -0.259 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)OCC2CC2)C1 ZINC001267739064 835582918 /nfs/dbraw/zinc/58/29/18/835582918.db2.gz WRVBELCBLRMBGV-TZMCWYRMSA-N 1 2 307.394 -0.259 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001267737352 835582974 /nfs/dbraw/zinc/58/29/74/835582974.db2.gz IDYZYRLXRRAOJF-DGCLKSJQSA-N 1 2 317.393 -0.086 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001267737352 835582977 /nfs/dbraw/zinc/58/29/77/835582977.db2.gz IDYZYRLXRRAOJF-DGCLKSJQSA-N 1 2 317.393 -0.086 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2ccnn2CC)C1 ZINC001267740624 835584785 /nfs/dbraw/zinc/58/47/85/835584785.db2.gz NDVQZDKJOCFMQL-CHWSQXEVSA-N 1 2 317.393 -0.155 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccnn2CC)C1 ZINC001267740624 835584791 /nfs/dbraw/zinc/58/47/91/835584791.db2.gz NDVQZDKJOCFMQL-CHWSQXEVSA-N 1 2 317.393 -0.155 20 30 DBEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267749971 835587295 /nfs/dbraw/zinc/58/72/95/835587295.db2.gz RDLMJWHZWPJJLE-IPYPFGDCSA-N 1 2 320.393 -0.202 20 30 DBEDLO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267749971 835587298 /nfs/dbraw/zinc/58/72/98/835587298.db2.gz RDLMJWHZWPJJLE-IPYPFGDCSA-N 1 2 320.393 -0.202 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC001267758623 835589201 /nfs/dbraw/zinc/58/92/01/835589201.db2.gz LILCQTZSWHGAGM-GFCCVEGCSA-N 1 2 305.382 -0.131 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC001267758623 835589206 /nfs/dbraw/zinc/58/92/06/835589206.db2.gz LILCQTZSWHGAGM-GFCCVEGCSA-N 1 2 305.382 -0.131 20 30 DBEDLO CN(C(=O)Cn1cccn1)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267756878 835590001 /nfs/dbraw/zinc/59/00/01/835590001.db2.gz OKDFNTGIRAEXMQ-GFCCVEGCSA-N 1 2 304.354 -0.944 20 30 DBEDLO CN(C(=O)Cn1cccn1)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267756878 835590004 /nfs/dbraw/zinc/59/00/04/835590004.db2.gz OKDFNTGIRAEXMQ-GFCCVEGCSA-N 1 2 304.354 -0.944 20 30 DBEDLO C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001267764371 835591374 /nfs/dbraw/zinc/59/13/74/835591374.db2.gz ODACJWCJESSCOP-TZMCWYRMSA-N 1 2 318.439 -0.109 20 30 DBEDLO C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001267764371 835591368 /nfs/dbraw/zinc/59/13/68/835591368.db2.gz ODACJWCJESSCOP-TZMCWYRMSA-N 1 2 318.439 -0.109 20 30 DBEDLO CCn1nncc1C(=O)N(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267761338 835591569 /nfs/dbraw/zinc/59/15/69/835591569.db2.gz GIRRJZKLOXKCRD-NSHDSACASA-N 1 2 319.369 -0.916 20 30 DBEDLO CCn1nncc1C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267761338 835591579 /nfs/dbraw/zinc/59/15/79/835591579.db2.gz GIRRJZKLOXKCRD-NSHDSACASA-N 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APDALYIGYJPBLB-JSGCOSHPSA-N 1 2 322.409 -0.169 20 30 DBEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001495852807 1016754580 /nfs/dbraw/zinc/75/45/80/1016754580.db2.gz BBCKSPMYKWEKOS-LBPRGKRZSA-N 1 2 322.365 -0.185 20 30 DBEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)c2cnc[nH]c2=O)C1 ZINC001495852807 1016754596 /nfs/dbraw/zinc/75/45/96/1016754596.db2.gz BBCKSPMYKWEKOS-LBPRGKRZSA-N 1 2 322.365 -0.185 20 30 DBEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCNC(=O)COC)C1 ZINC001495851083 1016754928 /nfs/dbraw/zinc/75/49/28/1016754928.db2.gz VRSPRQXEOWRVHY-ZDUSSCGKSA-N 1 2 313.398 -0.468 20 30 DBEDLO C=C(C)C[N@H+]1CCO[C@@H](CNC(=O)CCNC(=O)COC)C1 ZINC001495851083 1016754939 /nfs/dbraw/zinc/75/49/39/1016754939.db2.gz VRSPRQXEOWRVHY-ZDUSSCGKSA-N 1 2 313.398 -0.468 20 30 DBEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC001438202908 1003373333 /nfs/dbraw/zinc/37/33/33/1003373333.db2.gz ZQDDJSSUINMHQR-DGCLKSJQSA-N 1 2 308.382 -0.368 20 30 DBEDLO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC001438202908 1003373342 /nfs/dbraw/zinc/37/33/42/1003373342.db2.gz ZQDDJSSUINMHQR-DGCLKSJQSA-N 1 2 308.382 -0.368 20 30 DBEDLO C[C@H](C#N)C(=O)N(C)C[C@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001428248877 1003804340 /nfs/dbraw/zinc/80/43/40/1003804340.db2.gz IVRVOPLNCJHDSL-DGCLKSJQSA-N 1 2 321.381 -0.552 20 30 DBEDLO Cn1nnc(C[NH2+]C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C2CC2)n1 ZINC001439462905 1004003159 /nfs/dbraw/zinc/00/31/59/1004003159.db2.gz PVJQYAKUVAQSSW-GFCCVEGCSA-N 1 2 314.353 -0.292 20 30 DBEDLO Cn1nnnc1C[NH2+]C1(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC001439605736 1004069640 /nfs/dbraw/zinc/06/96/40/1004069640.db2.gz SDIMHQCIWOQLHG-UHFFFAOYSA-N 1 2 300.326 -0.538 20 30 DBEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)CCC[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001439934889 1004151281 /nfs/dbraw/zinc/15/12/81/1004151281.db2.gz NPZHMHRITBGTMC-IAQYHMDHSA-N 1 2 320.397 -0.014 20 30 DBEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001439934889 1004151285 /nfs/dbraw/zinc/15/12/85/1004151285.db2.gz NPZHMHRITBGTMC-IAQYHMDHSA-N 1 2 320.397 -0.014 20 30 DBEDLO CCN(CCC#N)C(=O)C[N@H+](C)CCNC(=O)c1cnns1 ZINC001418446036 1004395608 /nfs/dbraw/zinc/39/56/08/1004395608.db2.gz KQIFCXRRJYLGGT-UHFFFAOYSA-N 1 2 324.410 -0.038 20 30 DBEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CCNC(=O)c1cnns1 ZINC001418446036 1004395614 /nfs/dbraw/zinc/39/56/14/1004395614.db2.gz KQIFCXRRJYLGGT-UHFFFAOYSA-N 1 2 324.410 -0.038 20 30 DBEDLO CC(C)C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1[nH]ncc1F ZINC001496285319 1016883047 /nfs/dbraw/zinc/88/30/47/1016883047.db2.gz DWJPIMHPCDUMDE-SNVBAGLBSA-N 1 2 324.360 -0.077 20 30 DBEDLO C[C@@H](C#N)C(=O)NCC1C[NH+](CC(=O)NC[C@@H]2CCOC2)C1 ZINC001419009946 1004759754 /nfs/dbraw/zinc/75/97/54/1004759754.db2.gz IASWURWDOAMRQP-RYUDHWBXSA-N 1 2 308.382 -0.653 20 30 DBEDLO C[C@H](C(=O)N(C)C)[NH+]1CCN(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001419131072 1004814871 /nfs/dbraw/zinc/81/48/71/1004814871.db2.gz POLBTDVXHWIPOR-QWHCGFSZSA-N 1 2 309.414 -0.643 20 30 DBEDLO C=C(Cl)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001420569459 1005306908 /nfs/dbraw/zinc/30/69/08/1005306908.db2.gz NBQRECLPZSINJY-VIFPVBQESA-N 1 2 314.777 -0.434 20 30 DBEDLO C=C(Cl)C[N@H+](C)C[C@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001420569459 1005306912 /nfs/dbraw/zinc/30/69/12/1005306912.db2.gz NBQRECLPZSINJY-VIFPVBQESA-N 1 2 314.777 -0.434 20 30 DBEDLO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001440924568 1006365573 /nfs/dbraw/zinc/36/55/73/1006365573.db2.gz ZFYYVNKPZOBAGG-VIFPVBQESA-N 1 2 317.353 -0.442 20 30 DBEDLO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001440924568 1006365582 /nfs/dbraw/zinc/36/55/82/1006365582.db2.gz ZFYYVNKPZOBAGG-VIFPVBQESA-N 1 2 317.353 -0.442 20 30 DBEDLO C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001440924706 1006365851 /nfs/dbraw/zinc/36/58/51/1006365851.db2.gz ZPFJTXICIYHAMY-SECBINFHSA-N 1 2 317.353 -0.442 20 30 DBEDLO C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001440924706 1006365857 /nfs/dbraw/zinc/36/58/57/1006365857.db2.gz ZPFJTXICIYHAMY-SECBINFHSA-N 1 2 317.353 -0.442 20 30 DBEDLO C[C@H](C#N)C(=O)NCCN1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001441048314 1006445568 /nfs/dbraw/zinc/44/55/68/1006445568.db2.gz XUXNFDUQQHASDB-CYBMUJFWSA-N 1 2 304.398 -0.186 20 30 DBEDLO CCc1cc(C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N)n(C)n1 ZINC001496806114 1017056164 /nfs/dbraw/zinc/05/61/64/1017056164.db2.gz CORUEWPFKYPAOF-UHFFFAOYSA-N 1 2 320.397 -0.374 20 30 DBEDLO CCc1cc(C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N)n(C)n1 ZINC001496806114 1017056173 /nfs/dbraw/zinc/05/61/73/1017056173.db2.gz CORUEWPFKYPAOF-UHFFFAOYSA-N 1 2 320.397 -0.374 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]Cc1ncnn1C(C)(C)C ZINC001441679009 1006804469 /nfs/dbraw/zinc/80/44/69/1006804469.db2.gz JNAJMHKUHIYCOK-QWRGUYRKSA-N 1 2 308.386 -0.241 20 30 DBEDLO C[N@H+](CCCS(C)(=O)=O)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001442370069 1007380149 /nfs/dbraw/zinc/38/01/49/1007380149.db2.gz CADUTFPMKYXDCR-UHFFFAOYSA-N 1 2 312.395 -0.017 20 30 DBEDLO C[N@@H+](CCCS(C)(=O)=O)CCNC(=O)c1cc(C#N)c[nH]1 ZINC001442370069 1007380170 /nfs/dbraw/zinc/38/01/70/1007380170.db2.gz CADUTFPMKYXDCR-UHFFFAOYSA-N 1 2 312.395 -0.017 20 30 DBEDLO CCN(CCC#N)C(=O)C[N@H+](C)CCNC(=O)c1cncn1C ZINC001442462405 1007460335 /nfs/dbraw/zinc/46/03/35/1007460335.db2.gz JWDJCJWBHNJILE-UHFFFAOYSA-N 1 2 320.397 -0.156 20 30 DBEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CCNC(=O)c1cncn1C ZINC001442462405 1007460360 /nfs/dbraw/zinc/46/03/60/1007460360.db2.gz JWDJCJWBHNJILE-UHFFFAOYSA-N 1 2 320.397 -0.156 20 30 DBEDLO C=C(Cl)C[N@H+](C)CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001442536761 1007535240 /nfs/dbraw/zinc/53/52/40/1007535240.db2.gz QZQGNAQZGUGWTQ-JTQLQIEISA-N 1 2 304.778 -0.833 20 30 DBEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001442536761 1007535272 /nfs/dbraw/zinc/53/52/72/1007535272.db2.gz QZQGNAQZGUGWTQ-JTQLQIEISA-N 1 2 304.778 -0.833 20 30 DBEDLO CCN(CCC#N)C(=O)C[N@H+](C)CCNC(=O)c1ccnnc1 ZINC001442546274 1007547649 /nfs/dbraw/zinc/54/76/49/1007547649.db2.gz WOGDXXSXVCCKAF-UHFFFAOYSA-N 1 2 318.381 -0.100 20 30 DBEDLO CCN(CCC#N)C(=O)C[N@@H+](C)CCNC(=O)c1ccnnc1 ZINC001442546274 1007547658 /nfs/dbraw/zinc/54/76/58/1007547658.db2.gz WOGDXXSXVCCKAF-UHFFFAOYSA-N 1 2 318.381 -0.100 20 30 DBEDLO CNC(=O)NC(=O)C[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)C#N)CC2 ZINC001444548085 1008176534 /nfs/dbraw/zinc/17/65/34/1008176534.db2.gz QWOLJRLLOXWAHD-NSHDSACASA-N 1 2 321.381 -0.474 20 30 DBEDLO C[C@H](C#N)C(=O)N(C)C[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001444732725 1008234351 /nfs/dbraw/zinc/23/43/51/1008234351.db2.gz FQWXAJFQUYRJQX-NEPJUHHUSA-N 1 2 307.354 -0.632 20 30 DBEDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1cnc(C#N)c(C#N)n1 ZINC001458227562 1008824585 /nfs/dbraw/zinc/82/45/85/1008824585.db2.gz CFQJBFPMMYUTCH-LLVKDONJSA-N 1 2 302.338 -0.651 20 30 DBEDLO C=C(Cl)C[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001447020238 1008877406 /nfs/dbraw/zinc/87/74/06/1008877406.db2.gz OIYXCHNWMUHKGW-GWCFXTLKSA-N 1 2 316.789 -0.637 20 30 DBEDLO C=C(Cl)C[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CNC(=O)N2)C1 ZINC001447020238 1008877407 /nfs/dbraw/zinc/87/74/07/1008877407.db2.gz OIYXCHNWMUHKGW-GWCFXTLKSA-N 1 2 316.789 -0.637 20 30 DBEDLO C#CCC[NH+]1CCN(C(=O)c2cn(C(F)(F)CO)nn2)CC1 ZINC001464611168 1009329847 /nfs/dbraw/zinc/32/98/47/1009329847.db2.gz IGCHYMCOCMDNES-UHFFFAOYSA-N 1 2 313.308 -0.399 20 30 DBEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001448038628 1009479872 /nfs/dbraw/zinc/47/98/72/1009479872.db2.gz IORZRPBBOPGOMP-LLVKDONJSA-N 1 2 321.385 -0.383 20 30 DBEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cn[nH]n1 ZINC001448038628 1009479903 /nfs/dbraw/zinc/47/99/03/1009479903.db2.gz IORZRPBBOPGOMP-LLVKDONJSA-N 1 2 321.385 -0.383 20 30 DBEDLO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)CNC(=O)c1cnn[nH]1 ZINC001448038628 1009479934 /nfs/dbraw/zinc/47/99/34/1009479934.db2.gz IORZRPBBOPGOMP-LLVKDONJSA-N 1 2 321.385 -0.383 20 30 DBEDLO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1cnn[nH]1 ZINC001448038628 1009479959 /nfs/dbraw/zinc/47/99/59/1009479959.db2.gz IORZRPBBOPGOMP-LLVKDONJSA-N 1 2 321.385 -0.383 20 30 DBEDLO COc1cc(C[NH2+][C@@H](CO)CNC(=O)c2ccc(C#N)[nH]2)on1 ZINC001448815300 1009891680 /nfs/dbraw/zinc/89/16/80/1009891680.db2.gz IILNFHHYEDDSMH-SNVBAGLBSA-N 1 2 319.321 -0.237 20 30 DBEDLO COC(=O)[C@]1(O)CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC001473747105 1009944833 /nfs/dbraw/zinc/94/48/33/1009944833.db2.gz LEVZKZZWKYUTJO-INIZCTEOSA-N 1 2 317.345 -0.216 20 30 DBEDLO COC(=O)[C@]1(O)CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC001473747105 1009944845 /nfs/dbraw/zinc/94/48/45/1009944845.db2.gz LEVZKZZWKYUTJO-INIZCTEOSA-N 1 2 317.345 -0.216 20 30 DBEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C(N)=O ZINC001479240342 1010215377 /nfs/dbraw/zinc/21/53/77/1010215377.db2.gz FFHKCHLUAVBOFS-STQMWFEESA-N 1 2 324.425 -0.183 20 30 DBEDLO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(N)=O ZINC001479240342 1010215397 /nfs/dbraw/zinc/21/53/97/1010215397.db2.gz FFHKCHLUAVBOFS-STQMWFEESA-N 1 2 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C=CCCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NC)C2)nn1 ZINC001033483765 814518456 /nfs/dbraw/zinc/51/84/56/814518456.db2.gz LOXDVWUZBUVIEG-GFCCVEGCSA-N 1 2 320.397 -0.254 20 30 DBEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NC)C2)nc1 ZINC001033595018 814550442 /nfs/dbraw/zinc/55/04/42/814550442.db2.gz YYBASXQECIAVBZ-ZDUSSCGKSA-N 1 2 300.362 -0.045 20 30 DBEDLO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC(=O)NC)C2)nc1 ZINC001033595018 814550448 /nfs/dbraw/zinc/55/04/48/814550448.db2.gz YYBASXQECIAVBZ-ZDUSSCGKSA-N 1 2 300.362 -0.045 20 30 DBEDLO C=CCn1cc(C(=O)N(CC)[C@@H]2CC[N@H+](CC(N)=O)C2)nn1 ZINC001033980551 814617764 /nfs/dbraw/zinc/61/77/64/814617764.db2.gz VHPPJLSRSODOSB-LLVKDONJSA-N 1 2 306.370 -0.514 20 30 DBEDLO C=CCn1cc(C(=O)N(CC)[C@@H]2CC[N@@H+](CC(N)=O)C2)nn1 ZINC001033980551 814617767 /nfs/dbraw/zinc/61/77/67/814617767.db2.gz VHPPJLSRSODOSB-LLVKDONJSA-N 1 2 306.370 -0.514 20 30 DBEDLO C=C(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(=O)n(C)cn2)C1 ZINC001035401029 814920209 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ZINC001093565851 826142998 /nfs/dbraw/zinc/14/29/98/826142998.db2.gz FDTJMJWIHKNAPN-AWEZNQCLSA-N 1 2 322.409 -0.064 20 30 DBEDLO N#Cc1nccc(NCCNC(=O)[C@H]2CCc3[nH+]ccn3C2)n1 ZINC001093958447 826182835 /nfs/dbraw/zinc/18/28/35/826182835.db2.gz OXNTXXDZNGXBKJ-NSHDSACASA-N 1 2 311.349 -0.243 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3cnccn3)nn2)C1 ZINC001094270744 826214385 /nfs/dbraw/zinc/21/43/85/826214385.db2.gz HJFKFOGELOHMHU-UHFFFAOYSA-N 1 2 311.349 -0.122 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@@H]3C(=O)OC)nn2)C1 ZINC001094279370 826218256 /nfs/dbraw/zinc/21/82/56/826218256.db2.gz JJMYEPHVEOQAHN-OLZOCXBDSA-N 1 2 319.365 -0.254 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCNC3=O)nn2)C1 ZINC001094309960 826227666 /nfs/dbraw/zinc/22/76/66/826227666.db2.gz YYXDOXXTONHVRN-CYBMUJFWSA-N 1 2 318.381 -0.537 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3cccnn3)nn2)C1 ZINC001094329032 826232356 /nfs/dbraw/zinc/23/23/56/826232356.db2.gz AAASFKHTXALCPR-UHFFFAOYSA-N 1 2 311.349 -0.122 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C3=COCCO3)CC2=O)C1 ZINC001094694066 826259218 /nfs/dbraw/zinc/25/92/18/826259218.db2.gz WTRTXZDZYZHJHD-GFCCVEGCSA-N 1 2 321.377 -0.148 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3cccn3)CC2=O)C1 ZINC001094705291 826262600 /nfs/dbraw/zinc/26/26/00/826262600.db2.gz KEEGPUGVZMRUCH-ZDUSSCGKSA-N 1 2 317.393 -0.140 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cc(C)nn3C)CC2=O)C1 ZINC001094714388 826266933 /nfs/dbraw/zinc/26/69/33/826266933.db2.gz VXZFQUYEEIMWTO-LBPRGKRZSA-N 1 2 317.393 -0.071 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cc(C)n(C)n3)CC2=O)C1 ZINC001094713990 826267194 /nfs/dbraw/zinc/26/71/94/826267194.db2.gz NLFFWBTWFFLLGD-LBPRGKRZSA-N 1 2 317.393 -0.071 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cnc(C)[nH]3)CC2=O)C1 ZINC001094715457 826268317 /nfs/dbraw/zinc/26/83/17/826268317.db2.gz MTVXEJUDCNAAKK-NSHDSACASA-N 1 2 303.366 -0.081 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cncnc3)CC2=O)C1 ZINC001094726479 826272346 /nfs/dbraw/zinc/27/23/46/826272346.db2.gz QLOYOPCCWAMXBU-LBPRGKRZSA-N 1 2 301.350 -0.323 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cc(OC)no3)CC2=O)C1 ZINC001094727887 826272990 /nfs/dbraw/zinc/27/29/90/826272990.db2.gz QMFXAKATIYCLKP-SNVBAGLBSA-N 1 2 320.349 -0.116 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)CC2=O)C1 ZINC001094730334 826274253 /nfs/dbraw/zinc/27/42/53/826274253.db2.gz YHBCZUCONQETAU-JQWIXIFHSA-N 1 2 322.365 -0.928 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)Cc3ccnn3C)CC2=O)C1 ZINC001094730667 826274329 /nfs/dbraw/zinc/27/43/29/826274329.db2.gz HKTBXGGCETXXPU-GFCCVEGCSA-N 1 2 317.393 -0.450 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3ccc(C)nn3)CC2=O)C1 ZINC001094735368 826276202 /nfs/dbraw/zinc/27/62/02/826276202.db2.gz LSPOLGZSXNNXJH-LBPRGKRZSA-N 1 2 315.377 -0.014 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)Cc3nnc(C)o3)CC2=O)C1 ZINC001094735995 826276399 /nfs/dbraw/zinc/27/63/99/826276399.db2.gz YXSRLVKAODNBCR-NSHDSACASA-N 1 2 319.365 -0.492 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cn[nH]c(=O)c3)CC2=O)C1 ZINC001094746900 826278570 /nfs/dbraw/zinc/27/85/70/826278570.db2.gz CENGGVMIYCVBJJ-NSHDSACASA-N 1 2 317.349 -0.617 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCCC(=O)N3)CC2=O)C1 ZINC001094747269 826279051 /nfs/dbraw/zinc/27/90/51/826279051.db2.gz NKHLCIWXIFUFIW-WCQYABFASA-N 1 2 320.393 -0.758 20 30 DBEDLO C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)c3cnn[nH]3)CC2=O)C1 ZINC001094754155 826281099 /nfs/dbraw/zinc/28/10/99/826281099.db2.gz ZXUBHDJAYOFHTD-LLVKDONJSA-N 1 2 318.381 -0.214 20 30 DBEDLO C=CCC[NH+]1CC(N2C[C@H](NC(=O)c3cn[nH]n3)CC2=O)C1 ZINC001094755905 826281103 /nfs/dbraw/zinc/28/11/03/826281103.db2.gz JLTKMQPAPBQGEY-SNVBAGLBSA-N 1 2 304.354 -0.604 20 30 DBEDLO C=CCC[NH+]1CC(N2C[C@H](NC(=O)c3cnn[nH]3)CC2=O)C1 ZINC001094755905 826281108 /nfs/dbraw/zinc/28/11/08/826281108.db2.gz JLTKMQPAPBQGEY-SNVBAGLBSA-N 1 2 304.354 -0.604 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@]3(C)CNC(=O)C3)CC2=O)C1 ZINC001094764160 826281943 /nfs/dbraw/zinc/28/19/43/826281943.db2.gz QRHKDKJMWXUWNE-MEDUHNTESA-N 1 2 320.393 -0.900 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@]3(C)CNC(=O)C3)CC2=O)C1 ZINC001094764161 826281996 /nfs/dbraw/zinc/28/19/96/826281996.db2.gz QRHKDKJMWXUWNE-ZBEGNZNMSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3csnn3)CC2=O)C1 ZINC001094766779 826282302 /nfs/dbraw/zinc/28/23/02/826282302.db2.gz NGLJRQZZWOTJFL-VIFPVBQESA-N 1 2 307.379 -0.261 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCNC3=O)CC2=O)C1 ZINC001094768129 826283165 /nfs/dbraw/zinc/28/31/65/826283165.db2.gz POQRYAZMCFTDQA-AAEUAGOBSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3c[nH]nc3C)CC2=O)C1 ZINC001094768134 826283254 /nfs/dbraw/zinc/28/32/54/826283254.db2.gz PPCIXVOLXOYONH-NSHDSACASA-N 1 2 303.366 -0.081 20 30 DBEDLO C=CCOC(=O)N[C@@H]1CCCN(C(=O)C[C@H]([NH3+])C(=O)OC)C1 ZINC001161536261 833031881 /nfs/dbraw/zinc/03/18/81/833031881.db2.gz AUYLEZGSOWZCHN-MNOVXSKESA-N 1 2 313.354 -0.220 20 30 DBEDLO C=C1CC(C)(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)C1 ZINC001094781897 826285633 /nfs/dbraw/zinc/28/56/33/826285633.db2.gz CTMNCVLCIGTAPH-GFCCVEGCSA-N 1 2 307.394 -0.264 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)c3cnn(C)n3)CC2=O)C1 ZINC001094795758 826288570 /nfs/dbraw/zinc/28/85/70/826288570.db2.gz YIQFZNFUUVWQLH-LLVKDONJSA-N 1 2 318.381 -0.594 20 30 DBEDLO C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)c3ncn[nH]3)CC2=O)C1 ZINC001094796797 826289712 /nfs/dbraw/zinc/28/97/12/826289712.db2.gz DPJXAOJBMSONQS-NSHDSACASA-N 1 2 318.381 -0.214 20 30 DBEDLO C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)c3nc[nH]n3)CC2=O)C1 ZINC001094796797 826289716 /nfs/dbraw/zinc/28/97/16/826289716.db2.gz DPJXAOJBMSONQS-NSHDSACASA-N 1 2 318.381 -0.214 20 30 DBEDLO C=CCN1CC(N2C[C@H](NC(=O)Cn3cc[nH+]c3)CC2=O)C1 ZINC001094823530 826295274 /nfs/dbraw/zinc/29/52/74/826295274.db2.gz XKZJAXBQGXYXOK-GFCCVEGCSA-N 1 2 303.366 -0.530 20 30 DBEDLO CC#CCN1CC(N2C[C@H](NC(=O)Cn3cc[nH+]c3)CC2=O)C1 ZINC001094823510 826295520 /nfs/dbraw/zinc/29/55/20/826295520.db2.gz WNYMJSGLRDWQJY-CYBMUJFWSA-N 1 2 315.377 -0.692 20 30 DBEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C2 ZINC001095683586 826339527 /nfs/dbraw/zinc/33/95/27/826339527.db2.gz RFKLLDVGRPNFQR-VWYCJHECSA-N 1 2 323.374 -0.105 20 30 DBEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(S(N)(=O)=O)o1)C2 ZINC001095683586 826339537 /nfs/dbraw/zinc/33/95/37/826339537.db2.gz RFKLLDVGRPNFQR-VWYCJHECSA-N 1 2 323.374 -0.105 20 30 DBEDLO CO[C@@H](C)C(=O)NCC[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC001096270591 826366682 /nfs/dbraw/zinc/36/66/82/826366682.db2.gz AYXBZBVCLGOJKN-LBPRGKRZSA-N 1 2 318.381 -0.379 20 30 DBEDLO COCC(=O)NCC[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC001096266151 826367358 /nfs/dbraw/zinc/36/73/58/826367358.db2.gz GWKIUPJFFNYTDA-UHFFFAOYSA-N 1 2 304.354 -0.767 20 30 DBEDLO CCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098589227 826502589 /nfs/dbraw/zinc/50/25/89/826502589.db2.gz UIULCMITKWZCFS-GFCCVEGCSA-N 1 2 319.369 -0.809 20 30 DBEDLO C=CCNC(=O)[C@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(C)=O)C2)nn1 ZINC001098591470 826503842 /nfs/dbraw/zinc/50/38/42/826503842.db2.gz HRLRJTDRZATZEF-SMDDNHRTSA-N 1 2 320.397 -0.148 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCCO3)C2)nn1 ZINC001098604332 826506327 /nfs/dbraw/zinc/50/63/27/826506327.db2.gz MKCASPRTHKDTOO-UONOGXRCSA-N 1 2 303.366 -0.047 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 ZINC001098636650 826511299 /nfs/dbraw/zinc/51/12/99/826511299.db2.gz CKXIGXSOFUYYJG-CHWSQXEVSA-N 1 2 316.365 -0.947 20 30 DBEDLO C=CCCC(=O)N1CC[C@@H](n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001098634428 826511328 /nfs/dbraw/zinc/51/13/28/826511328.db2.gz RZCHKCFYNZINRN-WCQYABFASA-N 1 2 320.397 -0.019 20 30 DBEDLO C=CCCC(=O)N1CC[C@H](n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001098634429 826511383 /nfs/dbraw/zinc/51/13/83/826511383.db2.gz RZCHKCFYNZINRN-YPMHNXCESA-N 1 2 320.397 -0.019 20 30 DBEDLO C=CCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098638389 826513050 /nfs/dbraw/zinc/51/30/50/826513050.db2.gz WWSHNAUDIDJOBL-LBPRGKRZSA-N 1 2 306.370 -0.407 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(=O)CC)C2)nn1 ZINC001098644492 826514265 /nfs/dbraw/zinc/51/42/65/826514265.db2.gz BGSMTNVHVZCWAI-CYBMUJFWSA-N 1 2 318.381 -0.700 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](O)C(C)C)C2)nn1 ZINC001098666952 826516287 /nfs/dbraw/zinc/51/62/87/826516287.db2.gz MHICSWVXZHNHJK-ZIAGYGMSSA-N 1 2 305.382 -0.209 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](O)C(C)C)C2)nn1 ZINC001098666951 826516698 /nfs/dbraw/zinc/51/66/98/826516698.db2.gz MHICSWVXZHNHJK-UONOGXRCSA-N 1 2 305.382 -0.209 20 30 DBEDLO N#CCNCc1cn([C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001098790330 826529193 /nfs/dbraw/zinc/52/91/93/826529193.db2.gz SKCQUKGMPNDLIE-ZDUSSCGKSA-N 1 2 314.353 -0.439 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cccs2)[C@@H](O)C1 ZINC001099630959 826592998 /nfs/dbraw/zinc/59/29/98/826592998.db2.gz SMYCTZDPMKJTMJ-QWRGUYRKSA-N 1 2 322.390 -0.447 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cccs2)[C@@H](O)C1 ZINC001099630959 826593000 /nfs/dbraw/zinc/59/30/00/826593000.db2.gz SMYCTZDPMKJTMJ-QWRGUYRKSA-N 1 2 322.390 -0.447 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)o2)[C@H](O)C1 ZINC001099641780 826596390 /nfs/dbraw/zinc/59/63/90/826596390.db2.gz HUCKWHPOYWSXHR-QWHCGFSZSA-N 1 2 319.361 -0.498 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)o2)[C@H](O)C1 ZINC001099641780 826596392 /nfs/dbraw/zinc/59/63/92/826596392.db2.gz HUCKWHPOYWSXHR-QWHCGFSZSA-N 1 2 319.361 -0.498 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC(C)C)[C@@H](O)C1 ZINC001099662837 826608415 /nfs/dbraw/zinc/60/84/15/826608415.db2.gz DZVJBONCTCIYDV-KBPBESRZSA-N 1 2 309.410 -0.277 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC(C)C)[C@@H](O)C1 ZINC001099662837 826608416 /nfs/dbraw/zinc/60/84/16/826608416.db2.gz DZVJBONCTCIYDV-KBPBESRZSA-N 1 2 309.410 -0.277 20 30 DBEDLO C#CC[NH+]1CCC(CNC(=O)CS(C)(=O)=O)(COC)CC1 ZINC001162145667 833079064 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C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)OCCOC)C2)nn1 ZINC001105337097 827431523 /nfs/dbraw/zinc/43/15/23/827431523.db2.gz RWGHQDPSCDYFDX-GFCCVEGCSA-N 1 2 321.381 -0.564 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCCC(N)=O)C2)nn1 ZINC001105383127 827444622 /nfs/dbraw/zinc/44/46/22/827444622.db2.gz UAYKMYNAEXPZDA-UHFFFAOYSA-N 1 2 304.354 -0.960 20 30 DBEDLO C=CCOCC[NH+]1CC(OC2CCN(C(=O)C(N)=O)CC2)C1 ZINC001105721211 827472247 /nfs/dbraw/zinc/47/22/47/827472247.db2.gz UUBMKBMIFZSSOL-UHFFFAOYSA-N 1 2 311.382 -0.634 20 30 DBEDLO Cc1nc(N(C)C)nc(NC[C@H](O)CNC(=O)[C@@H](C)C#N)[nH+]1 ZINC001105773845 827498016 /nfs/dbraw/zinc/49/80/16/827498016.db2.gz NUMYOUWKQGCRTG-WCBMZHEXSA-N 1 2 307.358 -0.705 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ncccc1O ZINC001275812175 833210734 /nfs/dbraw/zinc/21/07/34/833210734.db2.gz VPMXQAJIQMICES-VXGBXAGGSA-N 1 2 318.377 -0.025 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)c1ncccc1O ZINC001275812175 833210744 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DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)n2nnnc2C(C)(C)C)[C@@H](O)C1 ZINC001083513641 824656241 /nfs/dbraw/zinc/65/62/41/824656241.db2.gz RZDYOFYIGAEAMP-UTUOFQBUSA-N 1 2 320.397 -0.674 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)[C@@H](O)C1 ZINC001083515753 824656774 /nfs/dbraw/zinc/65/67/74/824656774.db2.gz WCOPFBJVSJCGCF-CABCVRRESA-N 1 2 313.361 -0.177 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(-c3ccn(C)c3)n[nH]2)[C@@H](O)C1 ZINC001083515753 824656777 /nfs/dbraw/zinc/65/67/77/824656777.db2.gz WCOPFBJVSJCGCF-CABCVRRESA-N 1 2 313.361 -0.177 20 30 DBEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001083526551 824660750 /nfs/dbraw/zinc/66/07/50/824660750.db2.gz XXQOUSQEJLENNK-BZPMIXESSA-N 1 2 320.393 -0.287 20 30 DBEDLO C=CCn1cccc1C(=O)N[C@@H]1C[N@@H+]([C@H](CC)C(N)=O)C[C@@H]1O ZINC001083526551 824660757 /nfs/dbraw/zinc/66/07/57/824660757.db2.gz XXQOUSQEJLENNK-BZPMIXESSA-N 1 2 320.393 -0.287 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2C(F)(F)F)[C@@H](O)C1 ZINC001083525367 824660964 /nfs/dbraw/zinc/66/09/64/824660964.db2.gz NEWHTUBNIJACHJ-SFYZADRCSA-N 1 2 302.256 -0.163 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2C(F)(F)F)[C@@H](O)C1 ZINC001083525367 824660969 /nfs/dbraw/zinc/66/09/69/824660969.db2.gz NEWHTUBNIJACHJ-SFYZADRCSA-N 1 2 302.256 -0.163 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(cn2)OCCO3)[C@@H](O)C1 ZINC001083532995 824662975 /nfs/dbraw/zinc/66/29/75/824662975.db2.gz SRSQMZKZHJGERX-OLZOCXBDSA-N 1 2 317.345 -0.349 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(cn2)OCCO3)[C@@H](O)C1 ZINC001083532995 824662978 /nfs/dbraw/zinc/66/29/78/824662978.db2.gz SRSQMZKZHJGERX-OLZOCXBDSA-N 1 2 317.345 -0.349 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2ncccn2)[C@@H](O)C1 ZINC001083539247 824665483 /nfs/dbraw/zinc/66/54/83/824665483.db2.gz MSUQQPKXARVAMV-MCIONIFRSA-N 1 2 315.377 -0.760 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCN2c2ncccn2)[C@@H](O)C1 ZINC001083539247 824665486 /nfs/dbraw/zinc/66/54/86/824665486.db2.gz MSUQQPKXARVAMV-MCIONIFRSA-N 1 2 315.377 -0.760 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(CC(F)F)nc2C)[C@@H](O)C1 ZINC001083549694 824670208 /nfs/dbraw/zinc/67/02/08/824670208.db2.gz VYJJZWPZDMFHJZ-NEPJUHHUSA-N 1 2 312.320 -0.135 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(CC(F)F)nc2C)[C@@H](O)C1 ZINC001083549694 824670209 /nfs/dbraw/zinc/67/02/09/824670209.db2.gz VYJJZWPZDMFHJZ-NEPJUHHUSA-N 1 2 312.320 -0.135 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)[C@@H](O)C1 ZINC001083551326 824670864 /nfs/dbraw/zinc/67/08/64/824670864.db2.gz FZSWIRCHSDGYFY-NEPJUHHUSA-N 1 2 302.334 -0.532 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(=O)[nH]c(C3CC3)n2)[C@@H](O)C1 ZINC001083551326 824670870 /nfs/dbraw/zinc/67/08/70/824670870.db2.gz FZSWIRCHSDGYFY-NEPJUHHUSA-N 1 2 302.334 -0.532 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2-c2ccncc2)[C@@H](O)C1 ZINC001083601570 824694128 /nfs/dbraw/zinc/69/41/28/824694128.db2.gz 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CC#CC[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 ZINC001083649806 824711447 /nfs/dbraw/zinc/71/14/47/824711447.db2.gz RAJRMMHSXAILJA-OLZOCXBDSA-N 1 2 314.349 -0.839 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)nnn3C)[C@@H](O)C1 ZINC001083649806 824711450 /nfs/dbraw/zinc/71/14/50/824711450.db2.gz RAJRMMHSXAILJA-OLZOCXBDSA-N 1 2 314.349 -0.839 20 30 DBEDLO C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)[C@@H](O)C1 ZINC001083671101 824720937 /nfs/dbraw/zinc/72/09/37/824720937.db2.gz ALLDTURJMOXGKA-XQQFMLRXSA-N 1 2 314.407 -0.862 20 30 DBEDLO C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCCS2(=O)=O)[C@@H](O)C1 ZINC001083671101 824720944 /nfs/dbraw/zinc/72/09/44/824720944.db2.gz ALLDTURJMOXGKA-XQQFMLRXSA-N 1 2 314.407 -0.862 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)[C@@H](O)C1 ZINC001083674948 824722259 /nfs/dbraw/zinc/72/22/59/824722259.db2.gz CYALZUCCPOXZCQ-BNOWGMLFSA-N 1 2 318.377 -0.668 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2[C@@H]2CCOC2)[C@@H](O)C1 ZINC001083674948 824722267 /nfs/dbraw/zinc/72/22/67/824722267.db2.gz CYALZUCCPOXZCQ-BNOWGMLFSA-N 1 2 318.377 -0.668 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)[C@@H](O)C1 ZINC001083685628 824726946 /nfs/dbraw/zinc/72/69/46/824726946.db2.gz DBLXGUSZYFVEFT-KGLIPLIRSA-N 1 2 313.361 -0.315 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnc3c(c2)c(C)nn3C)[C@@H](O)C1 ZINC001083685628 824726954 /nfs/dbraw/zinc/72/69/54/824726954.db2.gz DBLXGUSZYFVEFT-KGLIPLIRSA-N 1 2 313.361 -0.315 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cncn3)c2)[C@@H](O)C1 ZINC001083765483 824765714 /nfs/dbraw/zinc/76/57/14/824765714.db2.gz GWLFWIYUDFQWDE-CABCVRRESA-N 1 2 311.345 -0.325 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cncn3)c2)[C@@H](O)C1 ZINC001083765483 824765719 /nfs/dbraw/zinc/76/57/19/824765719.db2.gz GWLFWIYUDFQWDE-CABCVRRESA-N 1 2 311.345 -0.325 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3cc(F)ccc3O2)[C@@H](O)C1 ZINC001083826697 824785524 /nfs/dbraw/zinc/78/55/24/824785524.db2.gz 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C#CC[N@H+]1C[C@@H](NC(=O)c2cnn3cccc(OC)c23)[C@@H](O)C1 ZINC001083867602 824797292 /nfs/dbraw/zinc/79/72/92/824797292.db2.gz WGHOARAHUBBYNJ-OLZOCXBDSA-N 1 2 314.345 -0.249 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn3cccc(OC)c23)[C@@H](O)C1 ZINC001083867602 824797300 /nfs/dbraw/zinc/79/73/00/824797300.db2.gz WGHOARAHUBBYNJ-OLZOCXBDSA-N 1 2 314.345 -0.249 20 30 DBEDLO N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)cc1 ZINC001083877542 824803654 /nfs/dbraw/zinc/80/36/54/824803654.db2.gz DXZKUGOWFRYUHF-KGLIPLIRSA-N 1 2 313.317 -0.084 20 30 DBEDLO N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)c3cnon3)[C@@H](O)C2)cc1 ZINC001083877542 824803663 /nfs/dbraw/zinc/80/36/63/824803663.db2.gz DXZKUGOWFRYUHF-KGLIPLIRSA-N 1 2 313.317 -0.084 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cn3cccn3)on2)[C@@H](O)C1 ZINC001083932182 824831491 /nfs/dbraw/zinc/83/14/91/824831491.db2.gz UIZCQLJPLDLBDQ-KGLIPLIRSA-N 1 2 315.333 -0.673 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(Cn3cccn3)on2)[C@@H](O)C1 ZINC001083932182 824831501 /nfs/dbraw/zinc/83/15/01/824831501.db2.gz UIZCQLJPLDLBDQ-KGLIPLIRSA-N 1 2 315.333 -0.673 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3nccs3)c2)[C@@H](O)C1 ZINC001083937079 824835448 /nfs/dbraw/zinc/83/54/48/824835448.db2.gz LMGCMWZVWKWMIT-NEPJUHHUSA-N 1 2 317.374 -0.263 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3nccs3)c2)[C@@H](O)C1 ZINC001083937079 824835457 /nfs/dbraw/zinc/83/54/57/824835457.db2.gz LMGCMWZVWKWMIT-NEPJUHHUSA-N 1 2 317.374 -0.263 20 30 DBEDLO N#CCN1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cn2)[C@@H](O)C1 ZINC001083946513 824839285 /nfs/dbraw/zinc/83/92/85/824839285.db2.gz OYGYBURFXINVGO-KGLIPLIRSA-N 1 2 312.333 -0.434 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ncoc2-c2ccon2)[C@@H](O)C1 ZINC001083959046 824842343 /nfs/dbraw/zinc/84/23/43/824842343.db2.gz CJGXDMSVBHRKHZ-MNOVXSKESA-N 1 2 302.290 -0.262 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ncoc2-c2ccon2)[C@@H](O)C1 ZINC001083959046 824842351 /nfs/dbraw/zinc/84/23/51/824842351.db2.gz CJGXDMSVBHRKHZ-MNOVXSKESA-N 1 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C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nc3C)C2)nn1 ZINC001105197360 827403996 /nfs/dbraw/zinc/40/39/96/827403996.db2.gz PVADLYKHOLGPEJ-UHFFFAOYSA-N 1 2 313.365 -0.260 20 30 DBEDLO C#CCCCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105225455 827411321 /nfs/dbraw/zinc/41/13/21/827411321.db2.gz SVSRFEBOAALIOG-NSHDSACASA-N 1 2 318.381 -0.572 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(C)nn3)C2)nn1 ZINC001105227599 827411335 /nfs/dbraw/zinc/41/13/35/827411335.db2.gz QIKGTPLKBBEYMH-UHFFFAOYSA-N 1 2 314.353 -0.783 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccc(C)nn3)C2)nn1 ZINC001105235783 827411872 /nfs/dbraw/zinc/41/18/72/827411872.db2.gz SJTBPRUMVTXJDC-UHFFFAOYSA-N 1 2 311.349 -0.204 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)OCC#C)C2)nn1 ZINC001105240211 827412875 /nfs/dbraw/zinc/41/28/75/827412875.db2.gz CWIFVVMDZVPHSN-GFCCVEGCSA-N 1 2 301.350 -0.578 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CO[C@@H]3CCOC3)C2)nn1 ZINC001105238400 827413131 /nfs/dbraw/zinc/41/31/31/827413131.db2.gz YIOVPQKKFWLFSC-CQSZACIVSA-N 1 2 319.365 -0.810 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)NC(=O)CC)C2)nn1 ZINC001105246620 827414372 /nfs/dbraw/zinc/41/43/72/827414372.db2.gz FDKDLPTYSITPDX-NSHDSACASA-N 1 2 318.381 -0.701 20 30 DBEDLO N#CCNCc1cn(C2CN(C(=O)CCn3cc[nH+]c3)C2)nn1 ZINC001105295103 827421214 /nfs/dbraw/zinc/42/12/14/827421214.db2.gz YYLDFJRGFIWXPZ-UHFFFAOYSA-N 1 2 314.353 -0.439 20 30 DBEDLO C=C[C@@H](CC)CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105310156 827424301 /nfs/dbraw/zinc/42/43/01/827424301.db2.gz QWCXYVSAUIFLQK-NSHDSACASA-N 1 2 320.397 -0.161 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)C3(C(N)=O)CC3)C2)nn1 ZINC001105315272 827425516 /nfs/dbraw/zinc/42/55/16/827425516.db2.gz DQRMPSLYENPVGS-UHFFFAOYSA-N 1 2 316.365 -0.960 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[C@@H](C)O3)C2)nn1 ZINC001105332090 827429977 /nfs/dbraw/zinc/42/99/77/827429977.db2.gz VRCNVXZCFRMBEX-BXUZGUMPSA-N 1 2 303.366 -0.048 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@@H]3C)C2)nn1 ZINC001105349409 827436027 /nfs/dbraw/zinc/43/60/27/827436027.db2.gz IXADGPCAHKZUAO-BXUZGUMPSA-N 1 2 303.366 -0.191 20 30 DBEDLO Cc1[nH+]c[nH]c1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105366586 827439385 /nfs/dbraw/zinc/43/93/85/827439385.db2.gz YIGZAQMAOQIWDG-UHFFFAOYSA-N 1 2 314.353 -0.451 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3[nH]cnc3C)C2)nn1 ZINC001105366257 827439484 /nfs/dbraw/zinc/43/94/84/827439484.db2.gz FCVQAUGFULWCAT-UHFFFAOYSA-N 1 2 313.365 -0.342 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(C)n3)C2)nn1 ZINC001105372837 827442392 /nfs/dbraw/zinc/44/23/92/827442392.db2.gz ZPPOJHXBXIOART-UHFFFAOYSA-N 1 2 313.365 -0.178 20 30 DBEDLO C#CCO[C@H](C)C(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105708588 827465867 /nfs/dbraw/zinc/46/58/67/827465867.db2.gz PJXGQPPPVNTKFB-CYBMUJFWSA-N 1 2 310.394 -0.291 20 30 DBEDLO C=CCOCC(=O)NC[C@@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105746445 827483577 /nfs/dbraw/zinc/48/35/77/827483577.db2.gz CVYKVMCDKYRKHY-SNVBAGLBSA-N 1 2 320.353 -0.545 20 30 DBEDLO Cc1nc(N(C)C)nc(NC[C@@H](O)CNC(=O)[C@H](C)C#N)[nH+]1 ZINC001105773844 827498059 /nfs/dbraw/zinc/49/80/59/827498059.db2.gz NUMYOUWKQGCRTG-SCZZXKLOSA-N 1 2 307.358 -0.705 20 30 DBEDLO CC(C)C#CC(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105811515 827517696 /nfs/dbraw/zinc/51/76/96/827517696.db2.gz CKKBGJZKUXCKOC-NSHDSACASA-N 1 2 316.365 -0.088 20 30 DBEDLO Cc1nc(N(C)C)nc(NC[C@H](O)CNC(=O)C#CC2CC2)[nH+]1 ZINC001105826118 827525246 /nfs/dbraw/zinc/52/52/46/827525246.db2.gz YSAUXCZBVQUELO-GFCCVEGCSA-N 1 2 318.381 -0.452 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@H](O)CNc1cncc(C#N)n1 ZINC001105913914 827553732 /nfs/dbraw/zinc/55/37/32/827553732.db2.gz LTKOUHDMAXHYTA-GFCCVEGCSA-N 1 2 315.337 -0.787 20 30 DBEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNc1ccncc1C#N ZINC001105921151 827556305 /nfs/dbraw/zinc/55/63/05/827556305.db2.gz YIHPDINPBAYIJP-GFCCVEGCSA-N 1 2 314.349 -0.462 20 30 DBEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@H](O)CNc1cnc(C#N)cn1 ZINC001105921163 827556422 /nfs/dbraw/zinc/55/64/22/827556422.db2.gz YPEXCESVMFBTGF-LLVKDONJSA-N 1 2 315.337 -0.489 20 30 DBEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)CNc1cncc(C#N)n1 ZINC001105921046 827556894 /nfs/dbraw/zinc/55/68/94/827556894.db2.gz WHYSQDMTOQWMAN-NSHDSACASA-N 1 2 315.337 -0.489 20 30 DBEDLO C#CCO[C@@H](C)C(=O)NCCC1(C[NH2+]Cc2nnn(C)n2)CC1 ZINC001164504530 833214779 /nfs/dbraw/zinc/21/47/79/833214779.db2.gz AQCNIONYMGKQPH-LBPRGKRZSA-N 1 2 320.397 -0.376 20 30 DBEDLO N#Cc1ccc(NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)nn1 ZINC001105937187 827563012 /nfs/dbraw/zinc/56/30/12/827563012.db2.gz GACWDXTZHACTNP-JTQLQIEISA-N 1 2 301.310 -0.797 20 30 DBEDLO N#Cc1nccnc1NC[C@H](O)CNC(=O)Cc1[nH]cc[nH+]1 ZINC001105937033 827563069 /nfs/dbraw/zinc/56/30/69/827563069.db2.gz BPPYVBKAMNSNPD-SECBINFHSA-N 1 2 301.310 -0.797 20 30 DBEDLO N#C[C@@H]1C[NH2+]CCN1c1nc(N2CCOCC2)nc2c1CCN2 ZINC001164641886 833224148 /nfs/dbraw/zinc/22/41/48/833224148.db2.gz OIRRDYRFSJIJOO-LLVKDONJSA-N 1 2 315.381 -0.417 20 30 DBEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)c(F)c1 ZINC001106130538 827625814 /nfs/dbraw/zinc/62/58/14/827625814.db2.gz VMSGNAGNHBKEPG-NSHDSACASA-N 1 2 318.312 -0.053 20 30 DBEDLO N#Cc1cccnc1NC[C@@H](O)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001106129350 827626041 /nfs/dbraw/zinc/62/60/41/827626041.db2.gz HUOKWNNYIGVARV-LBPRGKRZSA-N 1 2 300.322 -0.192 20 30 DBEDLO C=CCn1cc(C(=O)NC[C@@H](O)CNc2cc[nH+]c(C)n2)nn1 ZINC001106131558 827626753 /nfs/dbraw/zinc/62/67/53/827626753.db2.gz DPUHBUUKYUVPJS-NSHDSACASA-N 1 2 317.353 -0.235 20 30 DBEDLO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001275946193 833225985 /nfs/dbraw/zinc/22/59/85/833225985.db2.gz RDRYHAQXLQUTDI-LBPRGKRZSA-N 1 2 318.439 -0.104 20 30 DBEDLO COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)S(C)(=O)=O ZINC001275946193 833225991 /nfs/dbraw/zinc/22/59/91/833225991.db2.gz RDRYHAQXLQUTDI-LBPRGKRZSA-N 1 2 318.439 -0.104 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CNC(=O)OC)nn2)C1 ZINC001107136795 827709399 /nfs/dbraw/zinc/70/93/99/827709399.db2.gz HQXDCNFBOKRVKK-UHFFFAOYSA-N 1 2 308.342 -0.707 20 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/nfs/dbraw/zinc/72/20/47/827722047.db2.gz QZKBHQZIWHBDAY-UHFFFAOYSA-N 1 2 306.370 -0.552 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)C3(C(N)=O)CC3)nn2)C1 ZINC001107202473 827727229 /nfs/dbraw/zinc/72/72/29/827727229.db2.gz HOKPAQKMPIZPMQ-UHFFFAOYSA-N 1 2 318.381 -0.407 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CC(=O)N(C)C)nn2)C1 ZINC001107217669 827729652 /nfs/dbraw/zinc/72/96/52/827729652.db2.gz UZLLCEHZJHRYNT-UHFFFAOYSA-N 1 2 320.397 -0.195 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CC(=O)N(C)C)nn2)C1 ZINC001107217392 827729667 /nfs/dbraw/zinc/72/96/67/827729667.db2.gz JPEIEDUMZJFBNR-UHFFFAOYSA-N 1 2 306.370 -0.585 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2COCCN2C)C1 ZINC001107882745 827821620 /nfs/dbraw/zinc/82/16/20/827821620.db2.gz BLDGKKIPJSCPLS-HOCLYGCPSA-N 1 2 309.410 -0.453 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2COCCN2C)C1 ZINC001107882745 827821630 /nfs/dbraw/zinc/82/16/30/827821630.db2.gz BLDGKKIPJSCPLS-HOCLYGCPSA-N 1 2 309.410 -0.453 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2COCCN2C)C1 ZINC001107882746 827822536 /nfs/dbraw/zinc/82/25/36/827822536.db2.gz BLDGKKIPJSCPLS-ZBFHGGJFSA-N 1 2 309.410 -0.453 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2COCCN2C)C1 ZINC001107882746 827822540 /nfs/dbraw/zinc/82/25/40/827822540.db2.gz BLDGKKIPJSCPLS-ZBFHGGJFSA-N 1 2 309.410 -0.453 20 30 DBEDLO C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001107936130 827843737 /nfs/dbraw/zinc/84/37/37/827843737.db2.gz KTAVBGGHWWYEHP-HNNXBMFYSA-N 1 2 305.382 -0.114 20 30 DBEDLO C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)Cc2n[nH]c(C)n2)C1 ZINC001107936130 827843748 /nfs/dbraw/zinc/84/37/48/827843748.db2.gz KTAVBGGHWWYEHP-HNNXBMFYSA-N 1 2 305.382 -0.114 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCNC(=O)COC)C1 ZINC001107984176 827857948 /nfs/dbraw/zinc/85/79/48/827857948.db2.gz VLFMHGUJVVHNMG-HNNXBMFYSA-N 1 2 313.398 -0.468 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CCNC(=O)COC)C1 ZINC001107984176 827857952 /nfs/dbraw/zinc/85/79/52/827857952.db2.gz 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BZQLVCZDOKJCCR-LLVKDONJSA-N 1 2 310.354 -0.497 20 30 DBEDLO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH]ncc21 ZINC001127339303 830005132 /nfs/dbraw/zinc/00/51/32/830005132.db2.gz WBDDXGNXSVIPRV-RYUDHWBXSA-N 1 2 317.393 -0.327 20 30 DBEDLO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001127605206 830019822 /nfs/dbraw/zinc/01/98/22/830019822.db2.gz ULENDJYXOWIVAB-MNOVXSKESA-N 1 2 309.370 -0.705 20 30 DBEDLO C=CCNC(=O)C[NH2+]Cc1nnc2n1CC[C@H](NC(C)=O)CC2 ZINC001127919341 830040232 /nfs/dbraw/zinc/04/02/32/830040232.db2.gz YDGUZYFYMFZHFY-GFCCVEGCSA-N 1 2 320.397 -0.489 20 30 DBEDLO C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H](C)C#N)CC2 ZINC001127964699 830047021 /nfs/dbraw/zinc/04/70/21/830047021.db2.gz NRNFVTPXMLKKFQ-NWDGAFQWSA-N 1 2 300.366 -0.018 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC)[C@@H](n2ccnn2)C1 ZINC001128602876 830102759 /nfs/dbraw/zinc/10/27/59/830102759.db2.gz ZXRHTZVBLVENQW-UPJWGTAASA-N 1 2 318.381 -0.833 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC)[C@@H](n2ccnn2)C1 ZINC001128602876 830102761 /nfs/dbraw/zinc/10/27/61/830102761.db2.gz ZXRHTZVBLVENQW-UPJWGTAASA-N 1 2 318.381 -0.833 20 30 DBEDLO CCOCC(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1n1ccnn1 ZINC001128652147 830114852 /nfs/dbraw/zinc/11/48/52/830114852.db2.gz GHPJCQIWUOZOCS-KGLIPLIRSA-N 1 2 321.381 -0.694 20 30 DBEDLO CCOCC(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1n1ccnn1 ZINC001128652147 830114854 /nfs/dbraw/zinc/11/48/54/830114854.db2.gz GHPJCQIWUOZOCS-KGLIPLIRSA-N 1 2 321.381 -0.694 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128652650 830115240 /nfs/dbraw/zinc/11/52/40/830115240.db2.gz NZKYNEHKOQYBQG-YUTCNCBUSA-N 1 2 318.381 -0.833 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128652650 830115242 /nfs/dbraw/zinc/11/52/42/830115242.db2.gz NZKYNEHKOQYBQG-YUTCNCBUSA-N 1 2 318.381 -0.833 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](COC)OC)[C@@H](n2ccnn2)C1 ZINC001129243725 830162680 /nfs/dbraw/zinc/16/26/80/830162680.db2.gz TXEGSFAZBGOKFA-RDBSUJKOSA-N 1 2 321.381 -0.696 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](COC)OC)[C@@H](n2ccnn2)C1 ZINC001129243725 830162683 /nfs/dbraw/zinc/16/26/83/830162683.db2.gz TXEGSFAZBGOKFA-RDBSUJKOSA-N 1 2 321.381 -0.696 20 30 DBEDLO C=CC[N@@H+]1C[C@@H](NC(=O)CCc2cn[nH]n2)[C@@H](n2ccnn2)C1 ZINC001129271955 830166663 /nfs/dbraw/zinc/16/66/63/830166663.db2.gz SBPALAZUPDACJK-OLZOCXBDSA-N 1 2 316.369 -0.444 20 30 DBEDLO C=CC[N@H+]1C[C@@H](NC(=O)CCc2cn[nH]n2)[C@@H](n2ccnn2)C1 ZINC001129271955 830166670 /nfs/dbraw/zinc/16/66/70/830166670.db2.gz SBPALAZUPDACJK-OLZOCXBDSA-N 1 2 316.369 -0.444 20 30 DBEDLO C=CC[N@@H+]1C[C@@H](NC(=O)CCc2c[nH]nn2)[C@@H](n2ccnn2)C1 ZINC001129271955 830166675 /nfs/dbraw/zinc/16/66/75/830166675.db2.gz SBPALAZUPDACJK-OLZOCXBDSA-N 1 2 316.369 -0.444 20 30 DBEDLO C=CC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]nn2)[C@@H](n2ccnn2)C1 ZINC001129271955 830166678 /nfs/dbraw/zinc/16/66/78/830166678.db2.gz SBPALAZUPDACJK-OLZOCXBDSA-N 1 2 316.369 -0.444 20 30 DBEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCOC)n[nH]1 ZINC001130175797 830274186 /nfs/dbraw/zinc/27/41/86/830274186.db2.gz YHSFTWLEFACPSC-RYUDHWBXSA-N 1 2 321.381 -0.447 20 30 DBEDLO C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1[nH]nc2c1CCCC2 ZINC001130743361 830374178 /nfs/dbraw/zinc/37/41/78/830374178.db2.gz WPPFMRXGJYJBJG-NSHDSACASA-N 1 2 317.393 -0.254 20 30 DBEDLO C#CCO[C@H](C)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001130991421 830416175 /nfs/dbraw/zinc/41/61/75/830416175.db2.gz JGLTZVTXTWRZNW-MGPQQGTHSA-N 1 2 315.377 -0.134 20 30 DBEDLO COC[C@@H](OC)C(=O)N1C[C@@H](c2c[nH+]cn2C)[C@H](NCC#N)C1 ZINC001131064417 830425962 /nfs/dbraw/zinc/42/59/62/830425962.db2.gz JTMRFCCIOLYQPL-YRGRVCCFSA-N 1 2 321.381 -0.511 20 30 DBEDLO C=CCOCC[N@@H+]1CCNC(=O)CCN(C(=O)COC)CC1 ZINC001131316643 830452184 /nfs/dbraw/zinc/45/21/84/830452184.db2.gz QDWHUVNJTRVZQT-UHFFFAOYSA-N 1 2 313.398 -0.514 20 30 DBEDLO C=CCOCC[N@H+]1CCNC(=O)CCN(C(=O)COC)CC1 ZINC001131316643 830452189 /nfs/dbraw/zinc/45/21/89/830452189.db2.gz QDWHUVNJTRVZQT-UHFFFAOYSA-N 1 2 313.398 -0.514 20 30 DBEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)NC(C)=O)CC1 ZINC001131325411 830454526 /nfs/dbraw/zinc/45/45/26/830454526.db2.gz DWGFRMOBVQLBRR-ZDUSSCGKSA-N 1 2 324.425 -0.262 20 30 DBEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)NC(C)=O)CC1 ZINC001131325411 830454528 /nfs/dbraw/zinc/45/45/28/830454528.db2.gz DWGFRMOBVQLBRR-ZDUSSCGKSA-N 1 2 324.425 -0.262 20 30 DBEDLO CCOCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001131339562 830456456 /nfs/dbraw/zinc/45/64/56/830456456.db2.gz HXEMNCHLSGTLKW-ZDUSSCGKSA-N 1 2 310.398 -0.167 20 30 DBEDLO CCOCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001131339562 830456460 /nfs/dbraw/zinc/45/64/60/830456460.db2.gz HXEMNCHLSGTLKW-ZDUSSCGKSA-N 1 2 310.398 -0.167 20 30 DBEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)COCCOC)CC1 ZINC001131339796 830457004 /nfs/dbraw/zinc/45/70/04/830457004.db2.gz QCIDQXKLDSWUPN-UHFFFAOYSA-N 1 2 313.398 -0.514 20 30 DBEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)COCCOC)CC1 ZINC001131339796 830457008 /nfs/dbraw/zinc/45/70/08/830457008.db2.gz QCIDQXKLDSWUPN-UHFFFAOYSA-N 1 2 313.398 -0.514 20 30 DBEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCCCC(N)=O)CC1 ZINC001131391456 830467648 /nfs/dbraw/zinc/46/76/48/830467648.db2.gz VDYRWHDNXUNQDI-UHFFFAOYSA-N 1 2 324.425 -0.131 20 30 DBEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCCCC(N)=O)CC1 ZINC001131391456 830467652 /nfs/dbraw/zinc/46/76/52/830467652.db2.gz VDYRWHDNXUNQDI-UHFFFAOYSA-N 1 2 324.425 -0.131 20 30 DBEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)C(C)(C)NC(C)=O)CC1 ZINC001131388527 830467696 /nfs/dbraw/zinc/46/76/96/830467696.db2.gz PTQLWSJLDLDUDQ-UHFFFAOYSA-N 1 2 324.425 -0.262 20 30 DBEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)C(C)(C)NC(C)=O)CC1 ZINC001131388527 830467701 /nfs/dbraw/zinc/46/77/01/830467701.db2.gz PTQLWSJLDLDUDQ-UHFFFAOYSA-N 1 2 324.425 -0.262 20 30 DBEDLO C=CCO[C@H](C)C(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001131396774 830468726 /nfs/dbraw/zinc/46/87/26/830468726.db2.gz CFHYEVRRXKGBRE-CYBMUJFWSA-N 1 2 313.398 -0.780 20 30 DBEDLO C=CCO[C@H](C)C(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001131396774 830468729 /nfs/dbraw/zinc/46/87/29/830468729.db2.gz CFHYEVRRXKGBRE-CYBMUJFWSA-N 1 2 313.398 -0.780 20 30 DBEDLO C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1c2cn[nH]c2CC[C@@H]1C ZINC001131513891 830478011 /nfs/dbraw/zinc/47/80/11/830478011.db2.gz NPXUARKPBKQULN-NHYWBVRUSA-N 1 2 317.393 -0.469 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2cnccn2)CC[C@@H]1C ZINC001131751137 830517370 /nfs/dbraw/zinc/51/73/70/830517370.db2.gz FWHDCMGVWNDZDM-QWHCGFSZSA-N 1 2 315.377 -0.191 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cnccn2)CC[C@@H]1C ZINC001131751137 830517380 /nfs/dbraw/zinc/51/73/80/830517380.db2.gz FWHDCMGVWNDZDM-QWHCGFSZSA-N 1 2 315.377 -0.191 20 30 DBEDLO C[C@H]1CC[C@@H](NC(=O)CSCC#N)C[N@@H+]1CC(=O)NCC#N ZINC001131825037 830537187 /nfs/dbraw/zinc/53/71/87/830537187.db2.gz GEKIHFAIKKVLAC-NWDGAFQWSA-N 1 2 323.422 -0.148 20 30 DBEDLO C[C@H]1CC[C@@H](NC(=O)CSCC#N)C[N@H+]1CC(=O)NCC#N ZINC001131825037 830537194 /nfs/dbraw/zinc/53/71/94/830537194.db2.gz GEKIHFAIKKVLAC-NWDGAFQWSA-N 1 2 323.422 -0.148 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2cn[nH]c2)CC[C@H]1C ZINC001131825530 830538768 /nfs/dbraw/zinc/53/87/68/830538768.db2.gz JWPBCNFYPNHXFM-DGCLKSJQSA-N 1 2 303.366 -0.258 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cn[nH]c2)CC[C@H]1C ZINC001131825530 830538772 /nfs/dbraw/zinc/53/87/72/830538772.db2.gz JWPBCNFYPNHXFM-DGCLKSJQSA-N 1 2 303.366 -0.258 20 30 DBEDLO C[C@H]1CC[C@H](NC(=O)c2ccnn2C)C[N@@H+]1CC(=O)NCC#N ZINC001131862196 830546111 /nfs/dbraw/zinc/54/61/11/830546111.db2.gz SEJHMUMESVRLSR-RYUDHWBXSA-N 1 2 318.381 -0.357 20 30 DBEDLO C[C@H]1CC[C@H](NC(=O)c2ccnn2C)C[N@H+]1CC(=O)NCC#N ZINC001131862196 830546120 /nfs/dbraw/zinc/54/61/20/830546120.db2.gz SEJHMUMESVRLSR-RYUDHWBXSA-N 1 2 318.381 -0.357 20 30 DBEDLO C=C[C@](C)(CCOC)C(=O)NCC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001131867153 830546175 /nfs/dbraw/zinc/54/61/75/830546175.db2.gz KRWFYQDXXOOYOJ-CQSZACIVSA-N 1 2 311.386 -0.457 20 30 DBEDLO Cc1cc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C2)[nH]n1 ZINC001131861826 830546642 /nfs/dbraw/zinc/54/66/42/830546642.db2.gz PTPRHUZIVPSOHT-NEPJUHHUSA-N 1 2 318.381 -0.059 20 30 DBEDLO Cc1cc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NCC#N)C2)[nH]n1 ZINC001131861826 830546648 /nfs/dbraw/zinc/54/66/48/830546648.db2.gz PTPRHUZIVPSOHT-NEPJUHHUSA-N 1 2 318.381 -0.059 20 30 DBEDLO Cc1cc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(=O)NCC#N)C2)[nH]n1 ZINC001131861828 830546781 /nfs/dbraw/zinc/54/67/81/830546781.db2.gz PTPRHUZIVPSOHT-RYUDHWBXSA-N 1 2 318.381 -0.059 20 30 DBEDLO Cc1cc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=O)NCC#N)C2)[nH]n1 ZINC001131861828 830546788 /nfs/dbraw/zinc/54/67/88/830546788.db2.gz PTPRHUZIVPSOHT-RYUDHWBXSA-N 1 2 318.381 -0.059 20 30 DBEDLO C[C@@H]1CC[C@@H](NC(=O)Cc2ccon2)C[N@@H+]1CC(=O)NCC#N ZINC001131927582 830560613 /nfs/dbraw/zinc/56/06/13/830560613.db2.gz QAMMQNGQIRFJAJ-DGCLKSJQSA-N 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820079629 /nfs/dbraw/zinc/07/96/29/820079629.db2.gz YVJDCIQOUYQMPZ-PWSUYJOCSA-N 1 2 311.349 -0.005 20 30 DBEDLO N#Cc1nccc(NCC2CC(NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001067854838 820137707 /nfs/dbraw/zinc/13/77/07/820137707.db2.gz AUKOLOYCGPKUPS-UHFFFAOYSA-N 1 2 311.349 -0.026 20 30 DBEDLO C[C@@H](C#N)C(=O)N[C@H]1COC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001069007309 820279525 /nfs/dbraw/zinc/27/95/25/820279525.db2.gz DMVUVGOEDRHUEX-NWDGAFQWSA-N 1 2 317.349 -0.471 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](n2ccnn2)C1 ZINC001069892946 820327951 /nfs/dbraw/zinc/32/79/51/820327951.db2.gz XKGBISFDVRBGNA-KGLIPLIRSA-N 1 2 312.333 -0.800 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc[n+]([O-])cc2)[C@@H](n2ccnn2)C1 ZINC001069892946 820327962 /nfs/dbraw/zinc/32/79/62/820327962.db2.gz XKGBISFDVRBGNA-KGLIPLIRSA-N 1 2 312.333 -0.800 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001069901862 820335691 /nfs/dbraw/zinc/33/56/91/820335691.db2.gz WMMNTEOQDVVAIT-KGLIPLIRSA-N 1 2 313.365 -0.771 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cnn(C)c2)[C@@H](n2ccnn2)C1 ZINC001069901862 820335701 /nfs/dbraw/zinc/33/57/01/820335701.db2.gz WMMNTEOQDVVAIT-KGLIPLIRSA-N 1 2 313.365 -0.771 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069902496 820336487 /nfs/dbraw/zinc/33/64/87/820336487.db2.gz ADFPOMPXYLSDLW-KGLIPLIRSA-N 1 2 313.365 -0.391 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)nc2C)[C@@H](n2ccnn2)C1 ZINC001069902496 820336494 /nfs/dbraw/zinc/33/64/94/820336494.db2.gz ADFPOMPXYLSDLW-KGLIPLIRSA-N 1 2 313.365 -0.391 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001069913985 820344737 /nfs/dbraw/zinc/34/47/37/820344737.db2.gz MGPYXQQMPIZRIJ-KGLIPLIRSA-N 1 2 311.349 -0.253 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2cncnc2)[C@@H](n2ccnn2)C1 ZINC001069913985 820344744 /nfs/dbraw/zinc/34/47/44/820344744.db2.gz MGPYXQQMPIZRIJ-KGLIPLIRSA-N 1 2 311.349 -0.253 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001069949427 820360725 /nfs/dbraw/zinc/36/07/25/820360725.db2.gz XHEJLCRDPRVDHT-CRWXNKLISA-N 1 2 319.365 -0.943 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2OCCO[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001069949427 820360735 /nfs/dbraw/zinc/36/07/35/820360735.db2.gz XHEJLCRDPRVDHT-CRWXNKLISA-N 1 2 319.365 -0.943 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2csnn2)[C@@H](n2ccnn2)C1 ZINC001069989444 820368726 /nfs/dbraw/zinc/36/87/26/820368726.db2.gz TVWFDCHSDRJFQL-PWSUYJOCSA-N 1 2 317.378 -0.192 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2csnn2)[C@@H](n2ccnn2)C1 ZINC001069989444 820368735 /nfs/dbraw/zinc/36/87/35/820368735.db2.gz TVWFDCHSDRJFQL-PWSUYJOCSA-N 1 2 317.378 -0.192 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](n2ccnn2)C1 ZINC001069993845 820370484 /nfs/dbraw/zinc/37/04/84/820370484.db2.gz QYYMJVJGPLQAPM-KGLIPLIRSA-N 1 2 313.365 -0.012 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2c[nH]nc2C)[C@@H](n2ccnn2)C1 ZINC001069993845 820370490 /nfs/dbraw/zinc/37/04/90/820370490.db2.gz QYYMJVJGPLQAPM-KGLIPLIRSA-N 1 2 313.365 -0.012 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](n2ccnn2)C1 ZINC001070006236 820373285 /nfs/dbraw/zinc/37/32/85/820373285.db2.gz LELRXSJSRDKQCG-OLZOCXBDSA-N 1 2 300.322 -0.517 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cnoc2)[C@@H](n2ccnn2)C1 ZINC001070006236 820373292 /nfs/dbraw/zinc/37/32/92/820373292.db2.gz LELRXSJSRDKQCG-OLZOCXBDSA-N 1 2 300.322 -0.517 20 30 DBEDLO C=CC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@@H](n2ccnn2)C1 ZINC001070006111 820373740 /nfs/dbraw/zinc/37/37/40/820373740.db2.gz DOSRDBUYOGOETF-MBNYWOFBSA-N 1 2 309.345 -0.066 20 30 DBEDLO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)[C@@H](n2ccnn2)C1 ZINC001070006111 820373748 /nfs/dbraw/zinc/37/37/48/820373748.db2.gz DOSRDBUYOGOETF-MBNYWOFBSA-N 1 2 309.345 -0.066 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070017839 820376656 /nfs/dbraw/zinc/37/66/56/820376656.db2.gz COBRASDMULDHIN-PWSUYJOCSA-N 1 2 315.337 -0.994 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cn(C)c(=O)[nH]2)[C@@H](n2ccnn2)C1 ZINC001070017839 820376663 /nfs/dbraw/zinc/37/66/63/820376663.db2.gz COBRASDMULDHIN-PWSUYJOCSA-N 1 2 315.337 -0.994 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cn2nccc2C)[C@@H](n2ccnn2)C1 ZINC001070042561 820381998 /nfs/dbraw/zinc/38/19/98/820381998.db2.gz SCABDNATGXNFDG-KGLIPLIRSA-N 1 2 313.365 -0.542 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cn2nccc2C)[C@@H](n2ccnn2)C1 ZINC001070042561 820382007 /nfs/dbraw/zinc/38/20/07/820382007.db2.gz SCABDNATGXNFDG-KGLIPLIRSA-N 1 2 313.365 -0.542 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ccncn2)[C@@H](n2ccnn2)C1 ZINC001070057451 820386126 /nfs/dbraw/zinc/38/61/26/820386126.db2.gz RXOGMNJTPWZEKI-KGLIPLIRSA-N 1 2 311.349 -0.253 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ccncn2)[C@@H](n2ccnn2)C1 ZINC001070057451 820386138 /nfs/dbraw/zinc/38/61/38/820386138.db2.gz RXOGMNJTPWZEKI-KGLIPLIRSA-N 1 2 311.349 -0.253 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C#C)cn2)[C@@H](n2ccnn2)C1 ZINC001070078900 820389770 /nfs/dbraw/zinc/38/97/70/820389770.db2.gz WGSBXSWTOVEGNG-CVEARBPZSA-N 1 2 320.356 -0.057 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C#C)cn2)[C@@H](n2ccnn2)C1 ZINC001070078900 820389779 /nfs/dbraw/zinc/38/97/79/820389779.db2.gz WGSBXSWTOVEGNG-CVEARBPZSA-N 1 2 320.356 -0.057 20 30 DBEDLO C[C@H](C#N)C(=O)NC1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001070233047 820433443 /nfs/dbraw/zinc/43/34/43/820433443.db2.gz YQPFIWAEVIALST-LLVKDONJSA-N 1 2 319.365 -0.107 20 30 DBEDLO N#CCN[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070284565 820441125 /nfs/dbraw/zinc/44/11/25/820441125.db2.gz JTFVCTCMRMQXOJ-NEPJUHHUSA-N 1 2 300.326 -0.891 20 30 DBEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1NCC#N ZINC001070616951 820511770 /nfs/dbraw/zinc/51/17/70/820511770.db2.gz ROXPGHHDWKGBDZ-DGCLKSJQSA-N 1 2 311.349 -0.069 20 30 DBEDLO Cn1c[nH+]cc1[C@@H]1CN(C(=O)c2ncccn2)C[C@H]1NCC#N ZINC001070704610 820532124 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303.366 -0.081 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H]3COC(=O)C3)CC2=O)C1 ZINC001094721588 826270142 /nfs/dbraw/zinc/27/01/42/826270142.db2.gz GKYYGCTUKHVFHF-RYUDHWBXSA-N 1 2 321.377 -0.473 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3nccc(C)n3)CC2=O)C1 ZINC001094731648 826275006 /nfs/dbraw/zinc/27/50/06/826275006.db2.gz PYUIPVKUYZZGFO-GFCCVEGCSA-N 1 2 315.377 -0.014 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)c3cnnn3C)CC2=O)C1 ZINC001094734195 826275601 /nfs/dbraw/zinc/27/56/01/826275601.db2.gz SIIXOVVBBFEKQC-NSHDSACASA-N 1 2 318.381 -0.594 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cnnn3CC)CC2=O)C1 ZINC001094735457 826276063 /nfs/dbraw/zinc/27/60/63/826276063.db2.gz OKPOGMVJZHVYIT-LLVKDONJSA-N 1 2 318.381 -0.501 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@]3(C)CNC(=O)C3)CC2=O)C1 ZINC001094764159 826281922 /nfs/dbraw/zinc/28/19/22/826281922.db2.gz QRHKDKJMWXUWNE-BZNIZROVSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3[C@@H]4COC[C@@H]43)CC2=O)C1 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C[C@@H](C#N)C(=O)NCC[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC001096277661 826367098 /nfs/dbraw/zinc/36/70/98/826367098.db2.gz BWRZQQFVDOTCNW-LBPRGKRZSA-N 1 2 313.365 -0.254 20 30 DBEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)CC(N)=O)CC2)nc1 ZINC001096274907 826367131 /nfs/dbraw/zinc/36/71/31/826367131.db2.gz MHBSUKLAGUYWTQ-UHFFFAOYSA-N 1 2 316.365 -0.933 20 30 DBEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 ZINC001096338882 826372573 /nfs/dbraw/zinc/37/25/73/826372573.db2.gz PFZQRTVRKXEYNZ-SCVCMEIPSA-N 1 2 312.333 -0.614 20 30 DBEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 ZINC001096338882 826372578 /nfs/dbraw/zinc/37/25/78/826372578.db2.gz PFZQRTVRKXEYNZ-SCVCMEIPSA-N 1 2 312.333 -0.614 20 30 DBEDLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC001096930078 826402215 /nfs/dbraw/zinc/40/22/15/826402215.db2.gz FMQHTLLGYHZKPK-WZRBSPASSA-N 1 2 301.350 -0.033 20 30 DBEDLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC001096930078 826402219 /nfs/dbraw/zinc/40/22/19/826402219.db2.gz FMQHTLLGYHZKPK-WZRBSPASSA-N 1 2 301.350 -0.033 20 30 DBEDLO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC ZINC001097248141 826415303 /nfs/dbraw/zinc/41/53/03/826415303.db2.gz RPZVMYFXEWBRPG-KBXIAJHMSA-N 1 2 318.421 -0.449 20 30 DBEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC ZINC001097248141 826415307 /nfs/dbraw/zinc/41/53/07/826415307.db2.gz RPZVMYFXEWBRPG-KBXIAJHMSA-N 1 2 318.421 -0.449 20 30 DBEDLO CCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(=O)NCC#N)nn2)C1 ZINC001098589229 826502480 /nfs/dbraw/zinc/50/24/80/826502480.db2.gz UIULCMITKWZCFS-LBPRGKRZSA-N 1 2 319.369 -0.809 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H]3CCCO3)C2)nn1 ZINC001098604331 826506057 /nfs/dbraw/zinc/50/60/57/826506057.db2.gz MKCASPRTHKDTOO-KGLIPLIRSA-N 1 2 303.366 -0.047 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](C)NC(C)=O)C2)nn1 ZINC001098607889 826506981 /nfs/dbraw/zinc/50/69/81/826506981.db2.gz IFOYLRLPJUXZGI-SMDDNHRTSA-N 1 2 318.381 -0.701 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(=O)OC)C2)nn1 ZINC001098625962 826509049 /nfs/dbraw/zinc/50/90/49/826509049.db2.gz KBCOYMVIIFMDLL-GFCCVEGCSA-N 1 2 320.353 -0.870 20 30 DBEDLO C=CCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(=O)NC)nn2)C1 ZINC001098638188 826512477 /nfs/dbraw/zinc/51/24/77/826512477.db2.gz VAUNYLJRTYORHW-CYBMUJFWSA-N 1 2 320.397 -0.147 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)nn1 ZINC001098675416 826518168 /nfs/dbraw/zinc/51/81/68/826518168.db2.gz ATQWOJGDVSCKMP-NOLJZWGESA-N 1 2 315.377 -0.189 20 30 DBEDLO C=C(C)CCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098680405 826518608 /nfs/dbraw/zinc/51/86/08/826518608.db2.gz GIXSYOSVFFENNJ-ZDUSSCGKSA-N 1 2 320.397 -0.017 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C(C)(C)C(N)=O)C2)nn1 ZINC001098683327 826519158 /nfs/dbraw/zinc/51/91/58/826519158.db2.gz XVDANXHVPZBGHK-GFCCVEGCSA-N 1 2 318.381 -0.714 20 30 DBEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn[nH]n3)C2)nn1 ZINC001098687779 826519585 /nfs/dbraw/zinc/51/95/85/826519585.db2.gz DEYHITUXFMAJAQ-GFCCVEGCSA-N 1 2 314.353 -0.404 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)CC(N)=O)C2)nn1 ZINC001098698691 826520349 /nfs/dbraw/zinc/52/03/49/826520349.db2.gz XFFNHCRNNDFIFF-YPMHNXCESA-N 1 2 318.381 -0.714 20 30 DBEDLO C=CC(C)(C)C(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098697993 826521091 /nfs/dbraw/zinc/52/10/91/826521091.db2.gz NLMLNMIMBZQHGC-LBPRGKRZSA-N 1 2 320.397 -0.161 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3n[nH]cc3F)C2)nn1 ZINC001098721413 826523434 /nfs/dbraw/zinc/52/34/34/826523434.db2.gz GUIRRMIWRHHUJK-NSHDSACASA-N 1 2 317.328 -0.050 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCC(N)=O)C2)nn1 ZINC001098789940 826529537 /nfs/dbraw/zinc/52/95/37/826529537.db2.gz KZLXFGUJEHMKKW-CYBMUJFWSA-N 1 2 318.381 -0.570 20 30 DBEDLO NC(=O)C[N@@H+]1C[C@H](NC(=O)C#CC2CC2)CC2(CCOCC2)C1 ZINC001099580900 826572825 /nfs/dbraw/zinc/57/28/25/826572825.db2.gz FWUYPGSBCQWSOC-CQSZACIVSA-N 1 2 319.405 -0.128 20 30 DBEDLO NC(=O)C[N@H+]1C[C@H](NC(=O)C#CC2CC2)CC2(CCOCC2)C1 ZINC001099580900 826572827 /nfs/dbraw/zinc/57/28/27/826572827.db2.gz FWUYPGSBCQWSOC-CQSZACIVSA-N 1 2 319.405 -0.128 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@@H](O)C1 ZINC001099609650 826576612 /nfs/dbraw/zinc/57/66/12/826576612.db2.gz DAYWOAKARAJVLW-QWRGUYRKSA-N 1 2 301.362 -0.412 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@@H](O)C1 ZINC001099609650 826576614 /nfs/dbraw/zinc/57/66/14/826576614.db2.gz DAYWOAKARAJVLW-QWRGUYRKSA-N 1 2 301.362 -0.412 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCCC2)[C@@H](O)C1 ZINC001099611404 826578040 /nfs/dbraw/zinc/57/80/40/826578040.db2.gz QISJNOHQBMVMKD-STQMWFEESA-N 1 2 308.382 -0.632 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCCC2)[C@@H](O)C1 ZINC001099611404 826578046 /nfs/dbraw/zinc/57/80/46/826578046.db2.gz QISJNOHQBMVMKD-STQMWFEESA-N 1 2 308.382 -0.632 20 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826594222 /nfs/dbraw/zinc/59/42/22/826594222.db2.gz KFELWYSNSMFMKF-KGLIPLIRSA-N 1 2 318.377 -0.451 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001099639181 826595943 /nfs/dbraw/zinc/59/59/43/826595943.db2.gz HVWVODBEODVLGM-KBPBESRZSA-N 1 2 322.409 -0.242 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](O)C1 ZINC001099639181 826595972 /nfs/dbraw/zinc/59/59/72/826595972.db2.gz HVWVODBEODVLGM-KBPBESRZSA-N 1 2 322.409 -0.242 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H](O)C1 ZINC001099639185 826596155 /nfs/dbraw/zinc/59/61/55/826596155.db2.gz HVWVODBEODVLGM-UONOGXRCSA-N 1 2 322.409 -0.242 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H](O)C1 ZINC001099639185 826596159 /nfs/dbraw/zinc/59/61/59/826596159.db2.gz HVWVODBEODVLGM-UONOGXRCSA-N 1 2 322.409 -0.242 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2cc(C)on2)[C@H](O)C1 ZINC001099651625 826603708 /nfs/dbraw/zinc/60/37/08/826603708.db2.gz WFFIDICIUMFMNG-WCQYABFASA-N 1 2 322.365 -0.550 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)on2)[C@H](O)C1 ZINC001099651625 826603709 /nfs/dbraw/zinc/60/37/09/826603709.db2.gz WFFIDICIUMFMNG-WCQYABFASA-N 1 2 322.365 -0.550 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001099655034 826605720 /nfs/dbraw/zinc/60/57/20/826605720.db2.gz VYZGDWIBIJNSPC-AAEUAGOBSA-N 1 2 306.366 -0.518 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@@H](O)C1 ZINC001099655034 826605725 /nfs/dbraw/zinc/60/57/25/826605725.db2.gz VYZGDWIBIJNSPC-AAEUAGOBSA-N 1 2 306.366 -0.518 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)no2)[C@H](O)C1 ZINC001099668066 826611223 /nfs/dbraw/zinc/61/12/23/826611223.db2.gz AYGREALFWUYDHP-VXGBXAGGSA-N 1 2 322.365 -0.550 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)no2)[C@H](O)C1 ZINC001099668066 826611226 /nfs/dbraw/zinc/61/12/26/826611226.db2.gz AYGREALFWUYDHP-VXGBXAGGSA-N 1 2 322.365 -0.550 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccn2C)[C@H](O)C1 ZINC001099669640 826612072 /nfs/dbraw/zinc/61/20/72/826612072.db2.gz VNMHLZJSEAWVIM-TZMCWYRMSA-N 1 2 320.393 -0.508 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccn2C)[C@H](O)C1 ZINC001099669640 826612076 /nfs/dbraw/zinc/61/20/76/826612076.db2.gz VNMHLZJSEAWVIM-TZMCWYRMSA-N 1 2 320.393 -0.508 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2)[C@H](O)C1 ZINC001099669087 826612279 /nfs/dbraw/zinc/61/22/79/826612279.db2.gz MOZKKYDXYJCRLZ-QWHCGFSZSA-N 1 2 307.350 -0.253 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccoc2)[C@H](O)C1 ZINC001099669087 826612283 /nfs/dbraw/zinc/61/22/83/826612283.db2.gz MOZKKYDXYJCRLZ-QWHCGFSZSA-N 1 2 307.350 -0.253 20 30 DBEDLO Cn1nncc1C[N@@H+]1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001099690635 826619573 /nfs/dbraw/zinc/61/95/73/826619573.db2.gz RTYJHKKPSRKAJG-NEPJUHHUSA-N 1 2 324.410 -0.877 20 30 DBEDLO Cn1nncc1C[N@H+]1CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C1 ZINC001099690635 826619574 /nfs/dbraw/zinc/61/95/74/826619574.db2.gz RTYJHKKPSRKAJG-NEPJUHHUSA-N 1 2 324.410 -0.877 20 30 DBEDLO Cn1nncc1C[N@H+]1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 ZINC001099690636 826620032 /nfs/dbraw/zinc/62/00/32/826620032.db2.gz RTYJHKKPSRKAJG-NWDGAFQWSA-N 1 2 324.410 -0.877 20 30 DBEDLO Cn1nncc1C[N@@H+]1CC[C@H](NC(=O)CSCC#N)[C@H](O)C1 ZINC001099690636 826620027 /nfs/dbraw/zinc/62/00/27/826620027.db2.gz RTYJHKKPSRKAJG-NWDGAFQWSA-N 1 2 324.410 -0.877 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(CC)CC)[C@@H](O)C1 ZINC001099696365 826621803 /nfs/dbraw/zinc/62/18/03/826621803.db2.gz XHRIUADRSVNZPO-KBPBESRZSA-N 1 2 309.410 -0.277 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(CC)CC)[C@@H](O)C1 ZINC001099696365 826621805 /nfs/dbraw/zinc/62/18/05/826621805.db2.gz XHRIUADRSVNZPO-KBPBESRZSA-N 1 2 309.410 -0.277 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccon2)[C@@H](O)C1 ZINC001099706947 826627797 /nfs/dbraw/zinc/62/77/97/826627797.db2.gz KGDDQMUFQPPAHX-PWSUYJOCSA-N 1 2 308.338 -0.858 20 30 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318.381 -0.701 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)n(C)n3)C2)nn1 ZINC001105176369 827397369 /nfs/dbraw/zinc/39/73/69/827397369.db2.gz JABREBLLLKRZKX-UHFFFAOYSA-N 1 2 313.365 -0.260 20 30 DBEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+][C@@H]3CCNC3=O)nn2)C1 ZINC001105185231 827399677 /nfs/dbraw/zinc/39/96/77/827399677.db2.gz JUTIXCPTNXVNSL-CYBMUJFWSA-N 1 2 318.381 -0.394 20 30 DBEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+][C@H]3CCNC3=O)nn2)C1 ZINC001105185239 827400196 /nfs/dbraw/zinc/40/01/96/827400196.db2.gz JUTIXCPTNXVNSL-ZDUSSCGKSA-N 1 2 318.381 -0.394 20 30 DBEDLO CNC(=O)[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C#N)C2)nn1 ZINC001105189652 827401358 /nfs/dbraw/zinc/40/13/58/827401358.db2.gz JEWHQXTYMBUTHC-UWVGGRQHSA-N 1 2 319.369 -0.955 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C(=O)C(C)(C)C)C2)nn1 ZINC001105197037 827404138 /nfs/dbraw/zinc/40/41/38/827404138.db2.gz CWDUZPRDIOGULA-UHFFFAOYSA-N 1 2 303.366 -0.001 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3c[nH]c(C#N)c3)C2)nn1 ZINC001105217696 827407354 /nfs/dbraw/zinc/40/73/54/827407354.db2.gz FYWBLWWXPOVNLD-UHFFFAOYSA-N 1 2 309.333 -0.102 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001105235407 827412328 /nfs/dbraw/zinc/41/23/28/827412328.db2.gz DPVBYMAUNQLZAC-CHWSQXEVSA-N 1 2 318.337 -0.561 20 30 DBEDLO CC(C)(C)C#CC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105238034 827413385 /nfs/dbraw/zinc/41/33/85/827413385.db2.gz HNEMQMAEDGAPKA-UHFFFAOYSA-N 1 2 318.381 -0.714 20 30 DBEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+][C@@H](C)C(N)=O)nn2)C1 ZINC001105252387 827414700 /nfs/dbraw/zinc/41/47/00/827414700.db2.gz OJHBRLRTMRJCEU-NSHDSACASA-N 1 2 320.397 -0.019 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)COCC(F)F)C2)nn1 ZINC001105289382 827420125 /nfs/dbraw/zinc/42/01/25/827420125.db2.gz AKVKSRLBSBXYIZ-UHFFFAOYSA-N 1 2 313.308 -0.334 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)nn1 ZINC001105307858 827422970 /nfs/dbraw/zinc/42/29/70/827422970.db2.gz BELLXIDPGKFALO-WDNDVIMCSA-N 1 2 301.350 -0.723 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)nn1 ZINC001105308132 827424273 /nfs/dbraw/zinc/42/42/73/827424273.db2.gz JGIVCXNQNGQCBY-FICVDOATSA-N 1 2 315.377 -0.333 20 30 DBEDLO C=C[C@](C)(CC)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105322610 827427790 /nfs/dbraw/zinc/42/77/90/827427790.db2.gz XFPSZNXUHJVLEQ-OAHLLOKOSA-N 1 2 320.397 -0.161 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3OCC[C@H]3C)C2)nn1 ZINC001105329912 827428888 /nfs/dbraw/zinc/42/88/88/827428888.db2.gz DPXMASUPGXBRJT-RISCZKNCSA-N 1 2 303.366 -0.191 20 30 DBEDLO N#CCNCc1cn(C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001105334394 827429949 /nfs/dbraw/zinc/42/99/49/827429949.db2.gz FQGCTMROUSNYNC-UHFFFAOYSA-N 1 2 300.326 -0.760 20 30 DBEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3cn[nH]n3)C2)nn1 ZINC001105330292 827430112 /nfs/dbraw/zinc/43/01/12/827430112.db2.gz ZSKBZZXVMXBXSD-UHFFFAOYSA-N 1 2 316.369 -0.312 20 30 DBEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)CCc3c[nH]nn3)C2)nn1 ZINC001105330292 827430116 /nfs/dbraw/zinc/43/01/16/827430116.db2.gz ZSKBZZXVMXBXSD-UHFFFAOYSA-N 1 2 316.369 -0.312 20 30 DBEDLO C=CC[NH+]1CC(OC2CCN(C(=O)CNC(=O)NC)CC2)C1 ZINC001105713777 827468427 /nfs/dbraw/zinc/46/84/27/827468427.db2.gz VFQBUJWKSVIRNS-UHFFFAOYSA-N 1 2 310.398 -0.207 20 30 DBEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)CCc2[nH]cc[nH+]2)nn1 ZINC001105802474 827511216 /nfs/dbraw/zinc/51/12/16/827511216.db2.gz ABCBKDSWRFIWDL-LLVKDONJSA-N 1 2 315.337 -0.407 20 30 DBEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)nc1 ZINC001105882364 827542816 /nfs/dbraw/zinc/54/28/16/827542816.db2.gz FVXILNWDEOPIPE-GFCCVEGCSA-N 1 2 300.322 -0.261 20 30 DBEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)cn1 ZINC001105882621 827543178 /nfs/dbraw/zinc/54/31/78/827543178.db2.gz JGHVIOIBLOPGIP-CYBMUJFWSA-N 1 2 300.322 -0.261 20 30 DBEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)Cn2cc[nH+]c2)c(F)c1 ZINC001105883418 827544334 /nfs/dbraw/zinc/54/43/34/827544334.db2.gz UEFOGNIZJBVGDL-LLVKDONJSA-N 1 2 318.312 -0.122 20 30 DBEDLO Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](O)CNc1ccncc1C#N ZINC001105921152 827556528 /nfs/dbraw/zinc/55/65/28/827556528.db2.gz YIHPDINPBAYIJP-LBPRGKRZSA-N 1 2 314.349 -0.462 20 30 DBEDLO N#Cc1cnc(NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001105938494 827563931 /nfs/dbraw/zinc/56/39/31/827563931.db2.gz XQWILLCNQBNIAY-JTQLQIEISA-N 1 2 301.310 -0.797 20 30 DBEDLO Cc1cc(NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)c(C#N)cn1 ZINC001105938470 827564091 /nfs/dbraw/zinc/56/40/91/827564091.db2.gz XISSTLPHUHTZDW-GFCCVEGCSA-N 1 2 314.349 -0.462 20 30 DBEDLO COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001275874947 833216563 /nfs/dbraw/zinc/21/65/63/833216563.db2.gz VDEKYWNODIKRKQ-CHWSQXEVSA-N 1 2 316.423 -0.493 20 30 DBEDLO COCC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001275874947 833216569 /nfs/dbraw/zinc/21/65/69/833216569.db2.gz VDEKYWNODIKRKQ-CHWSQXEVSA-N 1 2 316.423 -0.493 20 30 DBEDLO N#Cc1cnccc1NC[C@@H](O)CNC(=O)CCn1cc[nH+]c1 ZINC001106037382 827594316 /nfs/dbraw/zinc/59/43/16/827594316.db2.gz BPQXFLMZVVHTGS-CYBMUJFWSA-N 1 2 314.349 -0.449 20 30 DBEDLO COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1C ZINC001106858408 827682414 /nfs/dbraw/zinc/68/24/14/827682414.db2.gz JIHDYDRIXZKNKS-CHWSQXEVSA-N 1 2 305.382 -0.319 20 30 DBEDLO C=CCOCC[NH+]1CC(n2cc(CNC(=O)COCC)nn2)C1 ZINC001107124317 827705912 /nfs/dbraw/zinc/70/59/12/827705912.db2.gz YJLVEYASVULZLL-UHFFFAOYSA-N 1 2 323.397 -0.010 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CN3CCCC3=O)nn2)C1 ZINC001107122610 827706359 /nfs/dbraw/zinc/70/63/59/827706359.db2.gz HCOFFXYESPMBCW-UHFFFAOYSA-N 1 2 318.381 -0.441 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)CNC(=O)OC)nn2)C1 ZINC001107136980 827709705 /nfs/dbraw/zinc/70/97/05/827709705.db2.gz MOGIKUGQQNXTJP-UHFFFAOYSA-N 1 2 320.353 -0.870 20 30 DBEDLO C=CCOCC(=O)NCc1cn(C2C[NH+](CCOCC)C2)nn1 ZINC001107146401 827711579 /nfs/dbraw/zinc/71/15/79/827711579.db2.gz IHQJQSNYGUIHQW-UHFFFAOYSA-N 1 2 323.397 -0.010 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)COCCOC)nn2)C1 ZINC001107149869 827712509 /nfs/dbraw/zinc/71/25/09/827712509.db2.gz TZUPHKYBDMMDOR-UHFFFAOYSA-N 1 2 321.381 -0.563 20 30 DBEDLO C#CCOCCC(=O)NCc1cn(C2C[NH+](CCOC)C2)nn1 ZINC001107169619 827718787 /nfs/dbraw/zinc/71/87/87/827718787.db2.gz OFPGIPAVGIHFJW-UHFFFAOYSA-N 1 2 321.381 -0.563 20 30 DBEDLO C#CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CC=C)C2)nn1 ZINC001107169532 827718869 /nfs/dbraw/zinc/71/88/69/827718869.db2.gz MZYLVYUTEHJWDV-LBPRGKRZSA-N 1 2 303.366 -0.025 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)NC(=O)CC)nn2)C1 ZINC001107173375 827719595 /nfs/dbraw/zinc/71/95/95/827719595.db2.gz ABDMZRADQPAPEL-LLVKDONJSA-N 1 2 320.397 -0.148 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H](C)NC(N)=O)nn2)C1 ZINC001107172843 827719673 /nfs/dbraw/zinc/71/96/73/827719673.db2.gz OKEXJAVTDWBHLI-JTQLQIEISA-N 1 2 321.385 -0.616 20 30 DBEDLO N#CCN1CC(n2cc(CNC(=O)Cc3[nH]cc[nH+]3)nn2)C1 ZINC001107221889 827730167 /nfs/dbraw/zinc/73/01/67/827730167.db2.gz GOSVHYFBTPBSPI-UHFFFAOYSA-N 1 2 300.326 -0.760 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)Cn3cncn3)nn2)C1 ZINC001107235011 827733197 /nfs/dbraw/zinc/73/31/97/827733197.db2.gz WWPQVPINXZUFFB-UHFFFAOYSA-N 1 2 316.369 -0.381 20 30 DBEDLO C=CCOCC[NH+]1CC(CCO)(NC(=O)c2[nH]c(=O)[nH]c2C)C1 ZINC001276057137 833240403 /nfs/dbraw/zinc/24/04/03/833240403.db2.gz SZKQCZUNJKERMC-UHFFFAOYSA-N 1 2 324.381 -0.207 20 30 DBEDLO C#CCC[NH+]1CC(CCO)(NC(=O)CCc2cncnc2)C1 ZINC001276062608 833241316 /nfs/dbraw/zinc/24/13/16/833241316.db2.gz QFTYFRLYBQZZFU-UHFFFAOYSA-N 1 2 302.378 -0.015 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CCn2cncn2)C1 ZINC001107743796 827783651 /nfs/dbraw/zinc/78/36/51/827783651.db2.gz YOZPVSSERUNLOC-HNNXBMFYSA-N 1 2 305.382 -0.101 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CCn2cncn2)C1 ZINC001107743796 827783657 /nfs/dbraw/zinc/78/36/57/827783657.db2.gz YOZPVSSERUNLOC-HNNXBMFYSA-N 1 2 305.382 -0.101 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@]1(C)C[N@H+](CCn2cncn2)CCO1 ZINC001107821195 827804469 /nfs/dbraw/zinc/80/44/69/827804469.db2.gz KXEBSRYOBVWTBP-GXTWGEPZSA-N 1 2 306.370 -0.355 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@]1(C)C[N@@H+](CCn2cncn2)CCO1 ZINC001107821195 827804478 /nfs/dbraw/zinc/80/44/78/827804478.db2.gz KXEBSRYOBVWTBP-GXTWGEPZSA-N 1 2 306.370 -0.355 20 30 DBEDLO C#CCNC(=O)CC(=O)NC[C@@]1(C)C[N@H+](CC#CC)CCO1 ZINC001107885236 827822957 /nfs/dbraw/zinc/82/29/57/827822957.db2.gz UASSEWQSUZYAFV-INIZCTEOSA-N 1 2 305.378 -0.644 20 30 DBEDLO C#CCNC(=O)CC(=O)NC[C@@]1(C)C[N@@H+](CC#CC)CCO1 ZINC001107885236 827822960 /nfs/dbraw/zinc/82/29/60/827822960.db2.gz UASSEWQSUZYAFV-INIZCTEOSA-N 1 2 305.378 -0.644 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107886577 827823935 /nfs/dbraw/zinc/82/39/35/827823935.db2.gz MDMLZVPCWXJOSA-AWEZNQCLSA-N 1 2 307.354 -0.786 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CN2CN=NC2=O)C1 ZINC001107886577 827823944 /nfs/dbraw/zinc/82/39/44/827823944.db2.gz MDMLZVPCWXJOSA-AWEZNQCLSA-N 1 2 307.354 -0.786 20 30 DBEDLO 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/nfs/dbraw/zinc/47/12/02/835471202.db2.gz BFUCGLQKJVNHPP-JTQLQIEISA-N 1 2 307.379 -0.023 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cscn1 ZINC001267262698 835471204 /nfs/dbraw/zinc/47/12/04/835471204.db2.gz BFUCGLQKJVNHPP-JTQLQIEISA-N 1 2 307.379 -0.023 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)ncn1 ZINC001267264107 835471358 /nfs/dbraw/zinc/47/13/58/835471358.db2.gz RISXHBLWZFVOFA-ZDUSSCGKSA-N 1 2 315.377 -0.271 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)ncn1 ZINC001267264107 835471360 /nfs/dbraw/zinc/47/13/60/835471360.db2.gz RISXHBLWZFVOFA-ZDUSSCGKSA-N 1 2 315.377 -0.271 20 30 DBEDLO Cn1cncc1CC(=O)NCC[N@H+](CC(=O)NCC#N)C1CC1 ZINC001267335875 835488227 /nfs/dbraw/zinc/48/82/27/835488227.db2.gz DSKBVUSFOOCRIN-UHFFFAOYSA-N 1 2 318.381 -0.817 20 30 DBEDLO Cn1cncc1CC(=O)NCC[N@@H+](CC(=O)NCC#N)C1CC1 ZINC001267335875 835488230 /nfs/dbraw/zinc/48/82/30/835488230.db2.gz DSKBVUSFOOCRIN-UHFFFAOYSA-N 1 2 318.381 -0.817 20 30 DBEDLO 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ZINC001267688835 835564515 /nfs/dbraw/zinc/56/45/15/835564515.db2.gz XCONETWYQOKMLG-UHFFFAOYSA-N 1 2 321.356 -0.736 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H](OC)C(C)C)C1 ZINC001267690929 835565976 /nfs/dbraw/zinc/56/59/76/835565976.db2.gz IUPSDXUXQIMUBY-TZMCWYRMSA-N 1 2 309.410 -0.157 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001267727337 835579435 /nfs/dbraw/zinc/57/94/35/835579435.db2.gz CKXLRWLLWXWHGN-QWRGUYRKSA-N 1 2 306.370 -0.392 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001267727337 835579437 /nfs/dbraw/zinc/57/94/37/835579437.db2.gz CKXLRWLLWXWHGN-QWRGUYRKSA-N 1 2 306.370 -0.392 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001267732353 835580821 /nfs/dbraw/zinc/58/08/21/835580821.db2.gz OAYVTSDJKMCKFY-LBPRGKRZSA-N 1 2 317.393 -0.373 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC001267732353 835580831 /nfs/dbraw/zinc/58/08/31/835580831.db2.gz OAYVTSDJKMCKFY-LBPRGKRZSA-N 1 2 317.393 -0.373 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCn2cc(C)cn2)C1 ZINC001267735608 835583311 /nfs/dbraw/zinc/58/33/11/835583311.db2.gz XMHMOHFYECQELD-AWEZNQCLSA-N 1 2 317.393 -0.478 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCn2cc(C)cn2)C1 ZINC001267735608 835583313 /nfs/dbraw/zinc/58/33/13/835583313.db2.gz XMHMOHFYECQELD-AWEZNQCLSA-N 1 2 317.393 -0.478 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001267742873 835584556 /nfs/dbraw/zinc/58/45/56/835584556.db2.gz CRYKYPDOIBVRDW-CHWSQXEVSA-N 1 2 322.409 -0.653 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC)C2)C1 ZINC001267742873 835584559 /nfs/dbraw/zinc/58/45/59/835584559.db2.gz CRYKYPDOIBVRDW-CHWSQXEVSA-N 1 2 322.409 -0.653 20 30 DBEDLO Cn1ccc(CCC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)n1 ZINC001267743057 835584583 /nfs/dbraw/zinc/58/45/83/835584583.db2.gz KIPFVUOPSOHCQN-CYBMUJFWSA-N 1 2 318.381 -0.817 20 30 DBEDLO Cn1ccc(CCC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)n1 ZINC001267743057 835584588 /nfs/dbraw/zinc/58/45/88/835584588.db2.gz KIPFVUOPSOHCQN-CYBMUJFWSA-N 1 2 318.381 -0.817 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC001267742019 835585109 /nfs/dbraw/zinc/58/51/09/835585109.db2.gz XDSDBGOJQIXOKH-SNVBAGLBSA-N 1 2 323.784 -0.373 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c(Cl)cnn2C)C1 ZINC001267742019 835585118 /nfs/dbraw/zinc/58/51/18/835585118.db2.gz XDSDBGOJQIXOKH-SNVBAGLBSA-N 1 2 323.784 -0.373 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001267746978 835585928 /nfs/dbraw/zinc/58/59/28/835585928.db2.gz DUCKSDAYPSADKH-SNVBAGLBSA-N 1 2 307.354 -0.768 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)n2C)C1 ZINC001267746978 835585935 /nfs/dbraw/zinc/58/59/35/835585935.db2.gz DUCKSDAYPSADKH-SNVBAGLBSA-N 1 2 307.354 -0.768 20 30 DBEDLO CCn1cc(CC(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)cn1 ZINC001267751162 835587843 /nfs/dbraw/zinc/58/78/43/835587843.db2.gz YBPQFRHDZGYORW-CYBMUJFWSA-N 1 2 318.381 -0.724 20 30 DBEDLO CCn1cc(CC(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)cn1 ZINC001267751162 835587847 /nfs/dbraw/zinc/58/78/47/835587847.db2.gz YBPQFRHDZGYORW-CYBMUJFWSA-N 1 2 318.381 -0.724 20 30 DBEDLO CN(C(=O)c1cc[n+]([O-])cc1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267756089 835588735 /nfs/dbraw/zinc/58/87/35/835588735.db2.gz XJGKTYJCXRIXQI-ZDUSSCGKSA-N 1 2 317.349 -0.894 20 30 DBEDLO CN(C(=O)c1cc[n+]([O-])cc1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267756089 835588743 /nfs/dbraw/zinc/58/87/43/835588743.db2.gz XJGKTYJCXRIXQI-ZDUSSCGKSA-N 1 2 317.349 -0.894 20 30 DBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)COC)C1 ZINC001267755470 835588920 /nfs/dbraw/zinc/58/89/20/835588920.db2.gz JLXRIYCMWCZGGU-LLVKDONJSA-N 1 2 312.370 -0.823 20 30 DBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)COC)C1 ZINC001267755470 835588925 /nfs/dbraw/zinc/58/89/25/835588925.db2.gz JLXRIYCMWCZGGU-LLVKDONJSA-N 1 2 312.370 -0.823 20 30 DBEDLO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C2CC2)C1 ZINC001267755851 835589305 /nfs/dbraw/zinc/58/93/05/835589305.db2.gz SFANNQMRKJDPFQ-LBPRGKRZSA-N 1 2 308.382 -0.059 20 30 DBEDLO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC2)C1 ZINC001267755851 835589307 /nfs/dbraw/zinc/58/93/07/835589307.db2.gz SFANNQMRKJDPFQ-LBPRGKRZSA-N 1 2 308.382 -0.059 20 30 DBEDLO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2nnc[nH]2)C1 ZINC001267759287 835589436 /nfs/dbraw/zinc/58/94/36/835589436.db2.gz IUIYVOQCOQTWLZ-CYBMUJFWSA-N 1 2 305.382 -0.080 20 30 DBEDLO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2nnc[nH]2)C1 ZINC001267759287 835589442 /nfs/dbraw/zinc/58/94/42/835589442.db2.gz IUIYVOQCOQTWLZ-CYBMUJFWSA-N 1 2 305.382 -0.080 20 30 DBEDLO COCC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2nc[nH]n2)C1 ZINC001267759287 835589448 /nfs/dbraw/zinc/58/94/48/835589448.db2.gz IUIYVOQCOQTWLZ-CYBMUJFWSA-N 1 2 305.382 -0.080 20 30 DBEDLO COCC#CC[N@H+]1CC[C@@H](N(C)C(=O)CCc2nc[nH]n2)C1 ZINC001267759287 835589455 /nfs/dbraw/zinc/58/94/55/835589455.db2.gz IUIYVOQCOQTWLZ-CYBMUJFWSA-N 1 2 305.382 -0.080 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)c2ccnn2C)C1 ZINC001267758624 835589841 /nfs/dbraw/zinc/58/98/41/835589841.db2.gz LILCQTZSWHGAGM-LBPRGKRZSA-N 1 2 305.382 -0.131 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccnn2C)C1 ZINC001267758624 835589844 /nfs/dbraw/zinc/58/98/44/835589844.db2.gz LILCQTZSWHGAGM-LBPRGKRZSA-N 1 2 305.382 -0.131 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)NC(C)=O)C1 ZINC001267775745 835595360 /nfs/dbraw/zinc/59/53/60/835595360.db2.gz WSJRVNHTCSRJRO-ZDUSSCGKSA-N 1 2 322.409 -0.817 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)NC(C)=O)C1 ZINC001267775745 835595364 /nfs/dbraw/zinc/59/53/64/835595364.db2.gz WSJRVNHTCSRJRO-ZDUSSCGKSA-N 1 2 322.409 -0.817 20 30 DBEDLO CCN(C(=O)c1ccnn1C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267782054 835595812 /nfs/dbraw/zinc/59/58/12/835595812.db2.gz QFNFAEHFPLPLKW-GFCCVEGCSA-N 1 2 318.381 -0.404 20 30 DBEDLO CCN(C(=O)c1ccnn1C)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267782054 835595813 /nfs/dbraw/zinc/59/58/13/835595813.db2.gz QFNFAEHFPLPLKW-GFCCVEGCSA-N 1 2 318.381 -0.404 20 30 DBEDLO C=CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)Cc1ncn[nH]1 ZINC001267970383 835614392 /nfs/dbraw/zinc/61/43/92/835614392.db2.gz PWHQEVFHQGQCQR-VXGBXAGGSA-N 1 2 320.397 -0.382 20 30 DBEDLO C=CCOCC[N@@H+]1CCO[C@@H](CNC(=O)Cc2nnc(C)o2)C1 ZINC001268019275 835621313 /nfs/dbraw/zinc/62/13/13/835621313.db2.gz ACWKIDZYTVORPA-ZDUSSCGKSA-N 1 2 324.381 -0.060 20 30 DBEDLO C=CCOCC[N@H+]1CCO[C@@H](CNC(=O)Cc2nnc(C)o2)C1 ZINC001268019275 835621315 /nfs/dbraw/zinc/62/13/15/835621315.db2.gz ACWKIDZYTVORPA-ZDUSSCGKSA-N 1 2 324.381 -0.060 20 30 DBEDLO C=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CCC)S(N)(=O)=O)C1 ZINC001268023963 835622749 /nfs/dbraw/zinc/62/27/49/835622749.db2.gz UNZWSKOOFMDQND-VXGBXAGGSA-N 1 2 319.427 -0.553 20 30 DBEDLO C=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](CCC)S(N)(=O)=O)C1 ZINC001268023963 835622750 /nfs/dbraw/zinc/62/27/50/835622750.db2.gz UNZWSKOOFMDQND-VXGBXAGGSA-N 1 2 319.427 -0.553 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001268194627 835638099 /nfs/dbraw/zinc/63/80/99/835638099.db2.gz SZJYWJLHAQBOIS-NSHDSACASA-N 1 2 318.337 -0.984 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001268194627 835638102 /nfs/dbraw/zinc/63/81/02/835638102.db2.gz SZJYWJLHAQBOIS-NSHDSACASA-N 1 2 318.337 -0.984 20 30 DBEDLO C=CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cnnn1CC ZINC001268236259 835642015 /nfs/dbraw/zinc/64/20/15/835642015.db2.gz UVVJPBAXXCDXMQ-UHFFFAOYSA-N 1 2 308.386 -0.396 20 30 DBEDLO C=CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cnnn1CC ZINC001268236259 835642018 /nfs/dbraw/zinc/64/20/18/835642018.db2.gz UVVJPBAXXCDXMQ-UHFFFAOYSA-N 1 2 308.386 -0.396 20 30 DBEDLO CCc1n[nH]cc1C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001268243219 835643107 /nfs/dbraw/zinc/64/31/07/835643107.db2.gz VSTQAASLCMDNQH-UHFFFAOYSA-N 1 2 306.370 -0.384 20 30 DBEDLO CCc1n[nH]cc1C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001268243219 835643110 /nfs/dbraw/zinc/64/31/10/835643110.db2.gz VSTQAASLCMDNQH-UHFFFAOYSA-N 1 2 306.370 -0.384 20 30 DBEDLO Cc1nn(C)c(C)c1C(=O)N(C)CC[N@H+](C)CC(=O)NCC#N ZINC001268242799 835643291 /nfs/dbraw/zinc/64/32/91/835643291.db2.gz DBZDROQJZJYDQB-UHFFFAOYSA-N 1 2 320.397 -0.319 20 30 DBEDLO Cc1nn(C)c(C)c1C(=O)N(C)CC[N@@H+](C)CC(=O)NCC#N ZINC001268242799 835643295 /nfs/dbraw/zinc/64/32/95/835643295.db2.gz DBZDROQJZJYDQB-UHFFFAOYSA-N 1 2 320.397 -0.319 20 30 DBEDLO CN(CC[N@H+](C)CC(=O)NCC#N)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001268243624 835643536 /nfs/dbraw/zinc/64/35/36/835643536.db2.gz ZVINQACLWFJSBW-LBPRGKRZSA-N 1 2 323.397 -0.925 20 30 DBEDLO CN(CC[N@@H+](C)CC(=O)NCC#N)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001268243624 835643539 /nfs/dbraw/zinc/64/35/39/835643539.db2.gz ZVINQACLWFJSBW-LBPRGKRZSA-N 1 2 323.397 -0.925 20 30 DBEDLO Cn1nnnc1C[NH2+]C/C=C/CNC(=O)c1c[nH]c(C#N)c1 ZINC001268529698 835718026 /nfs/dbraw/zinc/71/80/26/835718026.db2.gz DGJYDODYGMASEM-NSCUHMNNSA-N 1 2 300.326 -0.514 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C[C@@H]2CCCO2)C1 ZINC001268548017 835726663 /nfs/dbraw/zinc/72/66/63/835726663.db2.gz YBUYKMXBHKVRSZ-OCCSQVGLSA-N 1 2 307.394 -0.259 20 30 DBEDLO C#CCC[NH2+]C/C=C/CNC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001268604850 835751147 /nfs/dbraw/zinc/75/11/47/835751147.db2.gz FXVLUHNHYVVDIL-SNAWJCMRSA-N 1 2 314.349 -0.644 20 30 DBEDLO C#CCC[NH2+]C[C@H](C)NC(=O)Cn1[nH]cc2c(=O)ncnc1-2 ZINC001268709484 835785593 /nfs/dbraw/zinc/78/55/93/835785593.db2.gz UPTPBVPWICIDNT-JTQLQIEISA-N 1 2 302.338 -0.811 20 30 DBEDLO C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1ccc2[nH]nnc2c1 ZINC001268715663 835788551 /nfs/dbraw/zinc/78/85/51/835788551.db2.gz NFSGHNKZZYMBQT-JTQLQIEISA-N 1 2 316.365 -0.032 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1n[nH]c(C)n1 ZINC001268729263 835790788 /nfs/dbraw/zinc/79/07/88/835790788.db2.gz DYQDFNIJGIXLLX-WDEREUQCSA-N 1 2 320.397 -0.770 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc1n[nH]c(C)n1 ZINC001268729263 835790776 /nfs/dbraw/zinc/79/07/76/835790776.db2.gz DYQDFNIJGIXLLX-WDEREUQCSA-N 1 2 320.397 -0.770 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc1n[nH]c(C)n1 ZINC001268729260 835791647 /nfs/dbraw/zinc/79/16/47/835791647.db2.gz DYQDFNIJGIXLLX-GHMZBOCLSA-N 1 2 320.397 -0.770 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1n[nH]c(C)n1 ZINC001268729260 835791652 /nfs/dbraw/zinc/79/16/52/835791652.db2.gz DYQDFNIJGIXLLX-GHMZBOCLSA-N 1 2 320.397 -0.770 20 30 DBEDLO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001268813669 835814523 /nfs/dbraw/zinc/81/45/23/835814523.db2.gz COJFEHZOPYJPJL-MNOVXSKESA-N 1 2 321.381 -0.406 20 30 DBEDLO CCCCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)[C@H](C)C#N)C1 ZINC001268813666 835814959 /nfs/dbraw/zinc/81/49/59/835814959.db2.gz CODJESDAIKCSJK-LLVKDONJSA-N 1 2 323.397 -0.180 20 30 DBEDLO C=CCNC(=O)C[NH+]1CC(CNC(=O)c2cc(OC)no2)C1 ZINC001268821747 835815857 /nfs/dbraw/zinc/81/58/57/835815857.db2.gz APYMYIXSZGSPFT-UHFFFAOYSA-N 1 2 308.338 -0.353 20 30 DBEDLO CC(C)C#CC(=O)NCC1C[NH+](CC(=O)NC[C@H]2CCOC2)C1 ZINC001268824973 835816602 /nfs/dbraw/zinc/81/66/02/835816602.db2.gz KWOFNFORQVMRDA-CQSZACIVSA-N 1 2 321.421 -0.154 20 30 DBEDLO C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2cnnn2CC)C1 ZINC001268826390 835817615 /nfs/dbraw/zinc/81/76/15/835817615.db2.gz YUYFFBGLVHLLPQ-NSHDSACASA-N 1 2 318.381 -0.903 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)Cc2cn(C)nc2C)C1 ZINC001268837899 835821889 /nfs/dbraw/zinc/82/18/89/835821889.db2.gz JSMFBDPTVIYUIO-UHFFFAOYSA-N 1 2 317.393 -0.932 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H](OC)C2)C1 ZINC001268866997 835829884 /nfs/dbraw/zinc/82/98/84/835829884.db2.gz DCCZKJPYSUXQMW-HUUCEWRRSA-N 1 2 321.421 -0.011 20 30 DBEDLO C#CC(=O)N1CC[N@H+](Cc2cn[nH]c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001268941663 835845287 /nfs/dbraw/zinc/84/52/87/835845287.db2.gz CNZBXFGXBNTJFL-INIZCTEOSA-N 1 2 315.377 -0.274 20 30 DBEDLO C#CC(=O)N1CC[N@@H+](Cc2cn[nH]c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001268941663 835845294 /nfs/dbraw/zinc/84/52/94/835845294.db2.gz CNZBXFGXBNTJFL-INIZCTEOSA-N 1 2 315.377 -0.274 20 30 DBEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCNC1=O ZINC001268952094 835848044 /nfs/dbraw/zinc/84/80/44/835848044.db2.gz QLUINKWPELHHPC-IHRRRGAJSA-N 1 2 305.378 -0.553 20 30 DBEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCNC1=O ZINC001268952094 835848051 /nfs/dbraw/zinc/84/80/51/835848051.db2.gz QLUINKWPELHHPC-IHRRRGAJSA-N 1 2 305.378 -0.553 20 30 DBEDLO COCC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001268969829 835850483 /nfs/dbraw/zinc/85/04/83/835850483.db2.gz LSWRDVCBGNFXTG-QPSCCSFWSA-N 1 2 319.405 -0.177 20 30 DBEDLO COCC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001268969829 835850488 /nfs/dbraw/zinc/85/04/88/835850488.db2.gz LSWRDVCBGNFXTG-QPSCCSFWSA-N 1 2 319.405 -0.177 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC(N)=O ZINC001268992782 835854256 /nfs/dbraw/zinc/85/42/56/835854256.db2.gz GALDLNJMIGLESP-AVGNSLFASA-N 1 2 320.393 -0.935 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC(N)=O ZINC001268992782 835854259 /nfs/dbraw/zinc/85/42/59/835854259.db2.gz GALDLNJMIGLESP-AVGNSLFASA-N 1 2 320.393 -0.935 20 30 DBEDLO C=C[C@](C)(O)CC(=O)NC[C@H](C)[N@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001485297621 1013100774 /nfs/dbraw/zinc/10/07/74/1013100774.db2.gz KYZRZPGAMDVTEQ-HZMBPMFUSA-N 1 2 311.386 -0.628 20 30 DBEDLO C=C[C@](C)(O)CC(=O)NC[C@H](C)[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC001485297621 1013100788 /nfs/dbraw/zinc/10/07/88/1013100788.db2.gz KYZRZPGAMDVTEQ-HZMBPMFUSA-N 1 2 311.386 -0.628 20 30 DBEDLO C#CCC[NH+]1CC(CCO)(NC(=O)C(C)(C)N2CCOCC2)C1 ZINC001485419500 1013216525 /nfs/dbraw/zinc/21/65/25/1013216525.db2.gz JJMTYGVJALBCAD-UHFFFAOYSA-N 1 2 323.437 -0.327 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)c2ccccn2)C1 ZINC001485484703 1013232708 /nfs/dbraw/zinc/23/27/08/1013232708.db2.gz AVNBJDOGNILBJR-GFCCVEGCSA-N 1 2 300.362 -0.119 20 30 DBEDLO C[C@@H](NC(=O)c1cncs1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001485490371 1013234355 /nfs/dbraw/zinc/23/43/55/1013234355.db2.gz AFVJLWBIFQGLHO-SECBINFHSA-N 1 2 307.379 -0.167 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)n2cncn2)C1 ZINC001485501378 1013244163 /nfs/dbraw/zinc/24/41/63/1013244163.db2.gz YGDMLSYODMGWDV-NEPJUHHUSA-N 1 2 318.381 -0.975 20 30 DBEDLO C[C@H](NC(=O)[C@H]1C[C@@H]1C(F)F)C1C[NH+](CC(=O)NCC#N)C1 ZINC001485501516 1013245580 /nfs/dbraw/zinc/24/55/80/1013245580.db2.gz ADLRBGMZADULKI-LSJOCFKGSA-N 1 2 314.336 -0.036 20 30 DBEDLO C#CCO[C@H](C)C(=O)N[C@H](C)C1C[NH+](CC(=O)NCC2CC2)C1 ZINC001485505412 1013245893 /nfs/dbraw/zinc/24/58/93/1013245893.db2.gz ZFBJDMBDZKYXOB-CHWSQXEVSA-N 1 2 321.421 -0.013 20 30 DBEDLO C[C@H](NC(=O)CCc1ccon1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001485510921 1013253043 /nfs/dbraw/zinc/25/30/43/1013253043.db2.gz HSRZYSIISNPYGB-NSHDSACASA-N 1 2 319.365 -0.317 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)NC(C)=O)C1 ZINC001485527394 1013263082 /nfs/dbraw/zinc/26/30/82/1013263082.db2.gz XSVGHAXZMCTLCB-RISCZKNCSA-N 1 2 322.409 -0.913 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001485534519 1013266709 /nfs/dbraw/zinc/26/67/09/1013266709.db2.gz DAPWSDZRBBUVNV-NSHDSACASA-N 1 2 316.361 -0.413 20 30 DBEDLO CC(C)C#CC(=O)NCCOCC[N@H+](C)CCS(C)(=O)=O ZINC001485773487 1013359148 /nfs/dbraw/zinc/35/91/48/1013359148.db2.gz SXLANMIFKRUUNF-UHFFFAOYSA-N 1 2 318.439 -0.245 20 30 DBEDLO CC(C)C#CC(=O)NCCOCC[N@@H+](C)CCS(C)(=O)=O ZINC001485773487 1013359161 /nfs/dbraw/zinc/35/91/61/1013359161.db2.gz SXLANMIFKRUUNF-UHFFFAOYSA-N 1 2 318.439 -0.245 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@@H](CO)[NH2+]Cc1nnc2n1CCCC2 ZINC001485983961 1013499784 /nfs/dbraw/zinc/49/97/84/1013499784.db2.gz WXDIXIWDJRFGPN-QWRGUYRKSA-N 1 2 306.370 -0.659 20 30 DBEDLO C=CCn1cc(C(=O)NC[C@@H](CO)[NH2+]Cc2nonc2C)nn1 ZINC001486042181 1013612174 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N#Cc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)[nH]1 ZINC001073574498 821169506 /nfs/dbraw/zinc/16/95/06/821169506.db2.gz UECLBKZKJYWQHC-NSHDSACASA-N 1 2 305.338 -0.808 20 30 DBEDLO C#CCN1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073739984 821225137 /nfs/dbraw/zinc/22/51/37/821225137.db2.gz AQOMDQAUGQINDK-HZPDHXFCSA-N 1 2 323.437 -0.064 20 30 DBEDLO C#CCN1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001073739984 821225145 /nfs/dbraw/zinc/22/51/45/821225145.db2.gz AQOMDQAUGQINDK-HZPDHXFCSA-N 1 2 323.437 -0.064 20 30 DBEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)CCCO2)nc1 ZINC001073859994 821259121 /nfs/dbraw/zinc/25/91/21/821259121.db2.gz YWOPJBCFBKRQGK-CYBMUJFWSA-N 1 2 316.361 -0.631 20 30 DBEDLO C#Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(N)=O)CCCO2)nc1 ZINC001073859994 821259131 /nfs/dbraw/zinc/25/91/31/821259131.db2.gz YWOPJBCFBKRQGK-CYBMUJFWSA-N 1 2 316.361 -0.631 20 30 DBEDLO C=C(C)C[N@@H+]1CCO[C@@H]2CCN(C(=O)Cn3cnnn3)C[C@H]21 ZINC001074159249 821293575 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N#CCC[N@H+]1CCOC[C@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2)C1 ZINC001274032137 833008201 /nfs/dbraw/zinc/00/82/01/833008201.db2.gz IOEKDNZBERGYLD-CZUORRHYSA-N 1 2 320.393 -0.270 20 30 DBEDLO N#CCC[N@@H+]1CCOC[C@]2(CC(=O)N(C[C@H]3CCC(=O)N3)C2)C1 ZINC001274032137 833008211 /nfs/dbraw/zinc/00/82/11/833008211.db2.gz IOEKDNZBERGYLD-CZUORRHYSA-N 1 2 320.393 -0.270 20 30 DBEDLO C=C(C)C[NH+]1CC(OC2CCN(C(=O)[C@H]3CNC(=O)N3)CC2)C1 ZINC001093565852 826143244 /nfs/dbraw/zinc/14/32/44/826143244.db2.gz FDTJMJWIHKNAPN-CQSZACIVSA-N 1 2 322.409 -0.064 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCCO3)nn2)C1 ZINC001094272702 826214296 /nfs/dbraw/zinc/21/42/96/826214296.db2.gz CTIZJUAALWUYGX-AWEZNQCLSA-N 1 2 303.366 -0.047 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3nnn(C)c3C)nn2)C1 ZINC001094282231 826219051 /nfs/dbraw/zinc/21/90/51/826219051.db2.gz KEIJRCOIARPUOJ-UHFFFAOYSA-N 1 2 316.369 -0.312 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCNC(=O)C3)nn2)C1 ZINC001094284040 826220093 /nfs/dbraw/zinc/22/00/93/826220093.db2.gz UGNJFNXPSLOVFQ-LLVKDONJSA-N 1 2 318.381 -0.537 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3cn(C)nn3)nn2)C1 ZINC001094288441 826221723 /nfs/dbraw/zinc/22/17/23/826221723.db2.gz OLTWHNCVNYQOSE-UHFFFAOYSA-N 1 2 316.369 -0.231 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)c3cnnn3C)nn2)C1 ZINC001094288035 826221884 /nfs/dbraw/zinc/22/18/84/826221884.db2.gz BUPMPVNUYWOKLS-UHFFFAOYSA-N 1 2 316.369 -0.231 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[C@H]3C(N)=O)nn2)C1 ZINC001094309860 826226546 /nfs/dbraw/zinc/22/65/46/826226546.db2.gz TXIFNFUTWMSXRP-OLZOCXBDSA-N 1 2 318.381 -0.552 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CCNC3=O)nn2)C1 ZINC001094309628 826226773 /nfs/dbraw/zinc/22/67/73/826226773.db2.gz IESKVAKQNNRDTN-LBPRGKRZSA-N 1 2 304.354 -0.927 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cn(C)c(=O)[nH]3)nn2)C1 ZINC001094315408 826229814 /nfs/dbraw/zinc/22/98/14/826229814.db2.gz MCLDETFVFXQRAS-UHFFFAOYSA-N 1 2 317.353 -0.310 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CNC(=O)N3)nn2)C1 ZINC001094314946 826229884 /nfs/dbraw/zinc/22/98/84/826229884.db2.gz FINNVYOAYQUQRI-GFCCVEGCSA-N 1 2 319.369 -0.992 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3cnn(C)n3)nn2)C1 ZINC001094326927 826231960 /nfs/dbraw/zinc/23/19/60/826231960.db2.gz UPVYKYQPUXQBDA-UHFFFAOYSA-N 1 2 302.342 -0.621 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3ncccn3)nn2)C1 ZINC001094330651 826233165 /nfs/dbraw/zinc/23/31/65/826233165.db2.gz OITKJJABYCHMSB-UHFFFAOYSA-N 1 2 311.349 -0.122 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3ccn(C)n3)nn2)C1 ZINC001094339257 826235628 /nfs/dbraw/zinc/23/56/28/826235628.db2.gz WVGNEHVJKOLESS-UHFFFAOYSA-N 1 2 301.354 -0.016 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)C3=COCCO3)CC2=O)C1 ZINC001094694076 826259246 /nfs/dbraw/zinc/25/92/46/826259246.db2.gz XDUHUMAAEPGHPJ-LLVKDONJSA-N 1 2 307.350 -0.538 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCNC(=O)C3)CC2=O)C1 ZINC001094721108 826270033 /nfs/dbraw/zinc/27/00/33/826270033.db2.gz 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C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3COC(=O)N3)CC2=O)C1 ZINC001094730335 826274209 /nfs/dbraw/zinc/27/42/09/826274209.db2.gz YHBCZUCONQETAU-PWSUYJOCSA-N 1 2 322.365 -0.928 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C3CN(C(C)=O)C3)CC2=O)C1 ZINC001094731165 826274309 /nfs/dbraw/zinc/27/43/09/826274309.db2.gz LKZMEPMHPCZDQH-ZDUSSCGKSA-N 1 2 320.393 -0.948 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)Cc3nnc(C)[nH]3)CC2=O)C1 ZINC001094733116 826274600 /nfs/dbraw/zinc/27/46/00/826274600.db2.gz GCDMFDBJIGSFKD-LLVKDONJSA-N 1 2 318.381 -0.757 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)Cc3nnc(C)o3)CC2=O)C1 ZINC001094735994 826276264 /nfs/dbraw/zinc/27/62/64/826276264.db2.gz YXSRLVKAODNBCR-LLVKDONJSA-N 1 2 319.365 -0.492 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)Cc3ccn(C)n3)CC2=O)C1 ZINC001094737624 826276969 /nfs/dbraw/zinc/27/69/69/826276969.db2.gz WRRWUQNGSKGXHN-CYBMUJFWSA-N 1 2 317.393 -0.450 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3coc(OC)n3)CC2=O)C1 ZINC001094767257 826282387 /nfs/dbraw/zinc/28/23/87/826282387.db2.gz XTGRMRBKXKFUIX-SNVBAGLBSA-N 1 2 320.349 -0.116 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3c[nH]c(=O)n3C)CC2=O)C1 ZINC001094770591 826282890 /nfs/dbraw/zinc/28/28/90/826282890.db2.gz FAMAZXKMOMJTHJ-SNVBAGLBSA-N 1 2 319.365 -0.673 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CCNC3=O)CC2=O)C1 ZINC001094768130 826283028 /nfs/dbraw/zinc/28/30/28/826283028.db2.gz POQRYAZMCFTDQA-DGCLKSJQSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=CCOC(=O)N[C@H]1CCCN(C(=O)C[C@H]([NH3+])C(=O)OC)C1 ZINC001161536262 833031993 /nfs/dbraw/zinc/03/19/93/833031993.db2.gz AUYLEZGSOWZCHN-QWRGUYRKSA-N 1 2 313.354 -0.220 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@@]3(F)CCOC3)CC2=O)C1 ZINC001094778008 826285048 /nfs/dbraw/zinc/28/50/48/826285048.db2.gz ISYOKPQXFBIZQB-IAQYHMDHSA-N 1 2 311.357 -0.298 20 30 DBEDLO C#CCNC(=O)CC(=O)N1CCCN(c2cc[nH+]c(C)n2)CC1 ZINC001095175516 826310730 /nfs/dbraw/zinc/31/07/30/826310730.db2.gz FBXLUULETBPIRP-UHFFFAOYSA-N 1 2 315.377 -0.037 20 30 DBEDLO C#CCNC(=O)CC(=O)NCCCN(C)c1cc[nH+]c(C)n1 ZINC001095523820 826330623 /nfs/dbraw/zinc/33/06/23/826330623.db2.gz UJUDAMOQRZHUNS-UHFFFAOYSA-N 1 2 303.366 -0.133 20 30 DBEDLO CC#CC[N@H+](CCO)C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001098528864 826497216 /nfs/dbraw/zinc/49/72/16/826497216.db2.gz PYLGZXLYUMIJFD-UHFFFAOYSA-N 1 2 305.382 -0.344 20 30 DBEDLO CC#CC[N@@H+](CCO)C1CCN(C(=O)Cc2ncn[nH]2)CC1 ZINC001098528864 826497221 /nfs/dbraw/zinc/49/72/21/826497221.db2.gz PYLGZXLYUMIJFD-UHFFFAOYSA-N 1 2 305.382 -0.344 20 30 DBEDLO COCC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COC)C2)nn1 ZINC001098586467 826502325 /nfs/dbraw/zinc/50/23/25/826502325.db2.gz GCQBBJDZKOJXGM-CQSZACIVSA-N 1 2 321.381 -0.563 20 30 DBEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CNC(C)=O)C2)nn1 ZINC001098600870 826505504 /nfs/dbraw/zinc/50/55/04/826505504.db2.gz HPIFAYITTNIXQE-CQSZACIVSA-N 1 2 318.381 -0.700 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccnn3C)C2)nn1 ZINC001098629272 826510243 /nfs/dbraw/zinc/51/02/43/826510243.db2.gz IZTHPGXNGVTJRE-CYBMUJFWSA-N 1 2 313.365 -0.178 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCOC3)C2)nn1 ZINC001098633967 826511379 /nfs/dbraw/zinc/51/13/79/826511379.db2.gz NTOZIWJAKCJXAL-JSGCOSHPSA-N 1 2 303.366 -0.189 20 30 DBEDLO CNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)C#N)C2)nn1 ZINC001098632959 826511409 /nfs/dbraw/zinc/51/14/09/826511409.db2.gz GYFMUMFJONCOAL-PWSUYJOCSA-N 1 2 319.369 -0.953 20 30 DBEDLO CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC(N)=O)C2)nn1 ZINC001098639924 826512763 /nfs/dbraw/zinc/51/27/63/826512763.db2.gz ARTONWFFPLZATJ-GFCCVEGCSA-N 1 2 304.354 -0.960 20 30 DBEDLO C#CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098666870 826516683 /nfs/dbraw/zinc/51/66/83/826516683.db2.gz JMSBXTTXAAKGPV-ZDUSSCGKSA-N 1 2 318.381 -0.570 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3nccn3)C2)nn1 ZINC001098678645 826518203 /nfs/dbraw/zinc/51/82/03/826518203.db2.gz LAFVPMVBCUGPMY-ZDUSSCGKSA-N 1 2 314.353 -0.934 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)nn1 ZINC001098706009 826521492 /nfs/dbraw/zinc/52/14/92/826521492.db2.gz OVCFFVGMIHSKIM-ZFWWWQNUSA-N 1 2 321.356 -0.097 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@]3(F)CCOC3)C2)nn1 ZINC001098706008 826521962 /nfs/dbraw/zinc/52/19/62/826521962.db2.gz OVCFFVGMIHSKIM-UKRRQHHQSA-N 1 2 321.356 -0.097 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](COC)OC)C2)nn1 ZINC001098723099 826522816 /nfs/dbraw/zinc/52/28/16/826522816.db2.gz UHBMWJMLCSLJHB-UONOGXRCSA-N 1 2 321.381 -0.564 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)Cn3cncn3)C2)nn1 ZINC001098779910 826528367 /nfs/dbraw/zinc/52/83/67/826528367.db2.gz NFHZUNWRTVJJTO-ZDUSSCGKSA-N 1 2 314.353 -0.934 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3nonc3C)C2)nn1 ZINC001098789364 826529749 /nfs/dbraw/zinc/52/97/49/826529749.db2.gz BQCNNAYPBBJHSX-LBPRGKRZSA-N 1 2 315.337 -0.220 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](O)C1 ZINC001099622720 826588851 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C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@@H](O)C1 ZINC001100137371 826890682 /nfs/dbraw/zinc/89/06/82/826890682.db2.gz YNOHLDXQKXPZGG-NEPJUHHUSA-N 1 2 318.439 -0.205 20 30 DBEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@@H](O)C1 ZINC001100137371 826890694 /nfs/dbraw/zinc/89/06/94/826890694.db2.gz YNOHLDXQKXPZGG-NEPJUHHUSA-N 1 2 318.439 -0.205 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001100145405 826898909 /nfs/dbraw/zinc/89/89/09/826898909.db2.gz KRABKDKXHYLIDX-RYUDHWBXSA-N 1 2 321.381 -0.815 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001100145405 826898923 /nfs/dbraw/zinc/89/89/23/826898923.db2.gz KRABKDKXHYLIDX-RYUDHWBXSA-N 1 2 321.381 -0.815 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@H](O)C1 ZINC001100145406 826899059 /nfs/dbraw/zinc/89/90/59/826899059.db2.gz KRABKDKXHYLIDX-VXGBXAGGSA-N 1 2 321.381 -0.815 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@H](O)C1 ZINC001100145406 826899068 /nfs/dbraw/zinc/89/90/68/826899068.db2.gz KRABKDKXHYLIDX-VXGBXAGGSA-N 1 2 321.381 -0.815 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001100145403 826900486 /nfs/dbraw/zinc/90/04/86/826900486.db2.gz KRABKDKXHYLIDX-NEPJUHHUSA-N 1 2 321.381 -0.815 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](O)C1 ZINC001100145403 826900499 /nfs/dbraw/zinc/90/04/99/826900499.db2.gz KRABKDKXHYLIDX-NEPJUHHUSA-N 1 2 321.381 -0.815 20 30 DBEDLO C=C[C@@](C)(O)CC(=O)NCC1CC([NH2+]Cc2nnn(C)n2)C1 ZINC001100285555 826929712 /nfs/dbraw/zinc/92/97/12/826929712.db2.gz LWLDUYNQWXHNEJ-QIMFLAQGSA-N 1 2 308.386 -0.478 20 30 DBEDLO C#C[C@H](C)Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC001163156067 833135597 /nfs/dbraw/zinc/13/55/97/833135597.db2.gz UZSKZSXLOIXGDF-LBPRGKRZSA-N 1 2 318.381 -0.600 20 30 DBEDLO C#C[C@H](C)Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001163156067 833135601 /nfs/dbraw/zinc/13/56/01/833135601.db2.gz UZSKZSXLOIXGDF-LBPRGKRZSA-N 1 2 318.381 -0.600 20 30 DBEDLO C#Cc1ccc(C(=O)NC2(CO)CC[NH+](CC(N)=O)CC2)cn1 ZINC001274937100 833142405 /nfs/dbraw/zinc/14/24/05/833142405.db2.gz VPMIJFIKSPGTMD-UHFFFAOYSA-N 1 2 316.361 -0.895 20 30 DBEDLO C=CC[NH+]1CC2(C1)C[C@H](NC(=O)C1(C(N)=O)CC1)c1nccn12 ZINC001101641506 827128711 /nfs/dbraw/zinc/12/87/11/827128711.db2.gz RWGVADSQKWOIIR-NSHDSACASA-N 1 2 315.377 -0.094 20 30 DBEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001101916580 827164302 /nfs/dbraw/zinc/16/43/02/827164302.db2.gz GRCQAPGJKXUEMW-JMSVASOKSA-N 1 2 322.413 -0.279 20 30 DBEDLO C=C[C@](C)(O)CC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001101916580 827164305 /nfs/dbraw/zinc/16/43/05/827164305.db2.gz GRCQAPGJKXUEMW-JMSVASOKSA-N 1 2 322.413 -0.279 20 30 DBEDLO C=CCO[C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102609514 827230515 /nfs/dbraw/zinc/23/05/15/827230515.db2.gz CBZZNYUHAUJLQN-JHJVBQTASA-N 1 2 322.413 -0.015 20 30 DBEDLO C=CCO[C@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102609514 827230524 /nfs/dbraw/zinc/23/05/24/827230524.db2.gz CBZZNYUHAUJLQN-JHJVBQTASA-N 1 2 322.413 -0.015 20 30 DBEDLO C=CCO[C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001102609513 827231526 /nfs/dbraw/zinc/23/15/26/827231526.db2.gz CBZZNYUHAUJLQN-FRRDWIJNSA-N 1 2 322.413 -0.015 20 30 DBEDLO C=CCO[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001102609513 827231538 /nfs/dbraw/zinc/23/15/38/827231538.db2.gz CBZZNYUHAUJLQN-FRRDWIJNSA-N 1 2 322.413 -0.015 20 30 DBEDLO C#CCNC(=O)CC(=O)N(C)[C@H]1CCN(c2cc[nH+]c(C)n2)C1 ZINC001102693821 827241297 /nfs/dbraw/zinc/24/12/97/827241297.db2.gz NPGAYLSTGOOQMD-ZDUSSCGKSA-N 1 2 315.377 -0.038 20 30 DBEDLO C[C@H](C#N)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nnn(C)n2)C1 ZINC001104005279 827316915 /nfs/dbraw/zinc/31/69/15/827316915.db2.gz YPNCESWOADFHTA-IJLUTSLNSA-N 1 2 305.386 -0.056 20 30 DBEDLO C[C@H](CNC(=O)Cc1c[nH+]cn1C)CNc1ccnc(C#N)n1 ZINC001104022917 827317571 /nfs/dbraw/zinc/31/75/71/827317571.db2.gz NZPQPGJLESSXQN-NSHDSACASA-N 1 2 313.365 -0.089 20 30 DBEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2nnn(C)n2)cn1 ZINC001275538502 833188899 /nfs/dbraw/zinc/18/88/99/833188899.db2.gz GTGQGNBEKIROFZ-QWRGUYRKSA-N 1 2 313.365 -0.117 20 30 DBEDLO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2nnn(C)n2)cn1 ZINC001275538501 833188998 /nfs/dbraw/zinc/18/89/98/833188998.db2.gz GTGQGNBEKIROFZ-MNOVXSKESA-N 1 2 313.365 -0.117 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)c1ncccc1O ZINC001275544439 833189167 /nfs/dbraw/zinc/18/91/67/833189167.db2.gz NAFGYMLIXXPNME-NSHDSACASA-N 1 2 304.350 -0.413 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)c1ncccc1O ZINC001275544439 833189171 /nfs/dbraw/zinc/18/91/71/833189171.db2.gz NAFGYMLIXXPNME-NSHDSACASA-N 1 2 304.350 -0.413 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C)on3)C2)nn1 ZINC001105150638 827389192 /nfs/dbraw/zinc/38/91/92/827389192.db2.gz MAQGIFWNHXUYJX-UHFFFAOYSA-N 1 2 300.322 -0.006 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(CC)n[nH]3)C2)nn1 ZINC001105164457 827393062 /nfs/dbraw/zinc/39/30/62/827393062.db2.gz CGERNDIFUNGBSI-UHFFFAOYSA-N 1 2 313.365 -0.017 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3OCC)C2)nn1 ZINC001105171152 827393672 /nfs/dbraw/zinc/39/36/72/827393672.db2.gz AVVQCGBSVQXPQN-ZIAGYGMSSA-N 1 2 303.366 -0.191 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnsn3)C2)nn1 ZINC001105171998 827395147 /nfs/dbraw/zinc/39/51/47/827395147.db2.gz WOGATEYKGAQAKF-UHFFFAOYSA-N 1 2 317.378 -0.060 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CSCC#N)C2)nn1 ZINC001105171385 827395747 /nfs/dbraw/zinc/39/57/47/827395747.db2.gz JOYPNXDXHFSZLK-UHFFFAOYSA-N 1 2 304.379 -0.359 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CCCO3)C2)nn1 ZINC001105171745 827395765 /nfs/dbraw/zinc/39/57/65/827395765.db2.gz QZDURASRMZPJIH-AWEZNQCLSA-N 1 2 303.366 -0.047 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 ZINC001105189667 827401236 /nfs/dbraw/zinc/40/12/36/827401236.db2.gz JODPKAJOBGAZTH-CYBMUJFWSA-N 1 2 316.365 -0.947 20 30 DBEDLO C=CCOCC(=O)N1CC(n2cc(C[NH2+]CC#CC)nn2)C1 ZINC001105192121 827402706 /nfs/dbraw/zinc/40/27/06/827402706.db2.gz LMQUCVJDYILHJC-UHFFFAOYSA-N 1 2 303.366 -0.023 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCn3ccnn3)C2)nn1 ZINC001105221212 827407995 /nfs/dbraw/zinc/40/79/95/827407995.db2.gz BVOSOOWBNHSGBU-UHFFFAOYSA-N 1 2 314.353 -0.934 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnnn3CC)C2)nn1 ZINC001105230492 827410827 /nfs/dbraw/zinc/41/08/27/827410827.db2.gz JGIXFVWLTCSGKD-UHFFFAOYSA-N 1 2 314.353 -0.691 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnnn3C)C2)nn1 ZINC001105225650 827410950 /nfs/dbraw/zinc/41/09/50/827410950.db2.gz YHVSAVHSVVKGJI-UHFFFAOYSA-N 1 2 314.353 -0.783 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)CCOCC#C)C2)nn1 ZINC001105240665 827413416 /nfs/dbraw/zinc/41/34/16/827413416.db2.gz XKMQPAMLRKNJDH-UHFFFAOYSA-N 1 2 301.350 -0.576 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CO[C@@H](C)C3)C2)nn1 ZINC001105271111 827417055 /nfs/dbraw/zinc/41/70/55/827417055.db2.gz WSVARUGFQRDTEF-RYUDHWBXSA-N 1 2 303.366 -0.191 20 30 DBEDLO C#CCC[NH2+]Cc1cn(C2CN(C(=O)c3[nH]nnc3C)C2)nn1 ZINC001105294756 827420831 /nfs/dbraw/zinc/42/08/31/827420831.db2.gz DYONESRKXGSJIR-UHFFFAOYSA-N 1 2 314.353 -0.485 20 30 DBEDLO C=CC(C)(C)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105297905 827421847 /nfs/dbraw/zinc/42/18/47/827421847.db2.gz XTWGOYULWONMNK-UHFFFAOYSA-N 1 2 306.370 -0.552 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccncn3)C2)nn1 ZINC001105347347 827434875 /nfs/dbraw/zinc/43/48/75/827434875.db2.gz APNXDNZVAJHYFI-UHFFFAOYSA-N 1 2 311.349 -0.122 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cn(CC)nn3)C2)nn1 ZINC001105352240 827435704 /nfs/dbraw/zinc/43/57/04/827435704.db2.gz SIYLJQJUISVJOM-UHFFFAOYSA-N 1 2 314.353 -0.691 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ncc[nH]3)C2)nn1 ZINC001105349895 827436006 /nfs/dbraw/zinc/43/60/06/827436006.db2.gz SJCDOSJUDIVVCA-UHFFFAOYSA-N 1 2 313.365 -0.260 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)N1CC(n2cc(CNCC#N)nn2)C1 ZINC001105361255 827438111 /nfs/dbraw/zinc/43/81/11/827438111.db2.gz VKJAGESFPUXBSN-UHFFFAOYSA-N 1 2 314.353 -0.749 20 30 DBEDLO Cc1nc(N(C)C)nc(NC[C@@H](O)CNC(=O)[C@@H](C)C#N)[nH+]1 ZINC001105773847 827497798 /nfs/dbraw/zinc/49/77/98/827497798.db2.gz NUMYOUWKQGCRTG-WPRPVWTQSA-N 1 2 307.358 -0.705 20 30 DBEDLO Cc1nc(N(C)C)nc(NC[C@H](O)CNC(=O)[C@H](C)C#N)[nH+]1 ZINC001105773839 827498134 /nfs/dbraw/zinc/49/81/34/827498134.db2.gz NUMYOUWKQGCRTG-PSASIEDQSA-N 1 2 307.358 -0.705 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ncccc1O ZINC001275812173 833211034 /nfs/dbraw/zinc/21/10/34/833211034.db2.gz VPMXQAJIQMICES-RYUDHWBXSA-N 1 2 318.377 -0.025 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1ncccc1O ZINC001275812173 833211041 /nfs/dbraw/zinc/21/10/41/833211041.db2.gz VPMXQAJIQMICES-RYUDHWBXSA-N 1 2 318.377 -0.025 20 30 DBEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)Cn2cc[nH+]c2)c(F)c1 ZINC001105883419 827543940 /nfs/dbraw/zinc/54/39/40/827543940.db2.gz UEFOGNIZJBVGDL-NSHDSACASA-N 1 2 318.312 -0.122 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@H](O)CNc1nccnc1C#N ZINC001105914318 827553826 /nfs/dbraw/zinc/55/38/26/827553826.db2.gz UEDJUWYWDBHTSM-NSHDSACASA-N 1 2 315.337 -0.787 20 30 DBEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001105937757 827562667 /nfs/dbraw/zinc/56/26/67/827562667.db2.gz QWPDNBQNAVWFGO-GFCCVEGCSA-N 1 2 300.322 -0.192 20 30 DBEDLO Cc1cc(NC[C@H](O)CNC(=O)Cc2[nH]cc[nH+]2)c(C#N)cn1 ZINC001105938472 827564073 /nfs/dbraw/zinc/56/40/73/827564073.db2.gz XISSTLPHUHTZDW-LBPRGKRZSA-N 1 2 314.349 -0.462 20 30 DBEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)CCn2cc[nH+]c2)nn1 ZINC001106039330 827595128 /nfs/dbraw/zinc/59/51/28/827595128.db2.gz QJHWOHZHLJOAPS-GFCCVEGCSA-N 1 2 315.337 -0.476 20 30 DBEDLO Cc1cc(NC[C@@H](O)CNC(=O)Cc2c[nH]c[nH+]2)c(C#N)cn1 ZINC001106129181 827625834 /nfs/dbraw/zinc/62/58/34/827625834.db2.gz DFWFTHXMQQGQGS-CYBMUJFWSA-N 1 2 314.349 -0.462 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)c1c[nH]c(C)cc1=O ZINC001275971168 833228261 /nfs/dbraw/zinc/22/82/61/833228261.db2.gz ZDXCWXQSOKEMBJ-GFCCVEGCSA-N 1 2 318.377 -0.517 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)c1c[nH]c(C)cc1=O ZINC001275971168 833228265 /nfs/dbraw/zinc/22/82/65/833228265.db2.gz ZDXCWXQSOKEMBJ-GFCCVEGCSA-N 1 2 318.377 -0.517 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cn3cccn3)nn2)C1 ZINC001107125083 827707149 /nfs/dbraw/zinc/70/71/49/827707149.db2.gz ILTQDGOLVZYCNU-UHFFFAOYSA-N 1 2 301.354 -0.166 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)CC(=O)NC)nn2)C1 ZINC001107161132 827716045 /nfs/dbraw/zinc/71/60/45/827716045.db2.gz ZFQHOWGXSJWRSR-UHFFFAOYSA-N 1 2 306.370 -0.537 20 30 DBEDLO C=C[C@](C)(O)CC(=O)NCc1cn(C2C[NH+](CCOC)C2)nn1 ZINC001107164135 827716674 /nfs/dbraw/zinc/71/66/74/827716674.db2.gz RNWPWIYXWCRUPF-HNNXBMFYSA-N 1 2 323.397 -0.276 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](COC)OC)nn2)C1 ZINC001107207765 827727305 /nfs/dbraw/zinc/72/73/05/827727305.db2.gz DQVMLACCXVILES-ZDUSSCGKSA-N 1 2 309.370 -0.402 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)OCCOC)nn2)C1 ZINC001107217472 827729053 /nfs/dbraw/zinc/72/90/53/827729053.db2.gz MLASYNNGQROWSZ-LBPRGKRZSA-N 1 2 323.397 -0.012 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)C[C@H]3CCC(=O)N3)nn2)C1 ZINC001107218603 827729352 /nfs/dbraw/zinc/72/93/52/827729352.db2.gz HFJSVOWRNZURFC-LLVKDONJSA-N 1 2 318.381 -0.394 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)Cc3ncc[nH]3)nn2)C1 ZINC001107221952 827730358 /nfs/dbraw/zinc/73/03/58/827730358.db2.gz IBXVHCWDKKTOKW-UHFFFAOYSA-N 1 2 313.365 -0.260 20 30 DBEDLO C#CCN1CC(n2cc(CNC(=O)Cc3[nH]c[nH+]c3C)nn2)C1 ZINC001107233031 827733242 /nfs/dbraw/zinc/73/32/42/827733242.db2.gz AGWKGGJCEGYLJL-UHFFFAOYSA-N 1 2 313.365 -0.342 20 30 DBEDLO C#CCC[NH+]1CC(CCO)(NC(=O)[C@@H]2CCCC(=O)N2C)C1 ZINC001276100650 833244634 /nfs/dbraw/zinc/24/46/34/833244634.db2.gz DXGGQGWTBXYHIP-ZDUSSCGKSA-N 1 2 307.394 -0.426 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)C2CN(C(C)=O)C2)C1 ZINC001107898675 827831300 /nfs/dbraw/zinc/83/13/00/827831300.db2.gz 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C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(-c3nc[nH]n3)c2)[C@@H](O)C1 ZINC001083694260 824733746 /nfs/dbraw/zinc/73/37/46/824733746.db2.gz QBEBABHHOXKSOR-KGLIPLIRSA-N 1 2 311.345 -0.120 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3ccccn3)c2)[C@@H](O)C1 ZINC001083829490 824786763 /nfs/dbraw/zinc/78/67/63/824786763.db2.gz QVPHTQBDQDGFIS-KGLIPLIRSA-N 1 2 311.345 -0.325 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3ccccn3)c2)[C@@H](O)C1 ZINC001083829490 824786770 /nfs/dbraw/zinc/78/67/70/824786770.db2.gz QVPHTQBDQDGFIS-KGLIPLIRSA-N 1 2 311.345 -0.325 20 30 DBEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2O)nn1 ZINC001083842877 824789434 /nfs/dbraw/zinc/78/94/34/824789434.db2.gz HTMDMFRGXBBCPO-FQVWWYAISA-N 1 2 311.773 -0.009 20 30 DBEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2O)nn1 ZINC001083842877 824789436 /nfs/dbraw/zinc/78/94/36/824789436.db2.gz HTMDMFRGXBBCPO-FQVWWYAISA-N 1 2 311.773 -0.009 20 30 DBEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](F)CC)C[C@@H]2O)nn1 ZINC001083843483 824790867 /nfs/dbraw/zinc/79/08/67/824790867.db2.gz JVUSOPJJAGFILX-LOWVWBTDSA-N 1 2 311.361 -0.013 20 30 DBEDLO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](C[C@@H](F)CC)C[C@@H]2O)nn1 ZINC001083843483 824790870 /nfs/dbraw/zinc/79/08/70/824790870.db2.gz JVUSOPJJAGFILX-LOWVWBTDSA-N 1 2 311.361 -0.013 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 ZINC001083864491 824796334 /nfs/dbraw/zinc/79/63/34/824796334.db2.gz RFBZWVAWXSTTOK-KGLIPLIRSA-N 1 2 309.410 -0.718 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)N2CCOCC2)[C@@H](O)C1 ZINC001083864491 824796341 /nfs/dbraw/zinc/79/63/41/824796341.db2.gz RFBZWVAWXSTTOK-KGLIPLIRSA-N 1 2 309.410 -0.718 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)[C@@H](O)C1 ZINC001083903852 824822690 /nfs/dbraw/zinc/82/26/90/824822690.db2.gz YROKQZVSMSMTMJ-KGLIPLIRSA-N 1 2 304.394 -0.118 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)c2cnn(C)c2)[C@@H](O)C1 ZINC001083903852 824822697 /nfs/dbraw/zinc/82/26/97/824822697.db2.gz 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CC#CC[N@@H+]1C[C@@H](NC(=O)c2c3c(nn2C)CCC3)[C@@H](O)C1 ZINC001083947276 824839540 /nfs/dbraw/zinc/83/95/40/824839540.db2.gz NLJZRPNFQCXXOS-KGLIPLIRSA-N 1 2 302.378 -0.293 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2n[nH]c(=O)c3ccccc32)[C@@H](O)C1 ZINC001083981753 824848432 /nfs/dbraw/zinc/84/84/32/824848432.db2.gz ITHABRVHOKFJJX-OLZOCXBDSA-N 1 2 312.329 -0.257 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2n[nH]c(=O)c3ccccc32)[C@@H](O)C1 ZINC001083981753 824848437 /nfs/dbraw/zinc/84/84/37/824848437.db2.gz ITHABRVHOKFJJX-OLZOCXBDSA-N 1 2 312.329 -0.257 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@@H](O)C1 ZINC001084023502 824859471 /nfs/dbraw/zinc/85/94/71/824859471.db2.gz VHGYLOIJCYLYLP-NEPJUHHUSA-N 1 2 314.349 -0.851 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2nc3nc(C)cc(C)n3n2)[C@@H](O)C1 ZINC001084023502 824859482 /nfs/dbraw/zinc/85/94/82/824859482.db2.gz VHGYLOIJCYLYLP-NEPJUHHUSA-N 1 2 314.349 -0.851 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2Cc3cccc(F)c3O2)[C@@H](O)C1 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DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3ccnnc3)CC2=O)C1 ZINC001094790687 826288036 /nfs/dbraw/zinc/28/80/36/826288036.db2.gz OQVLILWUHBBKLJ-LBPRGKRZSA-N 1 2 301.350 -0.323 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)C[C@@H]3CCC(=O)N3)CC2=O)C1 ZINC001094795636 826288736 /nfs/dbraw/zinc/28/87/36/826288736.db2.gz UXPAVRXFDXZSTA-RYUDHWBXSA-N 1 2 320.393 -0.758 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cnn(C)n3)CC2=O)C1 ZINC001094795044 826288920 /nfs/dbraw/zinc/28/89/20/826288920.db2.gz GATRLQJQVGGQPC-JTQLQIEISA-N 1 2 304.354 -0.984 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3ncccn3)CC2=O)C1 ZINC001094803903 826291391 /nfs/dbraw/zinc/29/13/91/826291391.db2.gz QNNFSDLFHFIZFA-NSHDSACASA-N 1 2 301.350 -0.323 20 30 DBEDLO C=CCC[NH+]1CC(N2C[C@@H](NC(=O)Cc3nnc[nH]3)CC2=O)C1 ZINC001094803610 826291486 /nfs/dbraw/zinc/29/14/86/826291486.db2.gz HUPPUJOMCLJBSQ-NSHDSACASA-N 1 2 318.381 -0.675 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3cn(CC)nn3)CC2=O)C1 ZINC001094803532 826291561 /nfs/dbraw/zinc/29/15/61/826291561.db2.gz NQQFKDPKHLYLMX-LLVKDONJSA-N 1 2 318.381 -0.501 20 30 DBEDLO C[C@H]1CN(C(=O)CSCC#N)C[C@@H]1[NH2+]Cc1nnn(C)n1 ZINC001274173388 833039539 /nfs/dbraw/zinc/03/95/39/833039539.db2.gz VPRVHMRRMAZNPJ-UWVGGRQHSA-N 1 2 309.399 -0.597 20 30 DBEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(N)=O)nn1 ZINC001096126713 826358191 /nfs/dbraw/zinc/35/81/91/826358191.db2.gz IYFXMAJJTHOCLN-NOHGZBONSA-N 1 2 318.381 -0.327 20 30 DBEDLO C=CCn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(N)=O)nn1 ZINC001096126713 826358198 /nfs/dbraw/zinc/35/81/98/826358198.db2.gz IYFXMAJJTHOCLN-NOHGZBONSA-N 1 2 318.381 -0.327 20 30 DBEDLO COCCC(=O)NCC[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC001096259746 826365849 /nfs/dbraw/zinc/36/58/49/826365849.db2.gz HYEMJYINBUYCJD-UHFFFAOYSA-N 1 2 318.381 -0.377 20 30 DBEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)C3CC3)CC2)nn1 ZINC001096260526 826366356 /nfs/dbraw/zinc/36/63/56/826366356.db2.gz GDXGFBFWBAZEMB-UHFFFAOYSA-N 1 2 300.366 -0.004 20 30 DBEDLO N#Cc1cnccc1N1CC[NH+](CCNC(=O)CC(N)=O)CC1 ZINC001096275215 826366659 /nfs/dbraw/zinc/36/66/59/826366659.db2.gz TWTHWGRZIJYDEL-UHFFFAOYSA-N 1 2 316.365 -0.933 20 30 DBEDLO CO[C@H](C)C(=O)NCC[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC001096270590 826367021 /nfs/dbraw/zinc/36/70/21/826367021.db2.gz AYXBZBVCLGOJKN-GFCCVEGCSA-N 1 2 318.381 -0.379 20 30 DBEDLO N#Cc1ccc(N2CC[NH+](CCNC(=O)CC(N)=O)CC2)cn1 ZINC001096275314 826367218 /nfs/dbraw/zinc/36/72/18/826367218.db2.gz XEHLLAUVQORAON-UHFFFAOYSA-N 1 2 316.365 -0.933 20 30 DBEDLO CO[C@@H](C)C(=O)NCC[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC001096271072 826367257 /nfs/dbraw/zinc/36/72/57/826367257.db2.gz UNXUOSHIDQMNLH-LBPRGKRZSA-N 1 2 318.381 -0.379 20 30 DBEDLO C#CCNC(=O)CC(=O)N1CC[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001096934720 826402755 /nfs/dbraw/zinc/40/27/55/826402755.db2.gz QKBSYTQPNPPGBR-LBPRGKRZSA-N 1 2 301.350 -0.063 20 30 DBEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 ZINC001098212881 826455717 /nfs/dbraw/zinc/45/57/17/826455717.db2.gz PFZQRTVRKXEYNZ-FOGDFJRCSA-N 1 2 312.333 -0.614 20 30 DBEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n3[nH]cnc3n1)C2 ZINC001098212881 826455723 /nfs/dbraw/zinc/45/57/23/826455723.db2.gz PFZQRTVRKXEYNZ-FOGDFJRCSA-N 1 2 312.333 -0.614 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnccn3)C2)nn1 ZINC001098600452 826505799 /nfs/dbraw/zinc/50/57/99/826505799.db2.gz BCWIEDLGXMWFGO-CYBMUJFWSA-N 1 2 311.349 -0.122 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)NC(C)=O)C2)nn1 ZINC001098607888 826507033 /nfs/dbraw/zinc/50/70/33/826507033.db2.gz IFOYLRLPJUXZGI-RISCZKNCSA-N 1 2 318.381 -0.701 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COCC=C)C2)nn1 ZINC001098644946 826514294 /nfs/dbraw/zinc/51/42/94/826514294.db2.gz FYFNJBYAJKSUCG-AWEZNQCLSA-N 1 2 303.366 -0.023 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cn(C)nn3)C2)nn1 ZINC001098667177 826516353 /nfs/dbraw/zinc/51/63/53/826516353.db2.gz SGWDHPWLYGHFQL-GFCCVEGCSA-N 1 2 314.353 -0.783 20 30 DBEDLO CC(C)C#CC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098669217 826517645 /nfs/dbraw/zinc/51/76/45/826517645.db2.gz KNSGMVRVBZPRTD-ZDUSSCGKSA-N 1 2 318.381 -0.714 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H](C)OCC#C)C2)nn1 ZINC001098673939 826518225 /nfs/dbraw/zinc/51/82/25/826518225.db2.gz WIEHHNPNKOOBFV-ZFWWWQNUSA-N 1 2 315.377 -0.187 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H](COC)OC)C2)nn1 ZINC001098723096 826522767 /nfs/dbraw/zinc/52/27/67/826522767.db2.gz UHBMWJMLCSLJHB-KGLIPLIRSA-N 1 2 321.381 -0.564 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cccnn3)C2)nn1 ZINC001098752388 826526280 /nfs/dbraw/zinc/52/62/80/826526280.db2.gz XITIJJAFFKWEKJ-CYBMUJFWSA-N 1 2 311.349 -0.122 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cccnn3)C2)nn1 ZINC001098752389 826526873 /nfs/dbraw/zinc/52/68/73/826526873.db2.gz XITIJJAFFKWEKJ-ZDUSSCGKSA-N 1 2 311.349 -0.122 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ncccn3)C2)nn1 ZINC001098757191 826527135 /nfs/dbraw/zinc/52/71/35/826527135.db2.gz IXOHVUGXMXBGBB-ZDUSSCGKSA-N 1 2 311.349 -0.122 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)[C@H](O)C1 ZINC001099611733 826577960 /nfs/dbraw/zinc/57/79/60/826577960.db2.gz WOSAKMKBXJKZRR-ZIAGYGMSSA-N 1 2 307.394 -0.523 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2CCCC2)[C@H](O)C1 ZINC001099611733 826577964 /nfs/dbraw/zinc/57/79/64/826577964.db2.gz WOSAKMKBXJKZRR-ZIAGYGMSSA-N 1 2 307.394 -0.523 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccco2)[C@@H](O)C1 ZINC001099624391 826590017 /nfs/dbraw/zinc/59/00/17/826590017.db2.gz QLEGNCZTMRTISQ-RYUDHWBXSA-N 1 2 307.350 -0.253 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccco2)[C@@H](O)C1 ZINC001099624391 826590018 /nfs/dbraw/zinc/59/00/18/826590018.db2.gz QLEGNCZTMRTISQ-RYUDHWBXSA-N 1 2 307.350 -0.253 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC001099636092 826594239 /nfs/dbraw/zinc/59/42/39/826594239.db2.gz KFELWYSNSMFMKF-ZIAGYGMSSA-N 1 2 318.377 -0.451 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC001099636092 826594240 /nfs/dbraw/zinc/59/42/40/826594240.db2.gz KFELWYSNSMFMKF-ZIAGYGMSSA-N 1 2 318.377 -0.451 20 30 DBEDLO Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)o1 ZINC001099641607 826596585 /nfs/dbraw/zinc/59/65/85/826596585.db2.gz FGNOEDCPZCYWTM-NWDGAFQWSA-N 1 2 320.349 -0.607 20 30 DBEDLO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)o1 ZINC001099641607 826596589 /nfs/dbraw/zinc/59/65/89/826596589.db2.gz FGNOEDCPZCYWTM-NWDGAFQWSA-N 1 2 320.349 -0.607 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccsc2)[C@H](O)C1 ZINC001099650576 826602468 /nfs/dbraw/zinc/60/24/68/826602468.db2.gz HGJFYEBZIHKXAO-QWHCGFSZSA-N 1 2 321.402 -0.338 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccsc2)[C@H](O)C1 ZINC001099650576 826602471 /nfs/dbraw/zinc/60/24/71/826602471.db2.gz HGJFYEBZIHKXAO-QWHCGFSZSA-N 1 2 321.402 -0.338 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001099655036 826605712 /nfs/dbraw/zinc/60/57/12/826605712.db2.gz VYZGDWIBIJNSPC-WCQYABFASA-N 1 2 306.366 -0.518 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC001099655036 826605715 /nfs/dbraw/zinc/60/57/15/826605715.db2.gz VYZGDWIBIJNSPC-WCQYABFASA-N 1 2 306.366 -0.518 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCSC)[C@H](O)C1 ZINC001099656850 826606949 /nfs/dbraw/zinc/60/69/49/826606949.db2.gz LEZLDBBOUVFUGF-NWDGAFQWSA-N 1 2 313.423 -0.960 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCSC)[C@H](O)C1 ZINC001099656850 826606953 /nfs/dbraw/zinc/60/69/53/826606953.db2.gz LEZLDBBOUVFUGF-NWDGAFQWSA-N 1 2 313.423 -0.960 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC(C)C)[C@@H](O)C1 ZINC001099662838 826609452 /nfs/dbraw/zinc/60/94/52/826609452.db2.gz DZVJBONCTCIYDV-KGLIPLIRSA-N 1 2 309.410 -0.277 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC(C)C)[C@@H](O)C1 ZINC001099662838 826609455 /nfs/dbraw/zinc/60/94/55/826609455.db2.gz DZVJBONCTCIYDV-KGLIPLIRSA-N 1 2 309.410 -0.277 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](O)C1 ZINC001099671102 826612483 /nfs/dbraw/zinc/61/24/83/826612483.db2.gz BZUIWACMWLJMRX-OLZOCXBDSA-N 1 2 309.410 -0.277 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)[C@@H](O)C1 ZINC001099671102 826612484 /nfs/dbraw/zinc/61/24/84/826612484.db2.gz BZUIWACMWLJMRX-OLZOCXBDSA-N 1 2 309.410 -0.277 20 30 DBEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099679389 826616122 /nfs/dbraw/zinc/61/61/22/826616122.db2.gz ZQRHDUMWJOMBJC-RYUDHWBXSA-N 1 2 313.789 -0.028 20 30 DBEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@@H](O)C1 ZINC001099679389 826616127 /nfs/dbraw/zinc/61/61/27/826616127.db2.gz ZQRHDUMWJOMBJC-RYUDHWBXSA-N 1 2 313.789 -0.028 20 30 DBEDLO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099679388 826616271 /nfs/dbraw/zinc/61/62/71/826616271.db2.gz ZQRHDUMWJOMBJC-NWDGAFQWSA-N 1 2 313.789 -0.028 20 30 DBEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCn2cncn2)[C@H](O)C1 ZINC001099679388 826616278 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N#CCNCc1cn(C2CN(C(=O)CCc3c[nH+]c[nH]3)C2)nn1 ZINC001105253878 827414668 /nfs/dbraw/zinc/41/46/68/827414668.db2.gz IEUBNRSDJUCUNO-UHFFFAOYSA-N 1 2 314.353 -0.370 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3OCCO[C@H]3C)C2)nn1 ZINC001105262369 827415869 /nfs/dbraw/zinc/41/58/69/827415869.db2.gz YJYYEOXPYLEBOX-FZMZJTMJSA-N 1 2 319.365 -0.812 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CO[C@@H](C)C3)C2)nn1 ZINC001105271110 827416725 /nfs/dbraw/zinc/41/67/25/827416725.db2.gz WSVARUGFQRDTEF-NWDGAFQWSA-N 1 2 303.366 -0.191 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cncn3C)C2)nn1 ZINC001105276498 827418186 /nfs/dbraw/zinc/41/81/86/827418186.db2.gz LLQNOXMVNNIAQM-UHFFFAOYSA-N 1 2 313.365 -0.178 20 30 DBEDLO C=CC[NH2+]Cc1cn(C2CN(C(=O)c3[nH]nnc3C)C2)nn1 ZINC001105294974 827420790 /nfs/dbraw/zinc/42/07/90/827420790.db2.gz RNOLAMVZDGNRMW-UHFFFAOYSA-N 1 2 302.342 -0.323 20 30 DBEDLO C=C[C@H](C)[C@H](C)C(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105305941 827423275 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/nfs/dbraw/zinc/29/85/29/828298529.db2.gz ZYPAPKPUXOIUIR-NHYWBVRUSA-N 1 2 317.349 -0.101 20 30 DBEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001111666874 828301460 /nfs/dbraw/zinc/30/14/60/828301460.db2.gz NXSZDMHCGRLODE-ZETOZRRWSA-N 1 2 318.381 -0.261 20 30 DBEDLO C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1nc(=O)n(C)[nH]1)C2 ZINC001111666874 828301470 /nfs/dbraw/zinc/30/14/70/828301470.db2.gz NXSZDMHCGRLODE-ZETOZRRWSA-N 1 2 318.381 -0.261 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnon2)C1 ZINC001111906262 828321222 /nfs/dbraw/zinc/32/12/22/828321222.db2.gz ABPSCFCJNRNUGA-HZMBPMFUSA-N 1 2 318.337 -0.706 20 30 DBEDLO N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cnon2)C1 ZINC001111906262 828321231 /nfs/dbraw/zinc/32/12/31/828321231.db2.gz ABPSCFCJNRNUGA-HZMBPMFUSA-N 1 2 318.337 -0.706 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2nnc[nH]2)C1 ZINC001111908350 828323464 /nfs/dbraw/zinc/32/34/64/828323464.db2.gz UZYLUHUCZGWLKY-NHYWBVRUSA-N 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829245425 /nfs/dbraw/zinc/24/54/25/829245425.db2.gz WSBWHVRFDCHXEV-AWEZNQCLSA-N 1 2 308.382 -0.317 20 30 DBEDLO C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC001119329148 829249618 /nfs/dbraw/zinc/24/96/18/829249618.db2.gz FOXGALGFQGAYNS-WOPDTQHZSA-N 1 2 309.366 -0.345 20 30 DBEDLO C=C(C)Nc1[nH+]cnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001174788117 833382916 /nfs/dbraw/zinc/38/29/16/833382916.db2.gz TXMFCCWTANLGQS-ZHSDAYTOSA-N 1 2 306.322 -0.012 20 30 DBEDLO C=CCn1nnnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001119716078 829295794 /nfs/dbraw/zinc/29/57/94/829295794.db2.gz LCIFUVGYZQIBKY-CYBMUJFWSA-N 1 2 319.413 -0.008 20 30 DBEDLO C#CC[NH+]1CCC(C(=O)N2CCS(=O)(=O)CCO2)CC1 ZINC001121199093 829445681 /nfs/dbraw/zinc/44/56/81/829445681.db2.gz MOUJYRLQNXUBIG-UHFFFAOYSA-N 1 2 300.380 -0.480 20 30 DBEDLO C=CCOCC(=O)NC[C@H](CO)Nc1[nH+]cnc2c1cnn2C ZINC001121324881 829462860 /nfs/dbraw/zinc/46/28/60/829462860.db2.gz RQYRCTZPPFFNBU-SNVBAGLBSA-N 1 2 320.353 -0.545 20 30 DBEDLO C#CC[NH+]1CCN(c2nnc([C@@H]3CC(=O)N(CC)C3)n2C)CC1 ZINC001121370891 829471056 /nfs/dbraw/zinc/47/10/56/829471056.db2.gz LPSIHLNMIKLSRG-CYBMUJFWSA-N 1 2 316.409 -0.094 20 30 DBEDLO C#CC[NH+]1CCN(c2nnc([C@H]3CC(=O)N(CC)C3)n2C)CC1 ZINC001121370892 829471261 /nfs/dbraw/zinc/47/12/61/829471261.db2.gz LPSIHLNMIKLSRG-ZDUSSCGKSA-N 1 2 316.409 -0.094 20 30 DBEDLO C#CC[NH+]1CCN(c2nnc(Cc3nnc(C)o3)n2C)CC1 ZINC001121465494 829486306 /nfs/dbraw/zinc/48/63/06/829486306.db2.gz RARXEFIJGGQPGA-UHFFFAOYSA-N 1 2 301.354 -0.147 20 30 DBEDLO N#Cc1nccc(N[C@H](CO)CNC(=O)CCc2[nH]cc[nH+]2)n1 ZINC001121496538 829488276 /nfs/dbraw/zinc/48/82/76/829488276.db2.gz IEYMLSZCRDAFRL-JTQLQIEISA-N 1 2 315.337 -0.985 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)Nc1cncc(C#N)n1 ZINC001121801986 829513588 /nfs/dbraw/zinc/51/35/88/829513588.db2.gz YIUSSEKHRDAEJA-NSHDSACASA-N 1 2 315.337 -0.787 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@H](CO)Nc1ncccc1C#N ZINC001121799121 829513714 /nfs/dbraw/zinc/51/37/14/829513714.db2.gz 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C#CCNC(=O)C[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001486368568 1013831504 /nfs/dbraw/zinc/83/15/04/1013831504.db2.gz SNLKNYIXJBJIQM-CHWSQXEVSA-N 1 2 324.381 -0.430 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001486368568 1013831505 /nfs/dbraw/zinc/83/15/05/1013831505.db2.gz SNLKNYIXJBJIQM-CHWSQXEVSA-N 1 2 324.381 -0.430 20 30 DBEDLO Cc1nn[nH]c1C(=O)NCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001486513820 1013853940 /nfs/dbraw/zinc/85/39/40/1013853940.db2.gz ZTQXEJIGWHGCLC-UHFFFAOYSA-N 1 2 317.353 -0.885 20 30 DBEDLO Cc1nn[nH]c1C(=O)NCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001486513820 1013853942 /nfs/dbraw/zinc/85/39/42/1013853942.db2.gz ZTQXEJIGWHGCLC-UHFFFAOYSA-N 1 2 317.353 -0.885 20 30 DBEDLO C[C@@H](C#N)C(=O)NC1(CCO)CN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001487046382 1013938882 /nfs/dbraw/zinc/93/88/82/1013938882.db2.gz PKZNVESSWCDRFF-JTQLQIEISA-N 1 2 305.338 -0.809 20 30 DBEDLO C[C@@H](C#N)C(=O)NC[C@@H]1[C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@H]21 ZINC001487331855 1013973103 /nfs/dbraw/zinc/97/31/03/1013973103.db2.gz IZLBXHIWGBRFNP-FIQHERPVSA-N 1 2 301.350 -0.068 20 30 DBEDLO CC(C)C#CC(=O)NC[C@@H](CO)NC(=O)Cc1c[nH+]cn1C ZINC001487992080 1014099870 /nfs/dbraw/zinc/09/98/70/1014099870.db2.gz MXZSKPHSWCNAKQ-LBPRGKRZSA-N 1 2 306.366 -0.785 20 30 DBEDLO C#CCO[C@@H](C)C(=O)N1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001527158628 1014190475 /nfs/dbraw/zinc/19/04/75/1014190475.db2.gz HVSHLCOHIGLABH-UONOGXRCSA-N 1 2 318.377 -0.114 20 30 DBEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)C3=COCCO3)C2)CC1 ZINC001051977520 977586975 /nfs/dbraw/zinc/58/69/75/977586975.db2.gz YOQJXXCMVBLJII-CQSZACIVSA-N 1 2 305.378 -0.274 20 30 DBEDLO Cn1cc(C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)cn1 ZINC001051976817 977587111 /nfs/dbraw/zinc/58/71/11/977587111.db2.gz AVXDQAOSEDZHPQ-CQSZACIVSA-N 1 2 302.382 -0.224 20 30 DBEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)c3cnn(C)c3)C2)CC1 ZINC001051978525 977587142 /nfs/dbraw/zinc/58/71/42/977587142.db2.gz VGJLJKGBSCVVTM-HNNXBMFYSA-N 1 2 301.394 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/nfs/dbraw/zinc/60/32/23/977603223.db2.gz KKJMENBXGQERRD-CYBMUJFWSA-N 1 2 317.397 -0.521 20 30 DBEDLO C[C@H](C(N)=O)N1CC[NH+]([C@H]2CCN(C(=O)C#CC3CC3)C2)CC1 ZINC001052024720 977610315 /nfs/dbraw/zinc/61/03/15/977610315.db2.gz KYPGSWDPCVCDSG-HIFRSBDPSA-N 1 2 318.421 -0.508 20 30 DBEDLO C#CCN1CC[NH+]([C@@H]2CCN(C(=O)c3ncn(C)n3)C2)CC1 ZINC001052023561 977611292 /nfs/dbraw/zinc/61/12/92/977611292.db2.gz UDGWWJPWDIJCEG-CYBMUJFWSA-N 1 2 302.382 -0.720 20 30 DBEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ncn(C)n3)C2)CC1 ZINC001052023561 977611306 /nfs/dbraw/zinc/61/13/06/977611306.db2.gz UDGWWJPWDIJCEG-CYBMUJFWSA-N 1 2 302.382 -0.720 20 30 DBEDLO C#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cc3ccn(C)n3)C2)CC1 ZINC001052025521 977612723 /nfs/dbraw/zinc/61/27/23/977612723.db2.gz GKVOIYXNTQGCOR-MRXNPFEDSA-N 1 2 315.421 -0.186 20 30 DBEDLO CC#CC[NH+]1CCN([C@@H]2CCN(C(=O)Cn3nccn3)C2)CC1 ZINC001052032310 977613920 /nfs/dbraw/zinc/61/39/20/977613920.db2.gz FLGYLAKXPBXYKE-OAHLLOKOSA-N 1 2 316.409 -0.480 20 30 DBEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@]34C[C@H]3COC4)C2)CC1 ZINC001052031885 977615327 /nfs/dbraw/zinc/61/53/27/977615327.db2.gz ZVGWWBLVEMQWKR-ZOBUZTSGSA-N 1 2 303.406 -0.125 20 30 DBEDLO Cn1cncc1C(=O)N1CC[C@H]([NH+]2CCN(CC#N)CC2)C1 ZINC001052047205 977621645 /nfs/dbraw/zinc/62/16/45/977621645.db2.gz ITNXIQYRYLWQOQ-ZDUSSCGKSA-N 1 2 302.382 -0.224 20 30 DBEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CCNC3=O)C2)CC1 ZINC001052059299 977626299 /nfs/dbraw/zinc/62/62/99/977626299.db2.gz GJKIOHMJBYRCTA-GJZGRUSLSA-N 1 2 320.437 -0.083 20 30 DBEDLO C#CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC(=O)N3C)C2)CC1 ZINC001052068261 977632655 /nfs/dbraw/zinc/63/26/55/977632655.db2.gz CVWCGPOHPAPUNB-LSDHHAIUSA-N 1 2 318.421 -0.541 20 30 DBEDLO C=C(C)CN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CNC(=O)N3)C2)CC1 ZINC001052072984 977637514 /nfs/dbraw/zinc/63/75/14/977637514.db2.gz DVYKOGBNJKKPMU-UONOGXRCSA-N 1 2 321.425 -0.538 20 30 DBEDLO C#CCN1CC[NH+]([C@H]2CCN(C(=O)CCc3cn[nH]n3)C2)CC1 ZINC001052087383 977643172 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ZINC001412900518 1001640980 /nfs/dbraw/zinc/64/09/80/1001640980.db2.gz NPTAQZIPQRCGNA-LLVKDONJSA-N 1 2 319.365 -0.390 20 30 DBEDLO C[C@H](C#N)C(=O)N(C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001413380569 1001832946 /nfs/dbraw/zinc/83/29/46/1001832946.db2.gz KBPNETBEQYMRMR-VXGBXAGGSA-N 1 2 307.354 -0.680 20 30 DBEDLO C#CCOCCC(=O)NC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001495286790 1016601307 /nfs/dbraw/zinc/60/13/07/1016601307.db2.gz VTIQXHXFPLAHJH-CYBMUJFWSA-N 1 2 318.377 -0.043 20 30 DBEDLO N#C[C@]12CN(C(=O)CCn3cc[nH+]c3)C[C@H]1CS(=O)(=O)C2 ZINC001434402637 1002451374 /nfs/dbraw/zinc/45/13/74/1002451374.db2.gz VOLDMBOZYOMZEO-WCQYABFASA-N 1 2 308.363 -0.330 20 30 DBEDLO Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 ZINC001434402760 1002451979 /nfs/dbraw/zinc/45/19/79/1002451979.db2.gz XFPOBIINFRWAIA-SMDDNHRTSA-N 1 2 322.390 -0.251 20 30 DBEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001425900550 1002554381 /nfs/dbraw/zinc/55/43/81/1002554381.db2.gz AEPIUKKJPZZIGG-AAEUAGOBSA-N 1 2 321.381 -0.600 20 30 DBEDLO C[C@H](C#N)C(=O)N1CCc2sc(C[NH2+]CC(N)=O)nc2C1 ZINC001436496202 1002729140 /nfs/dbraw/zinc/72/91/40/1002729140.db2.gz RLTLYRLUBYKSDL-MRVPVSSYSA-N 1 2 307.379 -0.238 20 30 DBEDLO C[C@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001426302224 1002750159 /nfs/dbraw/zinc/75/01/59/1002750159.db2.gz OWEJGWSTMDVZFS-NEPJUHHUSA-N 1 2 319.365 -0.154 20 30 DBEDLO C[C@@H](C#N)C(=O)NCC[NH+]1CCN(Cc2ccn(C)n2)CC1 ZINC001436699786 1002757076 /nfs/dbraw/zinc/75/70/76/1002757076.db2.gz PILQRXLMKGTKCE-ZDUSSCGKSA-N 1 2 304.398 -0.186 20 30 DBEDLO CN(CCNC(=O)c1c[nH]c(C#N)c1)C(=O)Cn1cc[nH+]c1 ZINC001415475357 1002852647 /nfs/dbraw/zinc/85/26/47/1002852647.db2.gz KZLCQLWOKNTENM-UHFFFAOYSA-N 1 2 300.322 -0.029 20 30 DBEDLO C=C(Cl)C[N@H+](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001437463135 1003013376 /nfs/dbraw/zinc/01/33/76/1003013376.db2.gz POKPIMOKSFKGEA-UHFFFAOYSA-N 1 2 300.750 -0.823 20 30 DBEDLO C=C(Cl)C[N@@H+](C)CCNC(=O)Cn1cnc(C(N)=O)n1 ZINC001437463135 1003013394 /nfs/dbraw/zinc/01/33/94/1003013394.db2.gz POKPIMOKSFKGEA-UHFFFAOYSA-N 1 2 300.750 -0.823 20 30 DBEDLO C=C(Cl)C[N@H+](CC)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001437629660 1003098683 /nfs/dbraw/zinc/09/86/83/1003098683.db2.gz CJYNDDTWPWQQLG-VIFPVBQESA-N 1 2 302.762 -0.225 20 30 DBEDLO C=C(Cl)C[N@@H+](CC)CCNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001437629660 1003098698 /nfs/dbraw/zinc/09/86/98/1003098698.db2.gz CJYNDDTWPWQQLG-VIFPVBQESA-N 1 2 302.762 -0.225 20 30 DBEDLO N#Cc1cccc(-c2nn[nH]n2)c1N1CC2(C1)CC(=O)NCC[NH2+]2 ZINC001592697932 1016748017 /nfs/dbraw/zinc/74/80/17/1016748017.db2.gz CDKBUJPALZQXQM-UHFFFAOYSA-N 1 2 324.348 -0.593 20 30 DBEDLO N#CC[C@@H](O)C[NH+]1CCN(c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001592681889 1016748244 /nfs/dbraw/zinc/74/82/44/1016748244.db2.gz KRGGMVIRNWJXDO-GFCCVEGCSA-N 1 2 314.353 -0.342 20 30 DBEDLO N#Cc1nc(N2CC[N@@H+]3CCOC[C@H]3C2)cnc1-c1nn[nH]n1 ZINC001592706333 1016751702 /nfs/dbraw/zinc/75/17/02/1016751702.db2.gz PPGSEQBGHSYRIV-SECBINFHSA-N 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C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](CC(=O)NC2CCOCC2)C1 ZINC001438218042 1003380750 /nfs/dbraw/zinc/38/07/50/1003380750.db2.gz HNWGPPKDZSANLD-GXTWGEPZSA-N 1 2 322.409 -0.026 20 30 DBEDLO C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](CC(=O)NC2CCOCC2)C1 ZINC001438218042 1003380756 /nfs/dbraw/zinc/38/07/56/1003380756.db2.gz HNWGPPKDZSANLD-GXTWGEPZSA-N 1 2 322.409 -0.026 20 30 DBEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@H+](CC(=O)NC(N)=O)C1 ZINC001438221806 1003383455 /nfs/dbraw/zinc/38/34/55/1003383455.db2.gz OJIISDHXKBOSRO-JTQLQIEISA-N 1 2 318.337 -0.772 20 30 DBEDLO CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC001438221806 1003383463 /nfs/dbraw/zinc/38/34/63/1003383463.db2.gz OJIISDHXKBOSRO-JTQLQIEISA-N 1 2 318.337 -0.772 20 30 DBEDLO C=C(Cl)C[N@@H+](C)CCN(C)C(=O)CNS(=O)(=O)NC ZINC001438896967 1003733796 /nfs/dbraw/zinc/73/37/96/1003733796.db2.gz SYMLKLOGSPLPOD-UHFFFAOYSA-N 1 2 312.823 -0.817 20 30 DBEDLO C=C(Cl)C[N@H+](C)CCN(C)C(=O)CNS(=O)(=O)NC ZINC001438896967 1003733827 /nfs/dbraw/zinc/73/38/27/1003733827.db2.gz SYMLKLOGSPLPOD-UHFFFAOYSA-N 1 2 312.823 -0.817 20 30 DBEDLO C[C@H](C#N)C(=O)NC[C@@H](O)CN(C)C(=O)CCCn1cc[nH+]c1 ZINC001428215771 1003770986 /nfs/dbraw/zinc/77/09/86/1003770986.db2.gz BIVNMRPJESSADN-CHWSQXEVSA-N 1 2 321.381 -0.242 20 30 DBEDLO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)CNC(=O)CCc1c[nH+]cn1C ZINC001428248876 1003803787 /nfs/dbraw/zinc/80/37/87/1003803787.db2.gz IVRVOPLNCJHDSL-AAEUAGOBSA-N 1 2 321.381 -0.552 20 30 DBEDLO N#Cc1ccc(F)cc1C[NH2+]C[C@H](O)CNC(=O)c1ncn[nH]1 ZINC001439039101 1003847299 /nfs/dbraw/zinc/84/72/99/1003847299.db2.gz IUJSRPMTHAHLNS-LBPRGKRZSA-N 1 2 318.312 -0.304 20 30 DBEDLO N#Cc1ccc(F)cc1C[NH2+]C[C@H](O)CNC(=O)c1nc[nH]n1 ZINC001439039101 1003847304 /nfs/dbraw/zinc/84/73/04/1003847304.db2.gz IUJSRPMTHAHLNS-LBPRGKRZSA-N 1 2 318.312 -0.304 20 30 DBEDLO C[C@@H](C#N)C(=O)N1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001428616802 1003875660 /nfs/dbraw/zinc/87/56/60/1003875660.db2.gz UQJRMRISXWXFHH-STQMWFEESA-N 1 2 319.365 -0.224 20 30 DBEDLO CC(C)C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)c1[nH]ncc1F ZINC001496285316 1016884314 /nfs/dbraw/zinc/88/43/14/1016884314.db2.gz DWJPIMHPCDUMDE-JTQLQIEISA-N 1 2 324.360 -0.077 20 30 DBEDLO Cc1nnc(CN2CC[NH+](CCN(C)C(=O)[C@H](C)C#N)CC2)[nH]1 ZINC001418912780 1004710798 /nfs/dbraw/zinc/71/07/98/1004710798.db2.gz LAXSCTLRSHQEOJ-GFCCVEGCSA-N 1 2 319.413 -0.151 20 30 DBEDLO C[C@H](C#N)C(=O)NCC1C[NH+](CC(=O)NC2CCOCC2)C1 ZINC001419011033 1004761906 /nfs/dbraw/zinc/76/19/06/1004761906.db2.gz QRAOWFGNTQCUFN-LLVKDONJSA-N 1 2 308.382 -0.511 20 30 DBEDLO C[C@H](C#N)C(=O)NCC[NH+]1CCN(Cc2cn(C)nn2)CC1 ZINC001419127127 1004814129 /nfs/dbraw/zinc/81/41/29/1004814129.db2.gz IEZCZWJLAURBAS-GFCCVEGCSA-N 1 2 305.386 -0.791 20 30 DBEDLO CCCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)[C@@H](C)C#N)CC1 ZINC001419134424 1004816297 /nfs/dbraw/zinc/81/62/97/1004816297.db2.gz UAQCDAQUBSQFBW-KBPBESRZSA-N 1 2 323.441 -0.205 20 30 DBEDLO CNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C#N ZINC001419603860 1004915787 /nfs/dbraw/zinc/91/57/87/1004915787.db2.gz YESHILRDRPRDFM-MNOVXSKESA-N 1 2 309.370 -0.428 20 30 DBEDLO CNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C#N ZINC001419603860 1004915792 /nfs/dbraw/zinc/91/57/92/1004915792.db2.gz YESHILRDRPRDFM-MNOVXSKESA-N 1 2 309.370 -0.428 20 30 DBEDLO CNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001419603856 1004915969 /nfs/dbraw/zinc/91/59/69/1004915969.db2.gz YESHILRDRPRDFM-GHMZBOCLSA-N 1 2 309.370 -0.428 20 30 DBEDLO CNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C#N ZINC001419603856 1004915971 /nfs/dbraw/zinc/91/59/71/1004915971.db2.gz YESHILRDRPRDFM-GHMZBOCLSA-N 1 2 309.370 -0.428 20 30 DBEDLO C=C(Cl)C[N@@H+](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001420569453 1005306925 /nfs/dbraw/zinc/30/69/25/1005306925.db2.gz NBQRECLPZSINJY-SECBINFHSA-N 1 2 314.777 -0.434 20 30 DBEDLO C=C(Cl)C[N@H+](C)C[C@@H](C)NC(=O)Cn1cnc(C(N)=O)n1 ZINC001420569453 1005306929 /nfs/dbraw/zinc/30/69/29/1005306929.db2.gz NBQRECLPZSINJY-SECBINFHSA-N 1 2 314.777 -0.434 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)CCN(C)C(=O)c1cnn(CC)n1 ZINC001496699333 1017005679 /nfs/dbraw/zinc/00/56/79/1017005679.db2.gz IGTPHFMZAWNTNA-UHFFFAOYSA-N 1 2 306.370 -0.949 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)CCN(C)C(=O)c1cnn(CC)n1 ZINC001496699333 1017005695 /nfs/dbraw/zinc/00/56/95/1017005695.db2.gz IGTPHFMZAWNTNA-UHFFFAOYSA-N 1 2 306.370 -0.949 20 30 DBEDLO C[C@H](NC(=O)c1c[nH]c(C#N)c1)[C@H](C)[NH2+]Cc1nnn(C)n1 ZINC001440781788 1006303632 /nfs/dbraw/zinc/30/36/32/1006303632.db2.gz XSPLTPOJVRIKNL-IUCAKERBSA-N 1 2 302.342 -0.294 20 30 DBEDLO CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001441016846 1006420112 /nfs/dbraw/zinc/42/01/12/1006420112.db2.gz YBERSHFBEBSDBK-NWDGAFQWSA-N 1 2 323.397 -0.038 20 30 DBEDLO CCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC001441016846 1006420122 /nfs/dbraw/zinc/42/01/22/1006420122.db2.gz YBERSHFBEBSDBK-NWDGAFQWSA-N 1 2 323.397 -0.038 20 30 DBEDLO C[C@H](C#N)C(=O)NC1(CCO)C[NH+](Cc2ccn(C)c(=O)c2)C1 ZINC001441030151 1006432968 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C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](NC(=O)c3nnc[nH]3)C2)C1=O ZINC001008923950 812489232 /nfs/dbraw/zinc/48/92/32/812489232.db2.gz JQYVNFUTYNGKJH-VXGBXAGGSA-N 1 2 318.381 -0.214 20 30 DBEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N3CCC3)C2)c1 ZINC001010457795 812701776 /nfs/dbraw/zinc/70/17/76/812701776.db2.gz NVOOBZIRQQLEOE-GFCCVEGCSA-N 1 2 301.350 -0.077 20 30 DBEDLO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@H+](CC(=O)N3CCC3)C2)c1 ZINC001010457795 812701781 /nfs/dbraw/zinc/70/17/81/812701781.db2.gz NVOOBZIRQQLEOE-GFCCVEGCSA-N 1 2 301.350 -0.077 20 30 DBEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)[nH]1 ZINC001010647411 812732817 /nfs/dbraw/zinc/73/28/17/812732817.db2.gz YVBBONTUQPISIH-GFCCVEGCSA-N 1 2 301.350 -0.031 20 30 DBEDLO N#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)[nH]1 ZINC001010647411 812732821 /nfs/dbraw/zinc/73/28/21/812732821.db2.gz YVBBONTUQPISIH-GFCCVEGCSA-N 1 2 301.350 -0.031 20 30 DBEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC3CC3)C2)c[nH]1 ZINC001010688601 812742153 /nfs/dbraw/zinc/74/21/53/812742153.db2.gz JFAVOKLAOOSLTR-GFCCVEGCSA-N 1 2 301.350 -0.031 20 30 DBEDLO N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NC3CC3)C2)c[nH]1 ZINC001010688601 812742161 /nfs/dbraw/zinc/74/21/61/812742161.db2.gz JFAVOKLAOOSLTR-GFCCVEGCSA-N 1 2 301.350 -0.031 20 30 DBEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)c3ncn(C)n3)C2)C1=O ZINC001010880610 812797659 /nfs/dbraw/zinc/79/76/59/812797659.db2.gz NRJVJFOFDBYBPM-NEPJUHHUSA-N 1 2 318.381 -0.594 20 30 DBEDLO C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)c3ncn(C)n3)C2)C1=O ZINC001010880610 812797663 /nfs/dbraw/zinc/79/76/63/812797663.db2.gz NRJVJFOFDBYBPM-NEPJUHHUSA-N 1 2 318.381 -0.594 20 30 DBEDLO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015637314 813484080 /nfs/dbraw/zinc/48/40/80/813484080.db2.gz LRVJBIIYBPERAN-LBPRGKRZSA-N 1 2 302.334 -0.257 20 30 DBEDLO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)C(N)=O)C1 ZINC001015637314 813484085 /nfs/dbraw/zinc/48/40/85/813484085.db2.gz LRVJBIIYBPERAN-LBPRGKRZSA-N 1 2 302.334 -0.257 20 30 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/nfs/dbraw/zinc/53/18/49/813531849.db2.gz YCLKHFBLDYLPPW-VXGBXAGGSA-N 1 2 320.397 -0.207 20 30 DBEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)nn1 ZINC001015811648 813532246 /nfs/dbraw/zinc/53/22/46/813532246.db2.gz KKWAEOZWAVCSEJ-LBPRGKRZSA-N 1 2 318.381 -0.453 20 30 DBEDLO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)nn1 ZINC001015811648 813532249 /nfs/dbraw/zinc/53/22/49/813532249.db2.gz KKWAEOZWAVCSEJ-LBPRGKRZSA-N 1 2 318.381 -0.453 20 30 DBEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001015866879 813545778 /nfs/dbraw/zinc/54/57/78/813545778.db2.gz BASAKWLKEPAMRU-SNVBAGLBSA-N 1 2 302.338 -0.552 20 30 DBEDLO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001015866879 813545787 /nfs/dbraw/zinc/54/57/87/813545787.db2.gz BASAKWLKEPAMRU-SNVBAGLBSA-N 1 2 302.338 -0.552 20 30 DBEDLO C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cc3nnc[nH]3)C2)C1=O ZINC001015967626 813575764 /nfs/dbraw/zinc/57/57/64/813575764.db2.gz KPVOOBZDMMGEHW-RYUDHWBXSA-N 1 2 318.381 -0.675 20 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/nfs/dbraw/zinc/61/70/51/814617051.db2.gz XXKFJPVRHCFUSX-GFCCVEGCSA-N 1 2 320.397 -0.254 20 30 DBEDLO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001034019687 814623841 /nfs/dbraw/zinc/62/38/41/814623841.db2.gz XKBTTWPUSDJQGP-LLVKDONJSA-N 1 2 314.349 -0.413 20 30 DBEDLO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(=O)n3[nH]cnc3n2)C1 ZINC001034019687 814623848 /nfs/dbraw/zinc/62/38/48/814623848.db2.gz XKBTTWPUSDJQGP-LLVKDONJSA-N 1 2 314.349 -0.413 20 30 DBEDLO Cn1nnc(C[NH2+]C[C@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)n1 ZINC001034911397 814742178 /nfs/dbraw/zinc/74/21/78/814742178.db2.gz ATINMNAHMYELAG-GFCCVEGCSA-N 1 2 314.353 -0.196 20 30 DBEDLO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nnn(C)n1 ZINC001035055725 814852793 /nfs/dbraw/zinc/85/27/93/814852793.db2.gz AUXXFBNBPHQBQY-UPJWGTAASA-N 1 2 320.397 -0.118 20 30 DBEDLO C=C(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cn(CCOC)nn2)C1 ZINC001035362927 814907202 /nfs/dbraw/zinc/90/72/02/814907202.db2.gz YGJNZMPTBDQTBL-CYBMUJFWSA-N 1 2 323.397 -0.069 20 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ZINC001069910860 820342081 /nfs/dbraw/zinc/34/20/81/820342081.db2.gz LWFKCJCXRAYLIR-HZSPNIEDSA-N 1 2 303.366 -0.178 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCCO2)[C@@H](n2ccnn2)C1 ZINC001069910860 820342095 /nfs/dbraw/zinc/34/20/95/820342095.db2.gz LWFKCJCXRAYLIR-HZSPNIEDSA-N 1 2 303.366 -0.178 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](n2ccnn2)C1 ZINC001069921330 820350487 /nfs/dbraw/zinc/35/04/87/820350487.db2.gz ATFGHDMWOFIKGK-NEPJUHHUSA-N 1 2 314.353 -0.915 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2ncn(C)n2)[C@@H](n2ccnn2)C1 ZINC001069921330 820350496 /nfs/dbraw/zinc/35/04/96/820350496.db2.gz ATFGHDMWOFIKGK-NEPJUHHUSA-N 1 2 314.353 -0.915 20 30 DBEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069965741 820364688 /nfs/dbraw/zinc/36/46/88/820364688.db2.gz CUKULDALLXFHQJ-NEPJUHHUSA-N 1 2 302.342 -0.372 20 30 DBEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cn[nH]n2)[C@@H](n2ccnn2)C1 ZINC001069965741 820364694 /nfs/dbraw/zinc/36/46/94/820364694.db2.gz CUKULDALLXFHQJ-NEPJUHHUSA-N 1 2 302.342 -0.372 20 30 DBEDLO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](n2ccnn2)C1 ZINC001069965741 820364698 /nfs/dbraw/zinc/36/46/98/820364698.db2.gz CUKULDALLXFHQJ-NEPJUHHUSA-N 1 2 302.342 -0.372 20 30 DBEDLO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn[nH]2)[C@@H](n2ccnn2)C1 ZINC001069965741 820364707 /nfs/dbraw/zinc/36/47/07/820364707.db2.gz CUKULDALLXFHQJ-NEPJUHHUSA-N 1 2 302.342 -0.372 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](n2ccnn2)C1 ZINC001070000695 820372067 /nfs/dbraw/zinc/37/20/67/820372067.db2.gz IMEVJAYLHICDDK-OLZOCXBDSA-N 1 2 313.365 -0.391 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cnn2C)[C@@H](n2ccnn2)C1 ZINC001070000695 820372075 /nfs/dbraw/zinc/37/20/75/820372075.db2.gz IMEVJAYLHICDDK-OLZOCXBDSA-N 1 2 313.365 -0.391 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001070003117 820373641 /nfs/dbraw/zinc/37/36/41/820373641.db2.gz LUKYXOMZBOHOTB-BJJPWKGXSA-N 1 2 301.350 -0.855 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H](n2ccnn2)C1 ZINC001070003117 820373652 /nfs/dbraw/zinc/37/36/52/820373652.db2.gz LUKYXOMZBOHOTB-BJJPWKGXSA-N 1 2 301.350 -0.855 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001070049574 820383416 /nfs/dbraw/zinc/38/34/16/820383416.db2.gz SRRDSORQMQQHQU-OLZOCXBDSA-N 1 2 313.365 -0.012 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2nc(C)c[nH]2)[C@@H](n2ccnn2)C1 ZINC001070049574 820383423 /nfs/dbraw/zinc/38/34/23/820383423.db2.gz SRRDSORQMQQHQU-OLZOCXBDSA-N 1 2 313.365 -0.012 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)Cc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001070076160 820391417 /nfs/dbraw/zinc/39/14/17/820391417.db2.gz JOKBCBPKEMGANE-KGLIPLIRSA-N 1 2 313.365 -0.771 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)Cc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001070076160 820391421 /nfs/dbraw/zinc/39/14/21/820391421.db2.gz JOKBCBPKEMGANE-KGLIPLIRSA-N 1 2 313.365 -0.771 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](n2ccnn2)C1 ZINC001070111619 820398889 /nfs/dbraw/zinc/39/88/89/820398889.db2.gz RPRZVUIRGQXRCP-OLZOCXBDSA-N 1 2 313.365 -0.012 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)c2[nH]cnc2C)[C@@H](n2ccnn2)C1 ZINC001070111619 820398897 /nfs/dbraw/zinc/39/88/97/820398897.db2.gz RPRZVUIRGQXRCP-OLZOCXBDSA-N 1 2 313.365 -0.012 20 30 DBEDLO C#CC[NH2+][C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@@H]1n1ccnn1 ZINC001070267649 820438770 /nfs/dbraw/zinc/43/87/70/820438770.db2.gz JZNSNRREDGQDRV-PWSUYJOCSA-N 1 2 315.337 -0.994 20 30 DBEDLO C#CC[NH+]1CC2(C1)CN(C(=O)COC)C[C@H]2c1nnc(C)[nH]1 ZINC001070435588 820471923 /nfs/dbraw/zinc/47/19/23/820471923.db2.gz LFPDYLROWWPPSV-LBPRGKRZSA-N 1 2 303.366 -0.379 20 30 DBEDLO Cn1cc(C(=O)N2C[C@@H](c3c[nH+]cn3C)[C@H](NCC#N)C2)nn1 ZINC001070645036 820518763 /nfs/dbraw/zinc/51/87/63/820518763.db2.gz KTZBFESOQNAQOW-GHMZBOCLSA-N 1 2 314.353 -0.730 20 30 DBEDLO C=CC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001070907059 820561558 /nfs/dbraw/zinc/56/15/58/820561558.db2.gz LNUPNBSYJSYPPC-UTUOFQBUSA-N 1 2 322.365 -0.846 20 30 DBEDLO C=CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC(N)=O)C1 ZINC001070907059 820561561 /nfs/dbraw/zinc/56/15/61/820561561.db2.gz LNUPNBSYJSYPPC-UTUOFQBUSA-N 1 2 322.365 -0.846 20 30 DBEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC001070951764 820579519 /nfs/dbraw/zinc/57/95/19/820579519.db2.gz XWNSJWHXNFDVFJ-UHFFFAOYSA-N 1 2 320.397 -0.426 20 30 DBEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)CCc2nnc[nH]2)CC1 ZINC001070951764 820579524 /nfs/dbraw/zinc/57/95/24/820579524.db2.gz XWNSJWHXNFDVFJ-UHFFFAOYSA-N 1 2 320.397 -0.426 20 30 DBEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2cncnc2)CC1 ZINC001070958886 820583640 /nfs/dbraw/zinc/58/36/40/820583640.db2.gz YGSSEEADEUZRRU-UHFFFAOYSA-N 1 2 317.393 -0.144 20 30 DBEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2cncnc2)CC1 ZINC001070958886 820583643 /nfs/dbraw/zinc/58/36/43/820583643.db2.gz YGSSEEADEUZRRU-UHFFFAOYSA-N 1 2 317.393 -0.144 20 30 DBEDLO C=C(C)C[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001070958922 820583662 /nfs/dbraw/zinc/58/36/62/820583662.db2.gz ZWQSOKPBSLSMLA-LBPRGKRZSA-N 1 2 324.381 -0.679 20 30 DBEDLO C=C(C)C[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2COC(=O)N2)CC1 ZINC001070958922 820583665 /nfs/dbraw/zinc/58/36/65/820583665.db2.gz ZWQSOKPBSLSMLA-LBPRGKRZSA-N 1 2 324.381 -0.679 20 30 DBEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncc[nH]2)CC1 ZINC001070960946 820585223 /nfs/dbraw/zinc/58/52/23/820585223.db2.gz DEDGEOJZDVIYIF-UHFFFAOYSA-N 1 2 303.366 -0.303 20 30 DBEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ncc[nH]2)CC1 ZINC001070960946 820585228 /nfs/dbraw/zinc/58/52/28/820585228.db2.gz DEDGEOJZDVIYIF-UHFFFAOYSA-N 1 2 303.366 -0.303 20 30 DBEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncn(C)n2)CC1 ZINC001070961621 820585872 /nfs/dbraw/zinc/58/58/72/820585872.db2.gz WUEFUHGYUVZBLR-UHFFFAOYSA-N 1 2 318.381 -0.898 20 30 DBEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ncn(C)n2)CC1 ZINC001070961621 820585875 /nfs/dbraw/zinc/58/58/75/820585875.db2.gz WUEFUHGYUVZBLR-UHFFFAOYSA-N 1 2 318.381 -0.898 20 30 DBEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001070971792 820589762 /nfs/dbraw/zinc/58/97/62/820589762.db2.gz RPYMTCVZQPWMGX-UHFFFAOYSA-N 1 2 319.365 -0.368 20 30 DBEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)c2cn[nH]c(=O)c2)CC1 ZINC001070971792 820589769 /nfs/dbraw/zinc/58/97/69/820589769.db2.gz RPYMTCVZQPWMGX-UHFFFAOYSA-N 1 2 319.365 -0.368 20 30 DBEDLO N#CCN1CCNC(=O)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001070983784 820594519 /nfs/dbraw/zinc/59/45/19/820594519.db2.gz FTPWWLGHWGFPMF-UHFFFAOYSA-N 1 2 318.381 -0.553 20 30 DBEDLO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)c2ncccn2)CC1 ZINC001071010495 820605115 /nfs/dbraw/zinc/60/51/15/820605115.db2.gz NUCCKNXAPKTJBM-UHFFFAOYSA-N 1 2 315.377 -0.236 20 30 DBEDLO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)c2ncccn2)CC1 ZINC001071010495 820605118 /nfs/dbraw/zinc/60/51/18/820605118.db2.gz NUCCKNXAPKTJBM-UHFFFAOYSA-N 1 2 315.377 -0.236 20 30 DBEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001071010476 820605630 /nfs/dbraw/zinc/60/56/30/820605630.db2.gz MTQWTSMCBKTUBC-UHFFFAOYSA-N 1 2 305.382 -0.211 20 30 DBEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001071010476 820605633 /nfs/dbraw/zinc/60/56/33/820605633.db2.gz MTQWTSMCBKTUBC-UHFFFAOYSA-N 1 2 305.382 -0.211 20 30 DBEDLO C=CC[N@H+]1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@@H](C)O2 ZINC001071144667 820630360 /nfs/dbraw/zinc/63/03/60/820630360.db2.gz SCSGJIDHCIIUGA-OCCSQVGLSA-N 1 2 316.423 -0.091 20 30 DBEDLO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CS(C)(=O)=O)C[C@@H](C)O2 ZINC001071144667 820630366 /nfs/dbraw/zinc/63/03/66/820630366.db2.gz SCSGJIDHCIIUGA-OCCSQVGLSA-N 1 2 316.423 -0.091 20 30 DBEDLO C#CCC[N@H+]1CCN([C@@H]2CCCN(C(=O)CC(N)=O)C2)C(=O)C1 ZINC001071260531 820665082 /nfs/dbraw/zinc/66/50/82/820665082.db2.gz TVPCPCIVTDAGOG-CYBMUJFWSA-N 1 2 320.393 -0.980 20 30 DBEDLO C#CCC[N@@H+]1CCN([C@@H]2CCCN(C(=O)CC(N)=O)C2)C(=O)C1 ZINC001071260531 820665086 /nfs/dbraw/zinc/66/50/86/820665086.db2.gz TVPCPCIVTDAGOG-CYBMUJFWSA-N 1 2 320.393 -0.980 20 30 DBEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=O)NC)C2)nn1 ZINC001071880902 820798959 /nfs/dbraw/zinc/79/89/59/820798959.db2.gz UMGLJQPVJRPGRL-VXGBXAGGSA-N 1 2 320.397 -0.207 20 30 DBEDLO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(=O)NC)C2)nn1 ZINC001071880902 820798965 /nfs/dbraw/zinc/79/89/65/820798965.db2.gz UMGLJQPVJRPGRL-VXGBXAGGSA-N 1 2 320.397 -0.207 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1C ZINC001071992353 820837675 /nfs/dbraw/zinc/83/76/75/820837675.db2.gz KOJBMYACHZCFTB-QWRGUYRKSA-N 1 2 314.349 -0.367 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc(=O)n3[nH]cnc3n2)CC[C@@H]1C ZINC001071992353 820837685 /nfs/dbraw/zinc/83/76/85/820837685.db2.gz KOJBMYACHZCFTB-QWRGUYRKSA-N 1 2 314.349 -0.367 20 30 DBEDLO C#CCOCCC(=O)N1C[C@@H](C)[C@@H](NC(=O)Cn2cc[nH+]c2)C1 ZINC001072094605 820864657 /nfs/dbraw/zinc/86/46/57/820864657.db2.gz UXWVCGYBIBGRAP-KGLIPLIRSA-N 1 2 318.377 -0.114 20 30 DBEDLO CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)C1 ZINC001072903222 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YMUJBPCEZDOYPE-OCCSQVGLSA-N 1 2 319.365 -0.962 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2CC)[C@@H](O)C1 ZINC001083929857 824832513 /nfs/dbraw/zinc/83/25/13/824832513.db2.gz OGRHVQAXYYHVLE-MCIONIFRSA-N 1 2 307.394 -0.428 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)C(=O)N2CCC[C@H]2CC)[C@@H](O)C1 ZINC001083929857 824832523 /nfs/dbraw/zinc/83/25/23/824832523.db2.gz OGRHVQAXYYHVLE-MCIONIFRSA-N 1 2 307.394 -0.428 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@@H](O)C1 ZINC001083946693 824839171 /nfs/dbraw/zinc/83/91/71/824839171.db2.gz XOYLQUVOHOGCMS-CABCVRRESA-N 1 2 311.345 -0.325 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)cn2)[C@@H](O)C1 ZINC001083946693 824839177 /nfs/dbraw/zinc/83/91/77/824839177.db2.gz XOYLQUVOHOGCMS-CABCVRRESA-N 1 2 311.345 -0.325 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C(=O)N(C)C)[C@@H](O)C1 ZINC001083964010 824844455 /nfs/dbraw/zinc/84/44/55/824844455.db2.gz SIUTTYKLGVZXOV-CABCVRRESA-N 1 2 315.373 -0.204 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C(=O)N(C)C)[C@@H](O)C1 ZINC001083964010 824844457 /nfs/dbraw/zinc/84/44/57/824844457.db2.gz SIUTTYKLGVZXOV-CABCVRRESA-N 1 2 315.373 -0.204 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cc3c(cn2)OCCC3)[C@@H](O)C1 ZINC001084003758 824854086 /nfs/dbraw/zinc/85/40/86/824854086.db2.gz LPJNXWBLDWFHQC-KGLIPLIRSA-N 1 2 301.346 -0.185 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cc3c(cn2)OCCC3)[C@@H](O)C1 ZINC001084003758 824854089 /nfs/dbraw/zinc/85/40/89/824854089.db2.gz LPJNXWBLDWFHQC-KGLIPLIRSA-N 1 2 301.346 -0.185 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2)[C@@H](O)C1 ZINC001084032244 824861640 /nfs/dbraw/zinc/86/16/40/824861640.db2.gz CBDWVOCUMAHBGC-KGLIPLIRSA-N 1 2 312.333 -0.930 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2)[C@@H](O)C1 ZINC001084032244 824861646 /nfs/dbraw/zinc/86/16/46/824861646.db2.gz CBDWVOCUMAHBGC-KGLIPLIRSA-N 1 2 312.333 -0.930 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2cccc(-n3cnnn3)c2)[C@@H](O)C1 ZINC001084046217 824866647 /nfs/dbraw/zinc/86/66/47/824866647.db2.gz XMENNSTWGOOANR-KGLIPLIRSA-N 1 2 312.333 -0.930 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(-n3cnnn3)c2)[C@@H](O)C1 ZINC001084046217 824866654 /nfs/dbraw/zinc/86/66/54/824866654.db2.gz XMENNSTWGOOANR-KGLIPLIRSA-N 1 2 312.333 -0.930 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c(c2)OCCO3)[C@@H](O)C1 ZINC001084051004 824869197 /nfs/dbraw/zinc/86/91/97/824869197.db2.gz YEVZHNZZBWFVRR-OLZOCXBDSA-N 1 2 302.330 -0.134 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c(c2)OCCO3)[C@@H](O)C1 ZINC001084051004 824869200 /nfs/dbraw/zinc/86/92/00/824869200.db2.gz YEVZHNZZBWFVRR-OLZOCXBDSA-N 1 2 302.330 -0.134 20 30 DBEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001084236925 824912690 /nfs/dbraw/zinc/91/26/90/824912690.db2.gz VJVGXAFTULGEBL-MGPQQGTHSA-N 1 2 320.393 -0.462 20 30 DBEDLO C[C@H](C#N)C(=O)N1C[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001084236925 824912694 /nfs/dbraw/zinc/91/26/94/824912694.db2.gz VJVGXAFTULGEBL-MGPQQGTHSA-N 1 2 320.393 -0.462 20 30 DBEDLO C[C@@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001084283620 824918937 /nfs/dbraw/zinc/91/89/37/824918937.db2.gz HVSAGEMUPVNHLR-OPQQBVKSSA-N 1 2 301.350 -0.094 20 30 DBEDLO C[C@@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC001084283620 824918940 /nfs/dbraw/zinc/91/89/40/824918940.db2.gz HVSAGEMUPVNHLR-OPQQBVKSSA-N 1 2 301.350 -0.094 20 30 DBEDLO C[C@H](C(N)=O)[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001084293428 824918997 /nfs/dbraw/zinc/91/89/97/824918997.db2.gz HAXCIYPTGCLBEC-GIPNMCIBSA-N 1 2 301.350 -0.094 20 30 DBEDLO C[C@H](C(N)=O)[N@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC001084293428 824919002 /nfs/dbraw/zinc/91/90/02/824919002.db2.gz HAXCIYPTGCLBEC-GIPNMCIBSA-N 1 2 301.350 -0.094 20 30 DBEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NC)C[C@H]32)cn1 ZINC001084784022 824976318 /nfs/dbraw/zinc/97/63/18/824976318.db2.gz WDMWLHDYSVAIIG-UKRRQHHQSA-N 1 2 312.373 -0.045 20 30 DBEDLO C#Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NC)C[C@H]32)cn1 ZINC001084784022 824976327 /nfs/dbraw/zinc/97/63/27/824976327.db2.gz WDMWLHDYSVAIIG-UKRRQHHQSA-N 1 2 312.373 -0.045 20 30 DBEDLO Cc1coc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)c1 ZINC001114711088 828731075 /nfs/dbraw/zinc/73/10/75/828731075.db2.gz OYNGYHQNGIIYIN-YABSGUDNSA-N 1 2 302.334 -0.112 20 30 DBEDLO Cc1coc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)c1 ZINC001114711088 828731079 /nfs/dbraw/zinc/73/10/79/828731079.db2.gz OYNGYHQNGIIYIN-YABSGUDNSA-N 1 2 302.334 -0.112 20 30 DBEDLO C=CCn1cc(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@H](C)C(=O)NC)nn1 ZINC001085861252 825124512 /nfs/dbraw/zinc/12/45/12/825124512.db2.gz UJVOUQZPZZIDEE-NEPJUHHUSA-N 1 2 320.397 -0.255 20 30 DBEDLO C=CCn1cc(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@H](C)C(=O)NC)nn1 ZINC001085861252 825124516 /nfs/dbraw/zinc/12/45/16/825124516.db2.gz UJVOUQZPZZIDEE-NEPJUHHUSA-N 1 2 320.397 -0.255 20 30 DBEDLO C=CCN1CC[C@@H]([N@H+]2CC[C@H]2CN(C)C(=O)c2nc[nH]n2)C1=O ZINC001085881469 825128994 /nfs/dbraw/zinc/12/89/94/825128994.db2.gz GHKOMNKMUAMBHX-NWDGAFQWSA-N 1 2 318.381 -0.262 20 30 DBEDLO C=CCN1CC[C@@H]([N@@H+]2CC[C@H]2CN(C)C(=O)c2nc[nH]n2)C1=O ZINC001085881469 825129001 /nfs/dbraw/zinc/12/90/01/825129001.db2.gz GHKOMNKMUAMBHX-NWDGAFQWSA-N 1 2 318.381 -0.262 20 30 DBEDLO Cn1nnc(C[NH2+][C@H]2C[C@@H](CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001086064617 825168754 /nfs/dbraw/zinc/16/87/54/825168754.db2.gz XPIUAJXQAJEZRI-JGZJWPJOSA-N 1 2 314.353 -0.292 20 30 DBEDLO COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NC(=O)N(C)C1 ZINC001114772876 828741231 /nfs/dbraw/zinc/74/12/31/828741231.db2.gz VALOAKVMXJRQOE-PJXYFTJBSA-N 1 2 304.350 -0.565 20 30 DBEDLO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=NC(=O)N(C)C1 ZINC001114772876 828741232 /nfs/dbraw/zinc/74/12/32/828741232.db2.gz VALOAKVMXJRQOE-PJXYFTJBSA-N 1 2 304.350 -0.565 20 30 DBEDLO Cn1cc([C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2NCC#N)cn1 ZINC001086999785 825313505 /nfs/dbraw/zinc/31/35/05/825313505.db2.gz VTCROUJPTPOVFO-UONOGXRCSA-N 1 2 313.365 -0.207 20 30 DBEDLO C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088206288 825408317 /nfs/dbraw/zinc/40/83/17/825408317.db2.gz KQEDGZDSQUDVNA-HZSPNIEDSA-N 1 2 310.419 -0.023 20 30 DBEDLO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCS3(=O)=O)C[C@@H]2C1 ZINC001088206288 825408319 /nfs/dbraw/zinc/40/83/19/825408319.db2.gz KQEDGZDSQUDVNA-HZSPNIEDSA-N 1 2 310.419 -0.023 20 30 DBEDLO Cc1cnoc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115064000 828782303 /nfs/dbraw/zinc/78/23/03/828782303.db2.gz ZXCOYQDUPGSWGS-IAZYJMLFSA-N 1 2 303.322 -0.717 20 30 DBEDLO Cc1cnoc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115064000 828782307 /nfs/dbraw/zinc/78/23/07/828782307.db2.gz ZXCOYQDUPGSWGS-IAZYJMLFSA-N 1 2 303.322 -0.717 20 30 DBEDLO COc1cc[nH+]cc1CC(=O)N[C@@H]1CCN(CC#N)C[C@H]1O ZINC001090357052 825648312 /nfs/dbraw/zinc/64/83/12/825648312.db2.gz AYPFFDMMMGFXSQ-CHWSQXEVSA-N 1 2 304.350 -0.292 20 30 DBEDLO CC#CC[N@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](O)C1 ZINC001090433135 825694871 /nfs/dbraw/zinc/69/48/71/825694871.db2.gz PBFRCSPJHZZLDX-BXUZGUMPSA-N 1 2 319.361 -0.428 20 30 DBEDLO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc(=O)c(OC)c[nH]2)[C@H](O)C1 ZINC001090433135 825694873 /nfs/dbraw/zinc/69/48/73/825694873.db2.gz PBFRCSPJHZZLDX-BXUZGUMPSA-N 1 2 319.361 -0.428 20 30 DBEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@@H+](CCF)C[C@H]2O)nn1 ZINC001090637892 825772606 /nfs/dbraw/zinc/77/26/06/825772606.db2.gz MKOWKYYXWWBZRH-DGCLKSJQSA-N 1 2 311.361 -0.011 20 30 DBEDLO C=CCCn1cc(C(=O)N[C@@H]2CC[N@H+](CCF)C[C@H]2O)nn1 ZINC001090637892 825772612 /nfs/dbraw/zinc/77/26/12/825772612.db2.gz MKOWKYYXWWBZRH-DGCLKSJQSA-N 1 2 311.361 -0.011 20 30 DBEDLO C#CCN1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001090732305 825817956 /nfs/dbraw/zinc/81/79/56/825817956.db2.gz BJFKUSSHQKIOKK-HIFRSBDPSA-N 1 2 302.378 -0.054 20 30 DBEDLO Cn1nnc(C[NH2+]C2CC(CNC(=O)c3c[nH]c(C#N)c3)C2)n1 ZINC001090991310 825895636 /nfs/dbraw/zinc/89/56/36/825895636.db2.gz XPIUAJXQAJEZRI-UHFFFAOYSA-N 1 2 314.353 -0.292 20 30 DBEDLO C[C@H](C#N)C(=O)N[C@@H]1CN(c2[nH+]cnc3c2cnn3C)C[C@@H]1O ZINC001091079855 825909943 /nfs/dbraw/zinc/90/99/43/825909943.db2.gz YIAGEIIAVKNXBO-IEBDPFPHSA-N 1 2 315.337 -0.811 20 30 DBEDLO N#CCN1CC2(C1)C[C@H](NC(=O)Cc1[nH]cc[nH+]1)c1nccn12 ZINC001092404148 826034212 /nfs/dbraw/zinc/03/42/12/826034212.db2.gz NYEBKNVSJLESCK-NSHDSACASA-N 1 2 311.349 -0.056 20 30 DBEDLO C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)c1nnc[nH]1)c1nccn12 ZINC001092404419 826034298 /nfs/dbraw/zinc/03/42/98/826034298.db2.gz VNUIATQCANRNTI-LLVKDONJSA-N 1 2 311.349 -0.090 20 30 DBEDLO CCNC(=O)CN1CC2(C[NH+](CCCCC#N)C2)OCC1=O ZINC001274043660 833009028 /nfs/dbraw/zinc/00/90/28/833009028.db2.gz RSFBCYAMXRXRQG-UHFFFAOYSA-N 1 2 308.382 -0.270 20 30 DBEDLO C#CCO[C@@H](C)C(=O)NCCNc1nc(N(C)C)nc(C)[nH+]1 ZINC001093878233 826176748 /nfs/dbraw/zinc/17/67/48/826176748.db2.gz IRGPFFIPIRXDGQ-JTQLQIEISA-N 1 2 306.370 -0.188 20 30 DBEDLO N#Cc1nccc(NCCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)n1 ZINC001093957794 826182022 /nfs/dbraw/zinc/18/20/22/826182022.db2.gz LEGZJEAUQPQRFF-LLVKDONJSA-N 1 2 311.349 -0.243 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3COCCO3)nn2)C1 ZINC001094276887 826215804 /nfs/dbraw/zinc/21/58/04/826215804.db2.gz VVTNVIOJBJKWOZ-AWEZNQCLSA-N 1 2 319.365 -0.810 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3ccnn3C)nn2)C1 ZINC001094278239 826217102 /nfs/dbraw/zinc/21/71/02/826217102.db2.gz DDUICAVEDLMNOM-UHFFFAOYSA-N 1 2 313.365 -0.178 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3COC(=O)N3)nn2)C1 ZINC001094287219 826220812 /nfs/dbraw/zinc/22/08/12/826220812.db2.gz FWIHJGCVHCUMRO-GFCCVEGCSA-N 1 2 320.353 -0.565 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3COC(=O)N3)nn2)C1 ZINC001094287893 826220867 /nfs/dbraw/zinc/22/08/67/826220867.db2.gz UVWZNGKRZURMMN-LLVKDONJSA-N 1 2 306.326 -0.955 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3COC(=O)N3)nn2)C1 ZINC001094287220 826221119 /nfs/dbraw/zinc/22/11/19/826221119.db2.gz FWIHJGCVHCUMRO-LBPRGKRZSA-N 1 2 320.353 -0.565 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCC(=O)NC3)nn2)C1 ZINC001094300351 826224866 /nfs/dbraw/zinc/22/48/66/826224866.db2.gz LEFPHOKFOHQMRM-LLVKDONJSA-N 1 2 318.381 -0.537 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)c3[nH]nnc3C)nn2)C1 ZINC001094309626 826226808 /nfs/dbraw/zinc/22/68/08/826226808.db2.gz IDBIOQDZIGXKNS-UHFFFAOYSA-N 1 2 302.342 -0.323 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CCNC3=O)nn2)C1 ZINC001094309627 826226851 /nfs/dbraw/zinc/22/68/51/826226851.db2.gz IESKVAKQNNRDTN-GFCCVEGCSA-N 1 2 304.354 -0.927 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@H]3CCNC3=O)nn2)C1 ZINC001094309961 826227694 /nfs/dbraw/zinc/22/76/94/826227694.db2.gz YYXDOXXTONHVRN-ZDUSSCGKSA-N 1 2 318.381 -0.537 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@H]3[C@@H]4COC[C@@H]43)nn2)C1 ZINC001094311390 826228636 /nfs/dbraw/zinc/22/86/36/826228636.db2.gz WSRCMOSWUFEWEU-FICVDOATSA-N 1 2 315.377 -0.333 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)Cc3ccon3)CC2=O)C1 ZINC001094714452 826267545 /nfs/dbraw/zinc/26/75/45/826267545.db2.gz WPRHUBTUMPNOLX-GFCCVEGCSA-N 1 2 304.350 -0.196 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 ZINC001094716879 826268544 /nfs/dbraw/zinc/26/85/44/826268544.db2.gz DGURZFWKFULZSX-LBPRGKRZSA-N 1 2 303.366 -0.461 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3nnn(C)c3C)CC2=O)C1 ZINC001094717402 826268765 /nfs/dbraw/zinc/26/87/65/826268765.db2.gz JRWMHFQQMHCDPO-LLVKDONJSA-N 1 2 318.381 -0.676 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)c3ncn(C)n3)CC2=O)C1 ZINC001094735977 826276092 /nfs/dbraw/zinc/27/60/92/826276092.db2.gz YQMPCVUSSAEEPO-NSHDSACASA-N 1 2 318.381 -0.594 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3nn(C)cc3C)CC2=O)C1 ZINC001094737553 826277229 /nfs/dbraw/zinc/27/72/29/826277229.db2.gz WLYPQLZEYUYSSL-LBPRGKRZSA-N 1 2 317.393 -0.071 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)Cn3nccn3)CC2=O)C1 ZINC001094742055 826277393 /nfs/dbraw/zinc/27/73/93/826277393.db2.gz MZSZKTSNLXWYQH-LBPRGKRZSA-N 1 2 318.381 -0.745 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3[nH]c(=O)[nH]c3C)CC2=O)C1 ZINC001094747433 826278890 /nfs/dbraw/zinc/27/88/90/826278890.db2.gz RZRQEDZSMRHLMJ-SNVBAGLBSA-N 1 2 319.365 -0.375 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CCCNC3=O)CC2=O)C1 ZINC001094747408 826279010 /nfs/dbraw/zinc/27/90/10/826279010.db2.gz ROHXBWNBQXVTSA-AAEUAGOBSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)[C@]3(C)CCC(=O)N3)CC2=O)C1 ZINC001094777433 826284299 /nfs/dbraw/zinc/28/42/99/826284299.db2.gz UODUPCXWLQFFQF-BZNIZROVSA-N 1 2 320.393 -0.758 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3n[nH]cc3F)CC2=O)C1 ZINC001094784197 826286138 /nfs/dbraw/zinc/28/61/38/826286138.db2.gz CXWFAUOUNLCQAO-SECBINFHSA-N 1 2 307.329 -0.250 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@@]3(C)CCNC3=O)CC2=O)C1 ZINC001094783641 826286314 /nfs/dbraw/zinc/28/63/14/826286314.db2.gz UFNGVIOFQDNTFN-ZBEGNZNMSA-N 1 2 320.393 -0.900 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3ccnnc3)CC2=O)C1 ZINC001094790686 826288371 /nfs/dbraw/zinc/28/83/71/826288371.db2.gz OQVLILWUHBBKLJ-GFCCVEGCSA-N 1 2 301.350 -0.323 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)Cc3nonc3C)CC2=O)C1 ZINC001094803184 826290839 /nfs/dbraw/zinc/29/08/39/826290839.db2.gz ITKJXUNXYJQPOP-LLVKDONJSA-N 1 2 319.365 -0.492 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)c3ncccn3)CC2=O)C1 ZINC001094803900 826291373 /nfs/dbraw/zinc/29/13/73/826291373.db2.gz QNNFSDLFHFIZFA-LLVKDONJSA-N 1 2 301.350 -0.323 20 30 DBEDLO CC#CCN1CC(N2C[C@@H](NC(=O)Cn3cc[nH+]c3)CC2=O)C1 ZINC001094823511 826295211 /nfs/dbraw/zinc/29/52/11/826295211.db2.gz WNYMJSGLRDWQJY-ZDUSSCGKSA-N 1 2 315.377 -0.692 20 30 DBEDLO C#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(S(N)(=O)=O)c1)C2 ZINC001095639542 826335636 /nfs/dbraw/zinc/33/56/36/826335636.db2.gz IWLXWSIQFZULHB-WOPDTQHZSA-N 1 2 323.374 -0.105 20 30 DBEDLO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(S(N)(=O)=O)c1)C2 ZINC001095639542 826335638 /nfs/dbraw/zinc/33/56/38/826335638.db2.gz IWLXWSIQFZULHB-WOPDTQHZSA-N 1 2 323.374 -0.105 20 30 DBEDLO N#Cc1nccc(N2CC[NH+](CCNC(=O)C3CC3)CC2)n1 ZINC001096260624 826366407 /nfs/dbraw/zinc/36/64/07/826366407.db2.gz ILKBWZJBOUZELP-UHFFFAOYSA-N 1 2 300.366 -0.004 20 30 DBEDLO COCC(=O)NCC[NH+]1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC001096266413 826366712 /nfs/dbraw/zinc/36/67/12/826366712.db2.gz NNWRVEUYDILHJA-UHFFFAOYSA-N 1 2 318.381 -0.459 20 30 DBEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(N)=O)nn1 ZINC001097999145 826445355 /nfs/dbraw/zinc/44/53/55/826445355.db2.gz IYFXMAJJTHOCLN-WGBDABJCSA-N 1 2 318.381 -0.327 20 30 DBEDLO C=CCn1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(N)=O)nn1 ZINC001097999145 826445356 /nfs/dbraw/zinc/44/53/56/826445356.db2.gz IYFXMAJJTHOCLN-WGBDABJCSA-N 1 2 318.381 -0.327 20 30 DBEDLO C=CCNC(=O)C[NH2+]Cc1cn([C@H]2CCN(C(C)=O)C2)nn1 ZINC001098588374 826502655 /nfs/dbraw/zinc/50/26/55/826502655.db2.gz KEFMUCFMZHCLIT-ZDUSSCGKSA-N 1 2 306.370 -0.537 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CCCO3)C2)nn1 ZINC001098604333 826506232 /nfs/dbraw/zinc/50/62/32/826506232.db2.gz MKCASPRTHKDTOO-ZIAGYGMSSA-N 1 2 303.366 -0.047 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnsn3)C2)nn1 ZINC001098626449 826510165 /nfs/dbraw/zinc/51/01/65/826510165.db2.gz RGVFGXAINZUFAQ-NSHDSACASA-N 1 2 317.378 -0.060 20 30 DBEDLO CNC(=O)C[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)C#N)C2)nn1 ZINC001098632955 826510953 /nfs/dbraw/zinc/51/09/53/826510953.db2.gz GYFMUMFJONCOAL-CMPLNLGQSA-N 1 2 319.369 -0.953 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)nn1 ZINC001098636651 826511322 /nfs/dbraw/zinc/51/13/22/826511322.db2.gz CKXIGXSOFUYYJG-QWHCGFSZSA-N 1 2 316.365 -0.947 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)COCCOC)C2)nn1 ZINC001098634817 826511707 /nfs/dbraw/zinc/51/17/07/826511707.db2.gz XDXCSOBCCOAWQR-AWEZNQCLSA-N 1 2 321.381 -0.563 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3ncn(C)n3)C2)nn1 ZINC001098666618 826516395 /nfs/dbraw/zinc/51/63/95/826516395.db2.gz BUTZPEDRXJTEDH-LBPRGKRZSA-N 1 2 314.353 -0.783 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H](C)OCC#C)C2)nn1 ZINC001098673934 826518118 /nfs/dbraw/zinc/51/81/18/826518118.db2.gz WIEHHNPNKOOBFV-HIFRSBDPSA-N 1 2 315.377 -0.187 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3n[nH]nc3C)C2)nn1 ZINC001098698337 826521047 /nfs/dbraw/zinc/52/10/47/826521047.db2.gz STZSFGZLNZDDSK-LBPRGKRZSA-N 1 2 314.353 -0.485 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnn(C)n3)C2)nn1 ZINC001098745708 826525164 /nfs/dbraw/zinc/52/51/64/826525164.db2.gz KZEIYRTXHRUSEZ-GFCCVEGCSA-N 1 2 314.353 -0.783 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3ccn(C)n3)C2)nn1 ZINC001098779050 826527573 /nfs/dbraw/zinc/52/75/73/826527573.db2.gz DFGPBKBKMOJWDO-CYBMUJFWSA-N 1 2 313.365 -0.178 20 30 DBEDLO NC(=O)C[N@@H+]1C[C@@H](NC(=O)C#CC2CC2)CC2(CCOCC2)C1 ZINC001099580899 826573062 /nfs/dbraw/zinc/57/30/62/826573062.db2.gz FWUYPGSBCQWSOC-AWEZNQCLSA-N 1 2 319.405 -0.128 20 30 DBEDLO NC(=O)C[N@H+]1C[C@@H](NC(=O)C#CC2CC2)CC2(CCOCC2)C1 ZINC001099580899 826573067 /nfs/dbraw/zinc/57/30/67/826573067.db2.gz FWUYPGSBCQWSOC-AWEZNQCLSA-N 1 2 319.405 -0.128 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@@H](O)C1 ZINC001099622678 826587691 /nfs/dbraw/zinc/58/76/91/826587691.db2.gz BSBBUVLFMJLSMQ-CABCVRRESA-N 1 2 315.373 -0.399 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@@H](O)C1 ZINC001099622678 826587695 /nfs/dbraw/zinc/58/76/95/826587695.db2.gz BSBBUVLFMJLSMQ-CABCVRRESA-N 1 2 315.373 -0.399 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001099622605 826588216 /nfs/dbraw/zinc/58/82/16/826588216.db2.gz AQGKQTQVBFFTMJ-VXGBXAGGSA-N 1 2 305.334 -0.806 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001099622605 826588222 /nfs/dbraw/zinc/58/82/22/826588222.db2.gz AQGKQTQVBFFTMJ-VXGBXAGGSA-N 1 2 305.334 -0.806 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1 ZINC001099625164 826590371 /nfs/dbraw/zinc/59/03/71/826590371.db2.gz XKKMNWCESQSBFE-ZIAGYGMSSA-N 1 2 316.361 -0.509 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H](O)C1 ZINC001099625164 826590377 /nfs/dbraw/zinc/59/03/77/826590377.db2.gz XKKMNWCESQSBFE-ZIAGYGMSSA-N 1 2 316.361 -0.509 20 30 DBEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]2O)o1 ZINC001099641609 826596724 /nfs/dbraw/zinc/59/67/24/826596724.db2.gz FGNOEDCPZCYWTM-VXGBXAGGSA-N 1 2 320.349 -0.607 20 30 DBEDLO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]2O)o1 ZINC001099641609 826596729 /nfs/dbraw/zinc/59/67/29/826596729.db2.gz FGNOEDCPZCYWTM-VXGBXAGGSA-N 1 2 320.349 -0.607 20 30 DBEDLO Cc1occc1C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099644939 826599316 /nfs/dbraw/zinc/59/93/16/826599316.db2.gz LTRMJILKFNSXQU-STQMWFEESA-N 1 2 320.349 -0.607 20 30 DBEDLO Cc1occc1C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099644939 826599323 /nfs/dbraw/zinc/59/93/23/826599323.db2.gz LTRMJILKFNSXQU-STQMWFEESA-N 1 2 320.349 -0.607 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccsc2)[C@@H](O)C1 ZINC001099650577 826602880 /nfs/dbraw/zinc/60/28/80/826602880.db2.gz HGJFYEBZIHKXAO-STQMWFEESA-N 1 2 321.402 -0.338 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccsc2)[C@@H](O)C1 ZINC001099650577 826602886 /nfs/dbraw/zinc/60/28/86/826602886.db2.gz HGJFYEBZIHKXAO-STQMWFEESA-N 1 2 321.402 -0.338 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001099651139 826603182 /nfs/dbraw/zinc/60/31/82/826603182.db2.gz PTJQHGFRKMKCCI-MNOVXSKESA-N 1 2 301.412 -0.797 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CSC)[C@@H](O)C1 ZINC001099651139 826603187 /nfs/dbraw/zinc/60/31/87/826603187.db2.gz PTJQHGFRKMKCCI-MNOVXSKESA-N 1 2 301.412 -0.797 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCSC)[C@H](O)C1 ZINC001099655061 826605635 /nfs/dbraw/zinc/60/56/35/826605635.db2.gz WMVXFIBUUMRTDY-VXGBXAGGSA-N 1 2 315.439 -0.407 20 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C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cc(C#N)c[nH]3)C2)nn1 ZINC001105204875 827404900 /nfs/dbraw/zinc/40/49/00/827404900.db2.gz IAYMLMYWPSZTMD-UHFFFAOYSA-N 1 2 309.333 -0.102 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3COC(=O)C3)C2)nn1 ZINC001105210912 827405953 /nfs/dbraw/zinc/40/59/53/827405953.db2.gz CKTFUVMNMLICMP-LLVKDONJSA-N 1 2 317.349 -0.663 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@](C)(O)C3CC3)C2)nn1 ZINC001105215722 827407521 /nfs/dbraw/zinc/40/75/21/827407521.db2.gz GECPDXGEHLDIKX-MRXNPFEDSA-N 1 2 317.393 -0.065 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cncnc3)C2)nn1 ZINC001105218073 827408410 /nfs/dbraw/zinc/40/84/10/827408410.db2.gz VRHLOEWAQIFVEA-UHFFFAOYSA-N 1 2 311.349 -0.122 20 30 DBEDLO CC(C)C#CC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105233309 827412285 /nfs/dbraw/zinc/41/22/85/827412285.db2.gz STDZZRZNNCTXEL-LLVKDONJSA-N 1 2 318.381 -0.716 20 30 DBEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+][C@H](C)C(N)=O)nn2)C1 ZINC001105252386 827414794 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C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C=C)C2)nn1 ZINC001105328469 827428607 /nfs/dbraw/zinc/42/86/07/827428607.db2.gz GQOSIVVFJOBCNA-CABCVRRESA-N 1 2 315.377 -0.025 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](CC)NC(C)=O)C2)nn1 ZINC001105333184 827429890 /nfs/dbraw/zinc/42/98/90/827429890.db2.gz GSUGAWQHELQZFB-CQSZACIVSA-N 1 2 318.381 -0.701 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3ccn(CC)n3)C2)nn1 ZINC001105339053 827431135 /nfs/dbraw/zinc/43/11/35/827431135.db2.gz IOUSDFTWXXPWOO-UHFFFAOYSA-N 1 2 313.365 -0.086 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(C)n3)C2)nn1 ZINC001105344034 827432766 /nfs/dbraw/zinc/43/27/66/827432766.db2.gz IYLUAYXRBUWLJK-UHFFFAOYSA-N 1 2 314.353 -0.783 20 30 DBEDLO C#CCOCCC(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105708707 827465838 /nfs/dbraw/zinc/46/58/38/827465838.db2.gz WCWFAPGXUQHJCR-UHFFFAOYSA-N 1 2 310.394 -0.290 20 30 DBEDLO C=CCOCC(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105748229 827485562 /nfs/dbraw/zinc/48/55/62/827485562.db2.gz 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20 30 DBEDLO C[C@H](C#N)C(=O)NCCC[N@@H+](Cc1nc(=O)n(C)[nH]1)C1CC1 ZINC001479866756 1010420770 /nfs/dbraw/zinc/42/07/70/1010420770.db2.gz RPZZWADCUHXFRF-SNVBAGLBSA-N 1 2 306.370 -0.261 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001479899191 1010435155 /nfs/dbraw/zinc/43/51/55/1010435155.db2.gz XEDYVMVFZNHECY-CHWSQXEVSA-N 1 2 322.434 -0.038 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC001479899191 1010435169 /nfs/dbraw/zinc/43/51/69/1010435169.db2.gz XEDYVMVFZNHECY-CHWSQXEVSA-N 1 2 322.434 -0.038 20 30 DBEDLO COCC#CC[N@@H+]1CCC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001479900418 1010437072 /nfs/dbraw/zinc/43/70/72/1010437072.db2.gz PCBUSLYZQWNUCN-GFCCVEGCSA-N 1 2 303.366 -0.097 20 30 DBEDLO COCC#CC[N@H+]1CCC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001479900418 1010437082 /nfs/dbraw/zinc/43/70/82/1010437082.db2.gz PCBUSLYZQWNUCN-GFCCVEGCSA-N 1 2 303.366 -0.097 20 30 DBEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](CCNS(C)(=O)=O)C1 ZINC001479903159 1010439381 /nfs/dbraw/zinc/43/93/81/1010439381.db2.gz KPZSVYAYXGPTEN-ZDUSSCGKSA-N 1 2 315.439 -0.224 20 30 DBEDLO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC001479903159 1010439385 /nfs/dbraw/zinc/43/93/85/1010439385.db2.gz KPZSVYAYXGPTEN-ZDUSSCGKSA-N 1 2 315.439 -0.224 20 30 DBEDLO C#CCCCC(=O)NCC[NH+]1CCN(Cc2nncn2C)CC1 ZINC001479930936 1010451139 /nfs/dbraw/zinc/45/11/39/1010451139.db2.gz YXLWDOWVEQBKDW-UHFFFAOYSA-N 1 2 318.425 -0.148 20 30 DBEDLO C#CCCCC(=O)NCCN1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC001479930962 1010453334 /nfs/dbraw/zinc/45/33/34/1010453334.db2.gz ZQKQDQOMSPRVLI-CQSZACIVSA-N 1 2 308.426 -0.212 20 30 DBEDLO CCN(C)C(=O)C[NH+]1CCN(CCNC(=O)C#CC2CC2)CC1 ZINC001479931323 1010454365 /nfs/dbraw/zinc/45/43/65/1010454365.db2.gz VXBZGODOEWIVCU-UHFFFAOYSA-N 1 2 320.437 -0.388 20 30 DBEDLO C=CCN1CC[NH+](CCNC(=O)c2ccn(C)c(=O)c2)CC1 ZINC001479934097 1010455650 /nfs/dbraw/zinc/45/56/50/1010455650.db2.gz RJMJCHGZUYDADJ-UHFFFAOYSA-N 1 2 304.394 -0.081 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001479947665 1010470565 /nfs/dbraw/zinc/47/05/65/1010470565.db2.gz JGLPKXKMOIHHOT-WDEREUQCSA-N 1 2 318.381 -0.446 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001479947665 1010470568 /nfs/dbraw/zinc/47/05/68/1010470568.db2.gz JGLPKXKMOIHHOT-WDEREUQCSA-N 1 2 318.381 -0.446 20 30 DBEDLO Cc1cc(OCC(=O)N[C@H]2CC[N@H+](CC(=O)NCC#N)C2)no1 ZINC001479955915 1010478218 /nfs/dbraw/zinc/47/82/18/1010478218.db2.gz KHSMNOSXSIDHJY-NSHDSACASA-N 1 2 321.337 -0.808 20 30 DBEDLO Cc1cc(OCC(=O)N[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)no1 ZINC001479955915 1010478231 /nfs/dbraw/zinc/47/82/31/1010478231.db2.gz KHSMNOSXSIDHJY-NSHDSACASA-N 1 2 321.337 -0.808 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001479964150 1010485069 /nfs/dbraw/zinc/48/50/69/1010485069.db2.gz NNZIMWPSKHYXMF-JTQLQIEISA-N 1 2 319.365 -0.780 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)C1 ZINC001479964150 1010485093 /nfs/dbraw/zinc/48/50/93/1010485093.db2.gz NNZIMWPSKHYXMF-JTQLQIEISA-N 1 2 319.365 -0.780 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)c1cnnn1C ZINC001480316244 1010608176 /nfs/dbraw/zinc/60/81/76/1010608176.db2.gz FQVHDRKQTABIAI-LBPRGKRZSA-N 1 2 318.381 -0.851 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cnnn1C ZINC001480316244 1010608183 /nfs/dbraw/zinc/60/81/83/1010608183.db2.gz FQVHDRKQTABIAI-LBPRGKRZSA-N 1 2 318.381 -0.851 20 30 DBEDLO CNC(=O)Cc1noc(C[NH2+][C@@H](C)CNC(=O)C#CC(C)C)n1 ZINC001480457328 1010647575 /nfs/dbraw/zinc/64/75/75/1010647575.db2.gz JPUXLQFUBJWDRU-NSHDSACASA-N 1 2 321.381 -0.388 20 30 DBEDLO Cc1ncc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NCC#N)C2)[nH]1 ZINC001480720851 1010743521 /nfs/dbraw/zinc/74/35/21/1010743521.db2.gz GIIVTOADHKGUGS-LBPRGKRZSA-N 1 2 318.381 -0.106 20 30 DBEDLO Cc1ncc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)[nH]1 ZINC001480720851 1010743530 /nfs/dbraw/zinc/74/35/30/1010743530.db2.gz GIIVTOADHKGUGS-LBPRGKRZSA-N 1 2 318.381 -0.106 20 30 DBEDLO Cc1nn[nH]c1C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001480731355 1010744674 /nfs/dbraw/zinc/74/46/74/1010744674.db2.gz UBQWIYCGNIIOOF-NSHDSACASA-N 1 2 319.369 -0.711 20 30 DBEDLO Cc1nn[nH]c1C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001480731355 1010744683 /nfs/dbraw/zinc/74/46/83/1010744683.db2.gz UBQWIYCGNIIOOF-NSHDSACASA-N 1 2 319.369 -0.711 20 30 DBEDLO Cc1nn[nH]c1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001480731354 1010746753 /nfs/dbraw/zinc/74/67/53/1010746753.db2.gz UBQWIYCGNIIOOF-LLVKDONJSA-N 1 2 319.369 -0.711 20 30 DBEDLO Cc1nn[nH]c1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001480731354 1010746762 /nfs/dbraw/zinc/74/67/62/1010746762.db2.gz UBQWIYCGNIIOOF-LLVKDONJSA-N 1 2 319.369 -0.711 20 30 DBEDLO C[N@H+](CCNC(=O)c1cnn(C2CCC2)c1)CC(=O)NCC#N ZINC001480865062 1010784641 /nfs/dbraw/zinc/78/46/41/1010784641.db2.gz ZOZPHTDSUBLYSH-UHFFFAOYSA-N 1 2 318.381 -0.091 20 30 DBEDLO C[N@@H+](CCNC(=O)c1cnn(C2CCC2)c1)CC(=O)NCC#N ZINC001480865062 1010784647 /nfs/dbraw/zinc/78/46/47/1010784647.db2.gz ZOZPHTDSUBLYSH-UHFFFAOYSA-N 1 2 318.381 -0.091 20 30 DBEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1 ZINC001480886257 1010793061 /nfs/dbraw/zinc/79/30/61/1010793061.db2.gz PCFZYHMUWCEMNI-UHFFFAOYSA-N 1 2 318.377 -0.025 20 30 DBEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1 ZINC001480886257 1010793065 /nfs/dbraw/zinc/79/30/65/1010793065.db2.gz PCFZYHMUWCEMNI-UHFFFAOYSA-N 1 2 318.377 -0.025 20 30 DBEDLO C[N@H+](CCNC(=O)Cn1cc(Cl)cn1)CC(=O)NCC#N ZINC001480919685 1010804463 /nfs/dbraw/zinc/80/44/63/1010804463.db2.gz ZZSWEUWTPXFFFG-UHFFFAOYSA-N 1 2 312.761 -0.776 20 30 DBEDLO C[N@@H+](CCNC(=O)Cn1cc(Cl)cn1)CC(=O)NCC#N ZINC001480919685 1010804466 /nfs/dbraw/zinc/80/44/66/1010804466.db2.gz ZZSWEUWTPXFFFG-UHFFFAOYSA-N 1 2 312.761 -0.776 20 30 DBEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1cnc(OC)nc1 ZINC001480931253 1010807090 /nfs/dbraw/zinc/80/70/90/1010807090.db2.gz DQBUOSIBZVDOOL-UHFFFAOYSA-N 1 2 307.354 -0.551 20 30 DBEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1cnc(OC)nc1 ZINC001480931253 1010807091 /nfs/dbraw/zinc/80/70/91/1010807091.db2.gz DQBUOSIBZVDOOL-UHFFFAOYSA-N 1 2 307.354 -0.551 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(C(C)C)nn1C ZINC001480931572 1010809495 /nfs/dbraw/zinc/80/94/95/1010809495.db2.gz NLQYCPWLVMIWCA-UHFFFAOYSA-N 1 2 319.409 -0.046 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(C(C)C)nn1C ZINC001480931572 1010809501 /nfs/dbraw/zinc/80/95/01/1010809501.db2.gz NLQYCPWLVMIWCA-UHFFFAOYSA-N 1 2 319.409 -0.046 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)c1nnn(C)c1C ZINC001481033718 1010830272 /nfs/dbraw/zinc/83/02/72/1010830272.db2.gz WPNSQGCCKNFSAZ-LBPRGKRZSA-N 1 2 320.397 -0.380 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)c1nnn(C)c1C ZINC001481033718 1010830276 /nfs/dbraw/zinc/83/02/76/1010830276.db2.gz WPNSQGCCKNFSAZ-LBPRGKRZSA-N 1 2 320.397 -0.380 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)c1ncoc1C ZINC001481028320 1010830898 /nfs/dbraw/zinc/83/08/98/1010830898.db2.gz KIOYWNOWEXJOTC-GFCCVEGCSA-N 1 2 304.350 -0.073 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncoc1C ZINC001481028320 1010830904 /nfs/dbraw/zinc/83/09/04/1010830904.db2.gz KIOYWNOWEXJOTC-GFCCVEGCSA-N 1 2 304.350 -0.073 20 30 DBEDLO Cn1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)n1 ZINC001481069779 1010836261 /nfs/dbraw/zinc/83/62/61/1010836261.db2.gz JSRWSHBZNDAUPR-LLVKDONJSA-N 1 2 304.354 -0.746 20 30 DBEDLO Cn1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NCC#N)n1 ZINC001481069779 1010836264 /nfs/dbraw/zinc/83/62/64/1010836264.db2.gz JSRWSHBZNDAUPR-LLVKDONJSA-N 1 2 304.354 -0.746 20 30 DBEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CC1 ZINC001481379733 1010894587 /nfs/dbraw/zinc/89/45/87/1010894587.db2.gz JFGTYWQDQQQRCW-AEGPPILISA-N 1 2 319.405 -0.022 20 30 DBEDLO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CC1 ZINC001481379733 1010894589 /nfs/dbraw/zinc/89/45/89/1010894589.db2.gz JFGTYWQDQQQRCW-AEGPPILISA-N 1 2 319.405 -0.022 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001481527839 1010898191 /nfs/dbraw/zinc/89/81/91/1010898191.db2.gz NIZDGNGVYUUIDK-DOMZBBRYSA-N 1 2 311.357 -0.555 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001481527839 1010898196 /nfs/dbraw/zinc/89/81/96/1010898196.db2.gz NIZDGNGVYUUIDK-DOMZBBRYSA-N 1 2 311.357 -0.555 20 30 DBEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](CCN(C)S(C)(=O)=O)C1 ZINC001481532809 1010899424 /nfs/dbraw/zinc/89/94/24/1010899424.db2.gz AZIWRZQMHJRJKV-RYUDHWBXSA-N 1 2 316.427 -0.382 20 30 DBEDLO C[C@@H](C#N)C(=O)N[C@H]1CCC[N@@H+](CCN(C)S(C)(=O)=O)C1 ZINC001481532809 1010899428 /nfs/dbraw/zinc/89/94/28/1010899428.db2.gz AZIWRZQMHJRJKV-RYUDHWBXSA-N 1 2 316.427 -0.382 20 30 DBEDLO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001481536316 1010902066 /nfs/dbraw/zinc/90/20/66/1010902066.db2.gz HSUHGBZXSCTLOH-JTQLQIEISA-N 1 2 324.834 -0.627 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001481533579 1010900333 /nfs/dbraw/zinc/90/03/33/1010900333.db2.gz FUQIEPBZUPVEKI-LBPRGKRZSA-N 1 2 317.349 -0.379 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001481533579 1010900337 /nfs/dbraw/zinc/90/03/37/1010900337.db2.gz FUQIEPBZUPVEKI-LBPRGKRZSA-N 1 2 317.349 -0.379 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001481537042 1010901332 /nfs/dbraw/zinc/90/13/32/1010901332.db2.gz YEYNEUOLVSKYGA-STQMWFEESA-N 1 2 322.409 -0.510 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2C)C1 ZINC001481537042 1010901336 /nfs/dbraw/zinc/90/13/36/1010901336.db2.gz YEYNEUOLVSKYGA-STQMWFEESA-N 1 2 322.409 -0.510 20 30 DBEDLO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CNS(=O)(=O)NC)C1 ZINC001481536316 1010902064 /nfs/dbraw/zinc/90/20/64/1010902064.db2.gz HSUHGBZXSCTLOH-JTQLQIEISA-N 1 2 324.834 -0.627 20 30 DBEDLO C=CCNC(=O)[C@H](C)N1CC(NC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001481597979 1010926961 /nfs/dbraw/zinc/92/69/61/1010926961.db2.gz NNWHKDORUHZYSA-NSHDSACASA-N 1 2 305.382 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/nfs/dbraw/zinc/94/53/36/1010945336.db2.gz XNLDTHZXHPGRFU-UHFFFAOYSA-N 1 2 322.409 -0.651 20 30 DBEDLO C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)c2ccncn2)C1 ZINC001481651242 1010950239 /nfs/dbraw/zinc/95/02/39/1010950239.db2.gz VSBMMZCFTQHJTQ-NSHDSACASA-N 1 2 303.366 -0.171 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)c2nocc2C)C1 ZINC001481653218 1010952490 /nfs/dbraw/zinc/95/24/90/1010952490.db2.gz HPLPRSSHTWZLEP-LLVKDONJSA-N 1 2 304.350 -0.217 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001481688139 1010964225 /nfs/dbraw/zinc/96/42/25/1010964225.db2.gz NEGLLADAQPQXTH-QWRGUYRKSA-N 1 2 306.370 -0.690 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001481688139 1010964230 /nfs/dbraw/zinc/96/42/30/1010964230.db2.gz NEGLLADAQPQXTH-QWRGUYRKSA-N 1 2 306.370 -0.690 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cnn(CC)n2)C1 ZINC001481688222 1010965681 /nfs/dbraw/zinc/96/56/81/1010965681.db2.gz USNKUHHLHJVUSQ-RYUDHWBXSA-N 1 2 320.397 -0.207 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1010970276 /nfs/dbraw/zinc/97/02/76/1010970276.db2.gz JMDZQLSQYRYHAB-GFCCVEGCSA-N 1 2 301.350 -0.661 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2nccc(C)n2)C1 ZINC001481701292 1010970282 /nfs/dbraw/zinc/97/02/82/1010970282.db2.gz JMDZQLSQYRYHAB-GFCCVEGCSA-N 1 2 301.350 -0.661 20 30 DBEDLO CN(C(=O)Cc1cc[nH]n1)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001481720204 1010979345 /nfs/dbraw/zinc/97/93/45/1010979345.db2.gz LPUOPNILCBSRKX-LBPRGKRZSA-N 1 2 304.354 -0.875 20 30 DBEDLO CN(C(=O)Cc1cc[nH]n1)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481720204 1010979350 /nfs/dbraw/zinc/97/93/50/1010979350.db2.gz LPUOPNILCBSRKX-LBPRGKRZSA-N 1 2 304.354 -0.875 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2n[nH]nc2C)C1 ZINC001481736417 1010987016 /nfs/dbraw/zinc/98/70/16/1010987016.db2.gz VSQAVVRGIUYBIC-NEPJUHHUSA-N 1 2 318.381 -0.603 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]nc2C)C1 ZINC001481736417 1010987019 /nfs/dbraw/zinc/98/70/19/1010987019.db2.gz 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/nfs/dbraw/zinc/98/50/79/1011985079.db2.gz RXKLJDWOJJKROS-STQMWFEESA-N 1 2 303.366 -0.789 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)Cn1cccn1 ZINC001483629990 1011985115 /nfs/dbraw/zinc/98/51/15/1011985115.db2.gz RXKLJDWOJJKROS-STQMWFEESA-N 1 2 303.366 -0.789 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cc1cc(C)on1 ZINC001483642335 1012002375 /nfs/dbraw/zinc/00/23/75/1012002375.db2.gz YZFQKYOBJLMBTP-JSGCOSHPSA-N 1 2 318.377 -0.146 20 30 DBEDLO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CNC(=O)Cc1cc(C)on1 ZINC001483642335 1012002399 /nfs/dbraw/zinc/00/23/99/1012002399.db2.gz YZFQKYOBJLMBTP-JSGCOSHPSA-N 1 2 318.377 -0.146 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1nnc(C)o1 ZINC001483646709 1012010210 /nfs/dbraw/zinc/01/02/10/1012010210.db2.gz DUABJDMXOZZGDQ-CMPLNLGQSA-N 1 2 321.381 -0.198 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cc1nnc(C)o1 ZINC001483646709 1012010216 /nfs/dbraw/zinc/01/02/16/1012010216.db2.gz DUABJDMXOZZGDQ-CMPLNLGQSA-N 1 2 321.381 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1012012232 /nfs/dbraw/zinc/01/22/32/1012012232.db2.gz USOVYJRJQVJQGZ-AWEZNQCLSA-N 1 2 307.394 -0.161 20 30 DBEDLO COCC#CC[N@@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)COCC2 ZINC001483657661 1012025412 /nfs/dbraw/zinc/02/54/12/1012025412.db2.gz CZNVIWTYYZDXMH-ZDUSSCGKSA-N 1 2 318.377 -0.133 20 30 DBEDLO COCC#CC[N@H+]1CC[C@H]1CNC(=O)c1cn2c(n1)COCC2 ZINC001483657661 1012025433 /nfs/dbraw/zinc/02/54/33/1012025433.db2.gz CZNVIWTYYZDXMH-ZDUSSCGKSA-N 1 2 318.377 -0.133 20 30 DBEDLO COCC#CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn(C)c(=O)c1 ZINC001483659883 1012030088 /nfs/dbraw/zinc/03/00/88/1012030088.db2.gz VIEWCPPJOZMBAN-CQSZACIVSA-N 1 2 303.362 -0.161 20 30 DBEDLO COCC#CC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(C)c(=O)c1 ZINC001483659883 1012030106 /nfs/dbraw/zinc/03/01/06/1012030106.db2.gz VIEWCPPJOZMBAN-CQSZACIVSA-N 1 2 303.362 -0.161 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)COCC(F)F ZINC001483667764 1012033574 /nfs/dbraw/zinc/03/35/74/1012033574.db2.gz OXXLVMYBTHHRGB-GHMZBOCLSA-N 1 2 317.336 -0.404 20 30 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306.366 -0.261 20 30 DBEDLO C=CCCOCC(=O)N[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1O ZINC001572829229 1026485908 /nfs/dbraw/zinc/48/59/08/1026485908.db2.gz IIEMYEHNUFRBGT-CHWSQXEVSA-N 1 2 322.365 -0.836 20 30 DBEDLO C=CCCCC(=O)N1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)[C@@H](O)C1 ZINC001573026792 1026512296 /nfs/dbraw/zinc/51/22/96/1026512296.db2.gz WVLRAUABWSBHLA-NEPJUHHUSA-N 1 2 306.366 -0.004 20 30 DBEDLO C#CCCCC(=O)N[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1O ZINC001573672418 1026614733 /nfs/dbraw/zinc/61/47/33/1026614733.db2.gz GGGSCLZAAJUIQG-OLZOCXBDSA-N 1 2 318.377 -0.166 20 30 DBEDLO C#CCCCC(=O)N[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1O ZINC001573672420 1026614819 /nfs/dbraw/zinc/61/48/19/1026614819.db2.gz GGGSCLZAAJUIQG-QWHCGFSZSA-N 1 2 318.377 -0.166 20 30 DBEDLO C#CCCCC(=O)N1CC[C@H](NC(=O)Cc2[nH]cc[nH+]2)[C@H](O)C1 ZINC001573689226 1026620599 /nfs/dbraw/zinc/62/05/99/1026620599.db2.gz ZLYJPADYZMTYCG-QWHCGFSZSA-N 1 2 318.377 -0.166 20 30 DBEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3)n2CC=C)CC1 ZINC001574707511 1026801328 /nfs/dbraw/zinc/80/13/28/1026801328.db2.gz UTHFQIJHQQVITJ-CQSZACIVSA-N 1 2 316.409 -0.120 20 30 DBEDLO CC[C@@H](CC#N)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000183960526 529446957 /nfs/dbraw/zinc/44/69/57/529446957.db2.gz LBKAZLVUYPQPNQ-KBPBESRZSA-N 1 2 322.409 -0.024 20 30 DBEDLO CNC(=O)NCCC(=O)N(CCC#N)CC[NH+]1CCOCC1 ZINC000339585921 529885173 /nfs/dbraw/zinc/88/51/73/529885173.db2.gz CZHUPZOLQPPTMN-UHFFFAOYSA-N 1 2 311.386 -0.620 20 30 DBEDLO CN(CCC#N)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000104320006 529867801 /nfs/dbraw/zinc/86/78/01/529867801.db2.gz PXSLEGCHMGJKOD-CYBMUJFWSA-N 1 2 308.382 -0.461 20 30 DBEDLO CNC(=O)[C@@H](NC(=O)CO[NH+]=C(N)CCO)c1ccccc1 ZINC000275522001 529896325 /nfs/dbraw/zinc/89/63/25/529896325.db2.gz OOJWAZXTLQCGBG-ZDUSSCGKSA-N 1 2 308.338 -0.739 20 30 DBEDLO CC[C@H]1C[N@H+](CCNC(=O)NCCn2cnc(C#N)n2)CCO1 ZINC000357877532 138147002 /nfs/dbraw/zinc/14/70/02/138147002.db2.gz LGYXBJHGDZXFIR-LBPRGKRZSA-N 1 2 321.385 -0.440 20 30 DBEDLO CC[C@H]1C[N@@H+](CCNC(=O)NCCn2cnc(C#N)n2)CCO1 ZINC000357877532 138147003 /nfs/dbraw/zinc/14/70/03/138147003.db2.gz LGYXBJHGDZXFIR-LBPRGKRZSA-N 1 2 321.385 -0.440 20 30 DBEDLO N#C[C@H]1CN(S(=O)(=O)NCCNc2cccc[nH+]2)CCO1 ZINC000336939428 237039575 /nfs/dbraw/zinc/03/95/75/237039575.db2.gz IGRDILOBDRQQLK-NSHDSACASA-N 1 2 311.367 -0.448 20 30 DBEDLO N#CCCOCC[NH+]1CCN(C(=O)CN2CCOCC2)CC1 ZINC000338881087 237071146 /nfs/dbraw/zinc/07/11/46/237071146.db2.gz FELKEIIGIAHDAL-UHFFFAOYSA-N 1 2 310.398 -0.607 20 30 DBEDLO N#CC1(C(=O)N(CCO)CC[NH+]2CCOCC2)CCOCC1 ZINC000339804698 237132406 /nfs/dbraw/zinc/13/24/06/237132406.db2.gz MZSKFQQPGUTMJA-UHFFFAOYSA-N 1 2 311.382 -0.540 20 30 DBEDLO Cn1cc[nH+]c1[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C)C2)CCN1C ZINC000329965372 237274897 /nfs/dbraw/zinc/27/48/97/237274897.db2.gz RBITWAJZPYFPCD-NEPJUHHUSA-N 1 2 320.397 -0.147 20 30 DBEDLO N#CCCCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000360250610 237284115 /nfs/dbraw/zinc/28/41/15/237284115.db2.gz IUEGQOWEWAOVRA-CYBMUJFWSA-N 1 2 308.382 -0.270 20 30 DBEDLO CN(C)C(=O)C[N@@H+]1CCCN(S(=O)(=O)CCCC#N)CC1 ZINC000111328100 237380101 /nfs/dbraw/zinc/38/01/01/237380101.db2.gz SUPBTMMPYBLBPJ-UHFFFAOYSA-N 1 2 316.427 -0.284 20 30 DBEDLO CN(C)C(=O)C[N@H+]1CCCN(S(=O)(=O)CCCC#N)CC1 ZINC000111328100 237380104 /nfs/dbraw/zinc/38/01/04/237380104.db2.gz SUPBTMMPYBLBPJ-UHFFFAOYSA-N 1 2 316.427 -0.284 20 30 DBEDLO C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@H](C)[N@H+]1CCO ZINC000451894678 238389766 /nfs/dbraw/zinc/38/97/66/238389766.db2.gz VVFYXYQJPMABRU-TXEJJXNPSA-N 1 2 304.416 -0.536 20 30 DBEDLO C[C@@H]1CN(S(=O)(=O)N(C)CCC#N)C[C@H](C)[N@@H+]1CCO ZINC000451894678 238389769 /nfs/dbraw/zinc/38/97/69/238389769.db2.gz VVFYXYQJPMABRU-TXEJJXNPSA-N 1 2 304.416 -0.536 20 30 DBEDLO C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1cccnc1C#N ZINC000577511213 374237691 /nfs/dbraw/zinc/23/76/91/374237691.db2.gz YJWZRABHZZWDSV-NSHDSACASA-N 1 2 310.379 -0.360 20 30 DBEDLO C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1cccnc1C#N ZINC000577511213 374237698 /nfs/dbraw/zinc/23/76/98/374237698.db2.gz YJWZRABHZZWDSV-NSHDSACASA-N 1 2 310.379 -0.360 20 30 DBEDLO C#CCNC(=O)CN1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000046093195 374396291 /nfs/dbraw/zinc/39/62/91/374396291.db2.gz HTFJYLKTWUWIJF-UHFFFAOYSA-N 1 2 314.389 -0.348 20 30 DBEDLO N#CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CC1 ZINC000609167172 374478873 /nfs/dbraw/zinc/47/88/73/374478873.db2.gz WZWVBTSFDQRVMK-CYBMUJFWSA-N 1 2 320.393 -0.318 20 30 DBEDLO C#CC[N@@H+](C)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000298465694 374476676 /nfs/dbraw/zinc/47/66/76/374476676.db2.gz IIXBMKMYTGDFJR-UHFFFAOYSA-N 1 2 306.366 -0.467 20 30 DBEDLO C#CC[N@H+](C)CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O ZINC000298465694 374476682 /nfs/dbraw/zinc/47/66/82/374476682.db2.gz IIXBMKMYTGDFJR-UHFFFAOYSA-N 1 2 306.366 -0.467 20 30 DBEDLO CCC[C@@H](C#N)NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000609170466 374478489 /nfs/dbraw/zinc/47/84/89/374478489.db2.gz SDUKLZQHSLVVGC-KBPBESRZSA-N 1 2 322.409 -0.024 20 30 DBEDLO C=CCNC(=O)C[NH+]1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000047509940 374507012 /nfs/dbraw/zinc/50/70/12/374507012.db2.gz QGIDEGAQGNSXFO-UHFFFAOYSA-N 1 2 301.354 -0.223 20 30 DBEDLO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)Cn2cc[nH+]c2)C1=O ZINC000299599898 374531922 /nfs/dbraw/zinc/53/19/22/374531922.db2.gz XJFZYFPLRBBUPM-SNVBAGLBSA-N 1 2 319.321 -0.635 20 30 DBEDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000579495505 374561954 /nfs/dbraw/zinc/56/19/54/374561954.db2.gz DBHYSCNOCLKBOY-LLVKDONJSA-N 1 2 310.379 -0.360 20 30 DBEDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc(C#N)nc1 ZINC000579495505 374561961 /nfs/dbraw/zinc/56/19/61/374561961.db2.gz DBHYSCNOCLKBOY-LLVKDONJSA-N 1 2 310.379 -0.360 20 30 DBEDLO N#Cc1ccc(S(=O)(=O)CC[N@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000320750409 374908917 /nfs/dbraw/zinc/90/89/17/374908917.db2.gz AJNLQTXODABATD-AWEZNQCLSA-N 1 2 323.374 -0.746 20 30 DBEDLO N#Cc1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000320750409 374908924 /nfs/dbraw/zinc/90/89/24/374908924.db2.gz AJNLQTXODABATD-AWEZNQCLSA-N 1 2 323.374 -0.746 20 30 DBEDLO N#Cc1ccccc1OCC(=O)N1CCC[N@@H+](CC(N)=O)CC1 ZINC000363060555 375039886 /nfs/dbraw/zinc/03/98/86/375039886.db2.gz WTEGADATQGOILK-UHFFFAOYSA-N 1 2 316.361 -0.043 20 30 DBEDLO N#Cc1ccccc1OCC(=O)N1CCC[N@H+](CC(N)=O)CC1 ZINC000363060555 375039891 /nfs/dbraw/zinc/03/98/91/375039891.db2.gz WTEGADATQGOILK-UHFFFAOYSA-N 1 2 316.361 -0.043 20 30 DBEDLO C[C@@H]1C[N@H+](CCNC(=O)C(=O)Nc2cccc(C#N)n2)CCO1 ZINC000572999550 375104551 /nfs/dbraw/zinc/10/45/51/375104551.db2.gz GUAPKAXLLPTEGK-LLVKDONJSA-N 1 2 317.349 -0.271 20 30 DBEDLO C[C@@H]1C[N@@H+](CCNC(=O)C(=O)Nc2cccc(C#N)n2)CCO1 ZINC000572999550 375104559 /nfs/dbraw/zinc/10/45/59/375104559.db2.gz GUAPKAXLLPTEGK-LLVKDONJSA-N 1 2 317.349 -0.271 20 30 DBEDLO C#CC[NH+]1CCN(C(=O)CN2CCCC[C@@H]2C(=O)OC)CC1 ZINC000081646846 375155768 /nfs/dbraw/zinc/15/57/68/375155768.db2.gz PKJHCNJUQFSOSN-CQSZACIVSA-N 1 2 307.394 -0.209 20 30 DBEDLO CC(=O)N1CC[NH+](CCNC(=O)c2cc(C#N)cn2C)CC1 ZINC000081667141 375156777 /nfs/dbraw/zinc/15/67/77/375156777.db2.gz QTQPVASOKOTUKA-UHFFFAOYSA-N 1 2 303.366 -0.209 20 30 DBEDLO N#Cc1ncccc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000236491014 375322885 /nfs/dbraw/zinc/32/28/85/375322885.db2.gz GNFRRXYOBXLTHK-UHFFFAOYSA-N 1 2 310.379 -0.358 20 30 DBEDLO N#Cc1ncccc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000236491014 375322888 /nfs/dbraw/zinc/32/28/88/375322888.db2.gz GNFRRXYOBXLTHK-UHFFFAOYSA-N 1 2 310.379 -0.358 20 30 DBEDLO N#Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCOCC2)ccn1 ZINC000355989887 375258533 /nfs/dbraw/zinc/25/85/33/375258533.db2.gz QERNOHLHYADFJL-UHFFFAOYSA-N 1 2 317.349 -0.869 20 30 DBEDLO C#CCN1CCN(C(=O)CSCC[NH+]2CCOCC2)CC1 ZINC000159810313 375335191 /nfs/dbraw/zinc/33/51/91/375335191.db2.gz NIKQSVRZLYNWLQ-UHFFFAOYSA-N 1 2 311.451 -0.171 20 30 DBEDLO COCC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)C(N)=O ZINC000264375984 375491164 /nfs/dbraw/zinc/49/11/64/375491164.db2.gz KJBUNGYBGRTAGI-GFCCVEGCSA-N 1 2 318.377 -0.003 20 30 DBEDLO COCC[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)C(N)=O ZINC000264375984 375491174 /nfs/dbraw/zinc/49/11/74/375491174.db2.gz KJBUNGYBGRTAGI-GFCCVEGCSA-N 1 2 318.377 -0.003 20 30 DBEDLO C[N@@H+]1CCO[C@@H](CS(=O)(=O)N2CCSC[C@H]2C#N)C1 ZINC000601387560 375596508 /nfs/dbraw/zinc/59/65/08/375596508.db2.gz YRBFYNRUXGAGAV-GHMZBOCLSA-N 1 2 305.425 -0.412 20 30 DBEDLO C[N@H+]1CCO[C@@H](CS(=O)(=O)N2CCSC[C@H]2C#N)C1 ZINC000601387560 375596512 /nfs/dbraw/zinc/59/65/12/375596512.db2.gz YRBFYNRUXGAGAV-GHMZBOCLSA-N 1 2 305.425 -0.412 20 30 DBEDLO C[N@@H+]1CCO[C@H](CS(=O)(=O)N2CCSC[C@H]2C#N)C1 ZINC000601387561 375597645 /nfs/dbraw/zinc/59/76/45/375597645.db2.gz YRBFYNRUXGAGAV-MNOVXSKESA-N 1 2 305.425 -0.412 20 30 DBEDLO C[N@H+]1CCO[C@H](CS(=O)(=O)N2CCSC[C@H]2C#N)C1 ZINC000601387561 375597649 /nfs/dbraw/zinc/59/76/49/375597649.db2.gz YRBFYNRUXGAGAV-MNOVXSKESA-N 1 2 305.425 -0.412 20 30 DBEDLO C[C@@H](C#N)CN(C)S(=O)(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000601418397 375607261 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ZINC001032420246 678426084 /nfs/dbraw/zinc/42/60/84/678426084.db2.gz OOUMSOUQLPZMIK-RYUDHWBXSA-N 1 2 302.382 -0.111 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001032623351 678584333 /nfs/dbraw/zinc/58/43/33/678584333.db2.gz JMKJGORHIGEYLM-ZQDZILKHSA-N 1 2 319.405 -0.069 20 30 DBEDLO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC001032623351 678584334 /nfs/dbraw/zinc/58/43/34/678584334.db2.gz JMKJGORHIGEYLM-ZQDZILKHSA-N 1 2 319.405 -0.069 20 30 DBEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001032722558 678793030 /nfs/dbraw/zinc/79/30/30/678793030.db2.gz YEPFCDKPHNPLEV-AGIUHOORSA-N 1 2 301.350 -0.229 20 30 DBEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC001032722558 678793032 /nfs/dbraw/zinc/79/30/32/678793032.db2.gz YEPFCDKPHNPLEV-AGIUHOORSA-N 1 2 301.350 -0.229 20 30 DBEDLO C#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@H]2CCOC2)nn1 ZINC001032722561 678793341 /nfs/dbraw/zinc/79/33/41/678793341.db2.gz YEPFCDKPHNPLEV-AVGNSLFASA-N 1 2 301.350 -0.229 20 30 DBEDLO C#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn([C@H]2CCOC2)nn1 ZINC001032722561 678793345 /nfs/dbraw/zinc/79/33/45/678793345.db2.gz YEPFCDKPHNPLEV-AVGNSLFASA-N 1 2 301.350 -0.229 20 30 DBEDLO C#Cc1ccc(C(=O)N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)cn1 ZINC001000562382 678852732 /nfs/dbraw/zinc/85/27/32/678852732.db2.gz OMYRVENCPRKAAZ-UHFFFAOYSA-N 1 2 309.329 -0.031 20 30 DBEDLO N#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001032794049 678860396 /nfs/dbraw/zinc/86/03/96/678860396.db2.gz MQNFTKLTUAUSJR-KKUMJFAQSA-N 1 2 304.394 -0.094 20 30 DBEDLO C#CCOCCC(=O)N1CC[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001295714565 805586797 /nfs/dbraw/zinc/58/67/97/805586797.db2.gz GGRYHPKRBCJMOF-ZDUSSCGKSA-N 1 2 318.377 -0.043 20 30 DBEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)Cc1nnc[nH]1 ZINC001296247446 805623474 /nfs/dbraw/zinc/62/34/74/805623474.db2.gz TTYIXNOOIWEVNR-LBPRGKRZSA-N 1 2 318.381 -0.981 20 30 DBEDLO N#CCSCC(=O)N1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001297106131 805676182 /nfs/dbraw/zinc/67/61/82/805676182.db2.gz LQESXUGDFXDHOA-UHFFFAOYSA-N 1 2 307.379 -0.143 20 30 DBEDLO C=C[C@H](C)ONC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000846551384 805764229 /nfs/dbraw/zinc/76/42/29/805764229.db2.gz SFEDGJRVMPQAAV-STQMWFEESA-N 1 2 311.382 -0.211 20 30 DBEDLO C#C[C@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000847025619 805783831 /nfs/dbraw/zinc/78/38/31/805783831.db2.gz NYVRYVBKHRHLOP-JTQLQIEISA-N 1 2 304.350 -0.806 20 30 DBEDLO C#C[C@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000847025619 805783835 /nfs/dbraw/zinc/78/38/35/805783835.db2.gz NYVRYVBKHRHLOP-JTQLQIEISA-N 1 2 304.350 -0.806 20 30 DBEDLO C#C[C@@H]1CCC[N@@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000847025621 805783849 /nfs/dbraw/zinc/78/38/49/805783849.db2.gz NYVRYVBKHRHLOP-SNVBAGLBSA-N 1 2 304.350 -0.806 20 30 DBEDLO C#C[C@@H]1CCC[N@H+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000847025621 805783853 /nfs/dbraw/zinc/78/38/53/805783853.db2.gz NYVRYVBKHRHLOP-SNVBAGLBSA-N 1 2 304.350 -0.806 20 30 DBEDLO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000847032424 805785302 /nfs/dbraw/zinc/78/53/02/805785302.db2.gz SVSDPGPCUQRFQL-MNOVXSKESA-N 1 2 318.377 -0.417 20 30 DBEDLO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)C1 ZINC000847032424 805785310 /nfs/dbraw/zinc/78/53/10/805785310.db2.gz SVSDPGPCUQRFQL-MNOVXSKESA-N 1 2 318.377 -0.417 20 30 DBEDLO C=C[C@@](C)(O)CC(=O)NCC1(NC(=O)Cn2cc[nH+]c2)CC1 ZINC001299152861 805865253 /nfs/dbraw/zinc/86/52/53/805865253.db2.gz PLEKDTNPIVTAPF-CQSZACIVSA-N 1 2 306.366 -0.025 20 30 DBEDLO C#CCOCCC(=O)NCC1(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001299161827 805865706 /nfs/dbraw/zinc/86/57/06/805865706.db2.gz KVECCLSYGLNEQP-UHFFFAOYSA-N 1 2 318.377 -0.233 20 30 DBEDLO C=CCOCC(=O)N1CC(N(C)C(=O)Cc2c[nH+]cn2C)C1 ZINC001299384513 805883372 /nfs/dbraw/zinc/88/33/72/805883372.db2.gz WSGZTABCIYEERK-UHFFFAOYSA-N 1 2 306.366 -0.166 20 30 DBEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC001308004175 805932991 /nfs/dbraw/zinc/93/29/91/805932991.db2.gz DSAMJARBTSLNNQ-KGLIPLIRSA-N 1 2 317.345 -0.257 20 30 DBEDLO C#Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC001308004175 805932993 /nfs/dbraw/zinc/93/29/93/805932993.db2.gz DSAMJARBTSLNNQ-KGLIPLIRSA-N 1 2 317.345 -0.257 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001316601902 805964702 /nfs/dbraw/zinc/96/47/02/805964702.db2.gz SCTRYDWSLLJFKI-NSHDSACASA-N 1 2 319.365 -0.979 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1c[nH]c(=O)n1C ZINC001316601902 805964705 /nfs/dbraw/zinc/96/47/05/805964705.db2.gz SCTRYDWSLLJFKI-NSHDSACASA-N 1 2 319.365 -0.979 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001316598633 805965044 /nfs/dbraw/zinc/96/50/44/805965044.db2.gz FCFGAHIASHXUCL-CHWSQXEVSA-N 1 2 322.409 -0.653 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001316598633 805965050 /nfs/dbraw/zinc/96/50/50/805965050.db2.gz FCFGAHIASHXUCL-CHWSQXEVSA-N 1 2 322.409 -0.653 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001316604331 805965974 /nfs/dbraw/zinc/96/59/74/805965974.db2.gz YZXXOWPARMSDAK-OLZOCXBDSA-N 1 2 322.409 -0.700 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCN(C)C1=O ZINC001316604331 805965978 /nfs/dbraw/zinc/96/59/78/805965978.db2.gz YZXXOWPARMSDAK-OLZOCXBDSA-N 1 2 322.409 -0.700 20 30 DBEDLO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001316605765 805966246 /nfs/dbraw/zinc/96/62/46/805966246.db2.gz ZYTAZXTZKBWGBB-ZDUSSCGKSA-N 1 2 318.377 -0.517 20 30 DBEDLO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH]c(=O)c1=O ZINC001316605765 805966252 /nfs/dbraw/zinc/96/62/52/805966252.db2.gz ZYTAZXTZKBWGBB-ZDUSSCGKSA-N 1 2 318.377 -0.517 20 30 DBEDLO C#CCN1CCN(C(=O)C[N@@H+](C)CCN(C)C(=O)OC)CC1 ZINC000852570103 805968612 /nfs/dbraw/zinc/96/86/12/805968612.db2.gz ISKVASPXJGGPNY-UHFFFAOYSA-N 1 2 310.398 -0.606 20 30 DBEDLO 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N#CCNC(=O)CN1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001316947472 806040661 /nfs/dbraw/zinc/04/06/61/806040661.db2.gz MHSYTGCINNFMST-CYBMUJFWSA-N 1 2 318.381 -0.506 20 30 DBEDLO C=C(C)CCC(=O)NCCN1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001316965188 806046308 /nfs/dbraw/zinc/04/63/08/806046308.db2.gz TWVSJCNTKWJJKF-CQSZACIVSA-N 1 2 308.426 -0.035 20 30 DBEDLO N#CCN1CC[NH+](CCNC(=O)c2cn3c(n2)COCC3)CC1 ZINC001316964644 806046688 /nfs/dbraw/zinc/04/66/88/806046688.db2.gz DFZVZIUQTOFVOK-UHFFFAOYSA-N 1 2 318.381 -0.716 20 30 DBEDLO C#CCN1CC[NH+](CCNC(=O)[C@H]2CC(=O)N(CC)C2)CC1 ZINC001316965100 806047491 /nfs/dbraw/zinc/04/74/91/806047491.db2.gz QDSUVAGAEFNFRH-AWEZNQCLSA-N 1 2 306.410 -0.778 20 30 DBEDLO COc1ccncc1CC(=O)NCC[NH+]1CCN(CC#N)CC1 ZINC001316964690 806047639 /nfs/dbraw/zinc/04/76/39/806047639.db2.gz GSTRAAWAXQZJBZ-UHFFFAOYSA-N 1 2 317.393 -0.110 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)OCC(C)C)C1 ZINC001316973150 806052309 /nfs/dbraw/zinc/05/23/09/806052309.db2.gz 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DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)c3ccnnc3)nn2)C1 ZINC001094324399 826231694 /nfs/dbraw/zinc/23/16/94/826231694.db2.gz VDZVVXNXWUZBIL-UHFFFAOYSA-N 1 2 311.349 -0.122 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cnn(C)c3C)CC2=O)C1 ZINC001094702475 826261093 /nfs/dbraw/zinc/26/10/93/826261093.db2.gz AKSQXHZETDOFNW-LBPRGKRZSA-N 1 2 317.393 -0.071 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)Cn3cc(C)cn3)CC2=O)C1 ZINC001094706447 826263232 /nfs/dbraw/zinc/26/32/32/826263232.db2.gz CCXHLWNSWVLFLK-ZDUSSCGKSA-N 1 2 317.393 -0.221 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)Cc3cc[nH]n3)CC2=O)C1 ZINC001094717374 826268980 /nfs/dbraw/zinc/26/89/80/826268980.db2.gz IZKTWIMWYREFDR-CYBMUJFWSA-N 1 2 317.393 -0.070 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CC3OCCCO3)CC2=O)C1 ZINC001094726036 826272277 /nfs/dbraw/zinc/27/22/77/826272277.db2.gz DEJOZSSCGYWJHH-LBPRGKRZSA-N 1 2 323.393 -0.273 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3cc(=O)n(C)o3)CC2=O)C1 ZINC001094730637 826273905 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DBEDLO C=CCN1CC(N2C[C@@H](NC(=O)Cc3c[nH+]cn3C)CC2=O)C1 ZINC001094807890 826291835 /nfs/dbraw/zinc/29/18/35/826291835.db2.gz GNZAYKNNZZNUSR-LBPRGKRZSA-N 1 2 317.393 -0.450 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)c3ccnc(C)n3)CC2=O)C1 ZINC001094818089 826294767 /nfs/dbraw/zinc/29/47/67/826294767.db2.gz WXKQSJBTWSZXIV-LBPRGKRZSA-N 1 2 315.377 -0.014 20 30 DBEDLO CNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC001095281773 826315617 /nfs/dbraw/zinc/31/56/17/826315617.db2.gz FMQHTLLGYHZKPK-MDZLAQPJSA-N 1 2 301.350 -0.033 20 30 DBEDLO CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C#N)c[nH]1)C2 ZINC001095281773 826315621 /nfs/dbraw/zinc/31/56/21/826315621.db2.gz FMQHTLLGYHZKPK-MDZLAQPJSA-N 1 2 301.350 -0.033 20 30 DBEDLO CCOCC(=O)NCC[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC001096262695 826366080 /nfs/dbraw/zinc/36/60/80/826366080.db2.gz LNOIXVLTDVGMLF-UHFFFAOYSA-N 1 2 318.381 -0.377 20 30 DBEDLO CCOCC(=O)NCC[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC001096263325 826366214 /nfs/dbraw/zinc/36/62/14/826366214.db2.gz ZYWCDMDVEMUUBL-UHFFFAOYSA-N 1 2 318.381 -0.377 20 30 DBEDLO CO[C@@H](C)C(=O)NCC[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC001096270860 826367141 /nfs/dbraw/zinc/36/71/41/826367141.db2.gz LHEDMUCSVHOUIY-LBPRGKRZSA-N 1 2 318.381 -0.379 20 30 DBEDLO C#CCNC(=O)CC(=O)N[C@H]1C[C@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097015050 826406667 /nfs/dbraw/zinc/40/66/67/826406667.db2.gz PBUUJGODCFFGBP-HAQNSBGRSA-N 1 2 301.350 -0.016 20 30 DBEDLO C#CCNC(=O)CC(=O)N[C@H]1C[C@@H](Nc2cc[nH+]c(C)n2)C1 ZINC001097176637 826413395 /nfs/dbraw/zinc/41/33/95/826413395.db2.gz PBUUJGODCFFGBP-TXEJJXNPSA-N 1 2 301.350 -0.016 20 30 DBEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn([C@H]2CCN(C(C)=O)C2)nn1 ZINC001098591469 826503281 /nfs/dbraw/zinc/50/32/81/826503281.db2.gz HRLRJTDRZATZEF-RISCZKNCSA-N 1 2 320.397 -0.148 20 30 DBEDLO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cn([C@@H]2CCN(C(C)=O)C2)nn1 ZINC001098591467 826503660 /nfs/dbraw/zinc/50/36/60/826503660.db2.gz HRLRJTDRZATZEF-BXUZGUMPSA-N 1 2 320.397 -0.148 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3=COCCO3)C2)nn1 ZINC001098608188 826507240 /nfs/dbraw/zinc/50/72/40/826507240.db2.gz PJVZUJUPLUUNSJ-CYBMUJFWSA-N 1 2 317.349 -0.338 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CN(C)C(C)=O)C2)nn1 ZINC001098618619 826507670 /nfs/dbraw/zinc/50/76/70/826507670.db2.gz GLEGLLQCMKNTMV-CQSZACIVSA-N 1 2 318.381 -0.747 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnns3)C2)nn1 ZINC001098626335 826510435 /nfs/dbraw/zinc/51/04/35/826510435.db2.gz OPMHBLQBXZOKKL-NSHDSACASA-N 1 2 317.378 -0.060 20 30 DBEDLO C=CCCC(=O)N1CC[C@@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098638388 826512214 /nfs/dbraw/zinc/51/22/14/826512214.db2.gz WWSHNAUDIDJOBL-GFCCVEGCSA-N 1 2 306.370 -0.407 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3cnnn3C)C2)nn1 ZINC001098667343 826516721 /nfs/dbraw/zinc/51/67/21/826516721.db2.gz XVFLSSKIHBIWCW-GFCCVEGCSA-N 1 2 314.353 -0.783 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)Cn3nccn3)C2)nn1 ZINC001098678644 826518300 /nfs/dbraw/zinc/51/83/00/826518300.db2.gz LAFVPMVBCUGPMY-CYBMUJFWSA-N 1 2 314.353 -0.934 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)c3csnn3)C2)nn1 ZINC001098694621 826519856 /nfs/dbraw/zinc/51/98/56/826519856.db2.gz FYYKRKFIWYTEKR-LLVKDONJSA-N 1 2 317.378 -0.060 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3[C@@H]4COC[C@@H]43)C2)nn1 ZINC001098702904 826520413 /nfs/dbraw/zinc/52/04/13/826520413.db2.gz FCRHAELKMNJPQJ-KBXIAJHMSA-N 1 2 315.377 -0.333 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@@H](C)CC(N)=O)C2)nn1 ZINC001098698690 826520836 /nfs/dbraw/zinc/52/08/36/826520836.db2.gz XFFNHCRNNDFIFF-WCQYABFASA-N 1 2 318.381 -0.714 20 30 DBEDLO C=CCCCC(=O)N1CC[C@H](n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001098710271 826521708 /nfs/dbraw/zinc/52/17/08/826521708.db2.gz BQGYEYVGWWFWOP-ZDUSSCGKSA-N 1 2 320.397 -0.017 20 30 DBEDLO N#CCNCc1cn([C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)nn1 ZINC001098738791 826524293 /nfs/dbraw/zinc/52/42/93/826524293.db2.gz AXOFNTBYUNAYFY-ZDUSSCGKSA-N 1 2 314.353 -0.370 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnn(C)n3)C2)nn1 ZINC001098745709 826525443 /nfs/dbraw/zinc/52/54/43/826525443.db2.gz KZEIYRTXHRUSEZ-LBPRGKRZSA-N 1 2 314.353 -0.783 20 30 DBEDLO C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)c3cnon3)C2)nn1 ZINC001098751310 826525519 /nfs/dbraw/zinc/52/55/19/826525519.db2.gz KRYNLJAFYHRQKS-NSHDSACASA-N 1 2 301.310 -0.529 20 30 DBEDLO C[C@H](C#N)C(=O)N[C@H]1C[N@H+](CC(N)=O)CC2(CCOCC2)C1 ZINC001099574428 826571496 /nfs/dbraw/zinc/57/14/96/826571496.db2.gz FLJWNYIJIZRJAQ-VXGBXAGGSA-N 1 2 308.382 -0.381 20 30 DBEDLO C[C@H](C#N)C(=O)N[C@H]1C[N@@H+](CC(N)=O)CC2(CCOCC2)C1 ZINC001099574428 826571505 /nfs/dbraw/zinc/57/15/05/826571505.db2.gz FLJWNYIJIZRJAQ-VXGBXAGGSA-N 1 2 308.382 -0.381 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(F)F)[C@H](O)C1 ZINC001099614671 826580392 /nfs/dbraw/zinc/58/03/92/826580392.db2.gz XLALZMFJEZYYEZ-NXEZZACHSA-N 1 2 305.325 -0.505 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(F)F)[C@H](O)C1 ZINC001099614671 826580397 /nfs/dbraw/zinc/58/03/97/826580397.db2.gz XLALZMFJEZYYEZ-NXEZZACHSA-N 1 2 305.325 -0.505 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001099622603 826587443 /nfs/dbraw/zinc/58/74/43/826587443.db2.gz AQGKQTQVBFFTMJ-NWDGAFQWSA-N 1 2 305.334 -0.806 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001099622603 826587438 /nfs/dbraw/zinc/58/74/38/826587438.db2.gz AQGKQTQVBFFTMJ-NWDGAFQWSA-N 1 2 305.334 -0.806 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccco2)[C@@H](O)C1 ZINC001099622602 826587463 /nfs/dbraw/zinc/58/74/63/826587463.db2.gz AQGKQTQVBFFTMJ-NEPJUHHUSA-N 1 2 305.334 -0.806 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccco2)[C@@H](O)C1 ZINC001099622602 826587469 /nfs/dbraw/zinc/58/74/69/826587469.db2.gz AQGKQTQVBFFTMJ-NEPJUHHUSA-N 1 2 305.334 -0.806 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001099624387 826590873 /nfs/dbraw/zinc/59/08/73/826590873.db2.gz QLEGNCZTMRTISQ-NWDGAFQWSA-N 1 2 307.350 -0.253 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccco2)[C@H](O)C1 ZINC001099624387 826590876 /nfs/dbraw/zinc/59/08/76/826590876.db2.gz QLEGNCZTMRTISQ-NWDGAFQWSA-N 1 2 307.350 -0.253 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccoc2C)[C@H](O)C1 ZINC001099643820 826597673 /nfs/dbraw/zinc/59/76/73/826597673.db2.gz BGWNJARAKZHPDW-UONOGXRCSA-N 1 2 319.361 -0.498 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2C)[C@H](O)C1 ZINC001099643820 826597677 /nfs/dbraw/zinc/59/76/77/826597677.db2.gz BGWNJARAKZHPDW-UONOGXRCSA-N 1 2 319.361 -0.498 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@@H](O)C1 ZINC001099659648 826607781 /nfs/dbraw/zinc/60/77/81/826607781.db2.gz IQUPMNIXNHAJEO-OLZOCXBDSA-N 1 2 305.334 -0.806 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@@H](O)C1 ZINC001099659648 826607786 /nfs/dbraw/zinc/60/77/86/826607786.db2.gz IQUPMNIXNHAJEO-OLZOCXBDSA-N 1 2 305.334 -0.806 20 30 DBEDLO Cc1ccoc1C(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099662717 826608680 /nfs/dbraw/zinc/60/86/80/826608680.db2.gz CNNRXPDRUCPEJQ-NEPJUHHUSA-N 1 2 320.349 -0.607 20 30 DBEDLO Cc1ccoc1C(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099662717 826608682 /nfs/dbraw/zinc/60/86/82/826608682.db2.gz CNNRXPDRUCPEJQ-NEPJUHHUSA-N 1 2 320.349 -0.607 20 30 DBEDLO CC(C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099663796 826609106 /nfs/dbraw/zinc/60/91/06/826609106.db2.gz SQASBDUKBPZNHM-OLZOCXBDSA-N 1 2 310.398 -0.386 20 30 DBEDLO CC(C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)C[C@@H]1O ZINC001099663796 826609110 /nfs/dbraw/zinc/60/91/10/826609110.db2.gz SQASBDUKBPZNHM-OLZOCXBDSA-N 1 2 310.398 -0.386 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2occc2C)[C@H](O)C1 ZINC001099662977 826609763 /nfs/dbraw/zinc/60/97/63/826609763.db2.gz HKEIMHQULDAEAR-CHWSQXEVSA-N 1 2 319.361 -0.498 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C)[C@H](O)C1 ZINC001099662977 826609766 /nfs/dbraw/zinc/60/97/66/826609766.db2.gz HKEIMHQULDAEAR-CHWSQXEVSA-N 1 2 319.361 -0.498 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)no2)[C@@H](O)C1 ZINC001099668063 826610526 /nfs/dbraw/zinc/61/05/26/826610526.db2.gz AYGREALFWUYDHP-NEPJUHHUSA-N 1 2 322.365 -0.550 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)no2)[C@@H](O)C1 ZINC001099668063 826610528 /nfs/dbraw/zinc/61/05/28/826610528.db2.gz AYGREALFWUYDHP-NEPJUHHUSA-N 1 2 322.365 -0.550 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@@H](O)C1 ZINC001099669086 826611866 /nfs/dbraw/zinc/61/18/66/826611866.db2.gz MOZKKYDXYJCRLZ-OLZOCXBDSA-N 1 2 307.350 -0.253 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@@H](O)C1 ZINC001099669086 826611870 /nfs/dbraw/zinc/61/18/70/826611870.db2.gz MOZKKYDXYJCRLZ-OLZOCXBDSA-N 1 2 307.350 -0.253 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001099669639 826612194 /nfs/dbraw/zinc/61/21/94/826612194.db2.gz VNMHLZJSEAWVIM-OCCSQVGLSA-N 1 2 320.393 -0.508 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2cccn2C)[C@@H](O)C1 ZINC001099669639 826612199 /nfs/dbraw/zinc/61/21/99/826612199.db2.gz VNMHLZJSEAWVIM-OCCSQVGLSA-N 1 2 320.393 -0.508 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@H](O)C1 ZINC001099669085 826612371 /nfs/dbraw/zinc/61/23/71/826612371.db2.gz MOZKKYDXYJCRLZ-CHWSQXEVSA-N 1 2 307.350 -0.253 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2)[C@H](O)C1 ZINC001099669085 826612374 /nfs/dbraw/zinc/61/23/74/826612374.db2.gz MOZKKYDXYJCRLZ-CHWSQXEVSA-N 1 2 307.350 -0.253 20 30 DBEDLO Cn1ccc(C[N@@H+]2CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C2)n1 ZINC001099690224 826619883 /nfs/dbraw/zinc/61/98/83/826619883.db2.gz LSCROUUICZQADY-OLZOCXBDSA-N 1 2 323.422 -0.272 20 30 DBEDLO Cn1ccc(C[N@H+]2CC[C@@H](NC(=O)CSCC#N)[C@@H](O)C2)n1 ZINC001099690224 826619889 /nfs/dbraw/zinc/61/98/89/826619889.db2.gz LSCROUUICZQADY-OLZOCXBDSA-N 1 2 323.422 -0.272 20 30 DBEDLO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CNC(=O)OC)[C@H](O)C1 ZINC001099696483 826621639 /nfs/dbraw/zinc/62/16/39/826621639.db2.gz ZANUMJOQPUOZTF-VHSXEESVSA-N 1 2 305.762 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-0.451 20 30 DBEDLO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CS(=O)(=O)CC)[C@@H](O)C1 ZINC001100129410 826878564 /nfs/dbraw/zinc/87/85/64/826878564.db2.gz MBXFPXIXIYRVJR-RYUDHWBXSA-N 1 2 304.412 -0.451 20 30 DBEDLO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@H](O)C1 ZINC001100137374 826888823 /nfs/dbraw/zinc/88/88/23/826888823.db2.gz YNOHLDXQKXPZGG-VXGBXAGGSA-N 1 2 318.439 -0.205 20 30 DBEDLO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CS(C)(=O)=O)[C@H](O)C1 ZINC001100137374 826888836 /nfs/dbraw/zinc/88/88/36/826888836.db2.gz YNOHLDXQKXPZGG-VXGBXAGGSA-N 1 2 318.439 -0.205 20 30 DBEDLO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100143192 826897629 /nfs/dbraw/zinc/89/76/29/826897629.db2.gz PIVZMSFQFZAVCL-GHMZBOCLSA-N 1 2 303.790 -0.054 20 30 DBEDLO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCC(N)=O)[C@H](O)C1 ZINC001100143192 826897642 /nfs/dbraw/zinc/89/76/42/826897642.db2.gz PIVZMSFQFZAVCL-GHMZBOCLSA-N 1 2 303.790 -0.054 20 30 DBEDLO C#CC[NH2+]C1CC(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1 ZINC001100766251 827019449 /nfs/dbraw/zinc/01/94/49/827019449.db2.gz ZDUVQENTLFTYLX-UHFFFAOYSA-N 1 2 314.349 -0.811 20 30 DBEDLO C=CC[NH+]1CC2(C1)C[C@@H](NC(=O)CNC(N)=O)c1nccn12 ZINC001101607784 827121967 /nfs/dbraw/zinc/12/19/67/827121967.db2.gz YEZBUNDUKYACSI-SNVBAGLBSA-N 1 2 304.354 -0.691 20 30 DBEDLO C#CCOCCC(=O)NC[C@@H]1C[N@@H+](Cc2nnnn2C)C[C@H]1C ZINC001101961925 827171994 /nfs/dbraw/zinc/17/19/94/827171994.db2.gz NLWZPKZXEZWNCP-CHWSQXEVSA-N 1 2 320.397 -0.566 20 30 DBEDLO C#CCOCCC(=O)NC[C@@H]1C[N@H+](Cc2nnnn2C)C[C@H]1C ZINC001101961925 827171998 /nfs/dbraw/zinc/17/19/98/827171998.db2.gz NLWZPKZXEZWNCP-CHWSQXEVSA-N 1 2 320.397 -0.566 20 30 DBEDLO COCC#CC(=O)N1C[C@@H](C(=O)N(C)C)[C@H](c2cn(C)c[nH+]2)C1 ZINC001275420841 833177823 /nfs/dbraw/zinc/17/78/23/833177823.db2.gz SFQIZYPJIDFAOC-CHWSQXEVSA-N 1 2 318.377 -0.300 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)c1ncccc1O ZINC001275544438 833188939 /nfs/dbraw/zinc/18/89/39/833188939.db2.gz NAFGYMLIXXPNME-LLVKDONJSA-N 1 2 304.350 -0.413 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)c1ncccc1O ZINC001275544438 833188944 /nfs/dbraw/zinc/18/89/44/833188944.db2.gz NAFGYMLIXXPNME-LLVKDONJSA-N 1 2 304.350 -0.413 20 30 DBEDLO COCC#CC[NH2+]Cc1cn(C2CN(C(=O)CSC)C2)nn1 ZINC001105144634 827387563 /nfs/dbraw/zinc/38/75/63/827387563.db2.gz HWHDNDKYESPGJB-UHFFFAOYSA-N 1 2 323.422 -0.236 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc(C)cn3)C2)nn1 ZINC001105142970 827387806 /nfs/dbraw/zinc/38/78/06/827387806.db2.gz ZTOQFEVPFHCTPD-UHFFFAOYSA-N 1 2 311.349 -0.204 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCO3)C2)nn1 ZINC001105147556 827389406 /nfs/dbraw/zinc/38/94/06/827389406.db2.gz ZPOUDOCTOQTCIH-CQSZACIVSA-N 1 2 303.366 -0.047 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnns3)C2)nn1 ZINC001105173978 827395315 /nfs/dbraw/zinc/39/53/15/827395315.db2.gz BXDAASXTYXOEHO-UHFFFAOYSA-N 1 2 303.351 -0.451 20 30 DBEDLO C=CCCC(=O)N1CC(n2cc(C[NH2+]CC(=O)NCC)nn2)C1 ZINC001105185661 827399549 /nfs/dbraw/zinc/39/95/49/827399549.db2.gz PEIKUSPNQAKMCM-UHFFFAOYSA-N 1 2 320.397 -0.147 20 30 DBEDLO CNC(=O)[C@@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@H](C)C#N)C2)nn1 ZINC001105189651 827401024 /nfs/dbraw/zinc/40/10/24/827401024.db2.gz JEWHQXTYMBUTHC-NXEZZACHSA-N 1 2 319.369 -0.955 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnn(CC)c3)C2)nn1 ZINC001105194698 827401884 /nfs/dbraw/zinc/40/18/84/827401884.db2.gz DSXCWBDPQPCTCZ-UHFFFAOYSA-N 1 2 313.365 -0.086 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cccc(=O)[nH]3)C2)nn1 ZINC001105202101 827404958 /nfs/dbraw/zinc/40/49/58/827404958.db2.gz CTMQIOBMNDMCJG-UHFFFAOYSA-N 1 2 312.333 -0.201 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3ccnn3C)C2)nn1 ZINC001105223960 827409648 /nfs/dbraw/zinc/40/96/48/827409648.db2.gz QDAMKYUWLLMLAD-UHFFFAOYSA-N 1 2 313.365 -0.640 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C[C@@](C)(O)C=C)C2)nn1 ZINC001105227476 827410941 /nfs/dbraw/zinc/41/09/41/827410941.db2.gz LYBFGHORPGWHIK-HNNXBMFYSA-N 1 2 303.366 -0.289 20 30 DBEDLO C#CCOCCC(=O)N1CC(n2cc(C[NH2+]CCF)nn2)C1 ZINC001105240159 827413208 /nfs/dbraw/zinc/41/32/08/827413208.db2.gz ARKQOIDUHXLVLI-UHFFFAOYSA-N 1 2 309.345 -0.240 20 30 DBEDLO C=C(C)CCC(=O)N1CC(n2cc(C[NH2+]CC(N)=O)nn2)C1 ZINC001105252072 827414739 /nfs/dbraw/zinc/41/47/39/827414739.db2.gz FNWCZHYPORGYKF-UHFFFAOYSA-N 1 2 306.370 -0.407 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)C3(F)CCOCC3)C2)nn1 ZINC001105253823 827414878 /nfs/dbraw/zinc/41/48/78/827414878.db2.gz GMCGPAGKUFWDPN-UHFFFAOYSA-N 1 2 321.356 -0.097 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3cnc[nH]c3=O)C2)nn1 ZINC001105266562 827416786 /nfs/dbraw/zinc/41/67/86/827416786.db2.gz YTAKPJTUMDRZLK-UHFFFAOYSA-N 1 2 313.321 -0.806 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H](C)CO3)C2)nn1 ZINC001105285994 827420701 /nfs/dbraw/zinc/42/07/01/827420701.db2.gz ZYTJEDJWWVDXEM-RISCZKNCSA-N 1 2 303.366 -0.191 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@]3(F)CCOC3)C2)nn1 ZINC001105312204 827424093 /nfs/dbraw/zinc/42/40/93/827424093.db2.gz FRFDQVFQNUVOJK-HNNXBMFYSA-N 1 2 321.356 -0.097 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3cnoc3)C2)nn1 ZINC001105310123 827424379 /nfs/dbraw/zinc/42/43/79/827424379.db2.gz PTQAKVVXODLHKZ-UHFFFAOYSA-N 1 2 300.322 -0.385 20 30 DBEDLO C=C1CC(C)(C(=O)N2CC(n3cc(C[NH2+]CC(N)=O)nn3)C2)C1 ZINC001105324100 827427383 /nfs/dbraw/zinc/42/73/83/827427383.db2.gz RPYVGQWAALLCPM-UHFFFAOYSA-N 1 2 318.381 -0.407 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)Cn3nccc3C)C2)nn1 ZINC001105334425 827430422 /nfs/dbraw/zinc/43/04/22/827430422.db2.gz GYQGCZSBYRYUBB-UHFFFAOYSA-N 1 2 313.365 -0.411 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCO[C@@H]3C)C2)nn1 ZINC001105349413 827436020 /nfs/dbraw/zinc/43/60/20/827436020.db2.gz IXADGPCAHKZUAO-RISCZKNCSA-N 1 2 303.366 -0.191 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCO[C@H]3C)C2)nn1 ZINC001105349415 827436231 /nfs/dbraw/zinc/43/62/31/827436231.db2.gz IXADGPCAHKZUAO-SMDDNHRTSA-N 1 2 303.366 -0.191 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nocc3C)C2)nn1 ZINC001105356373 827437540 /nfs/dbraw/zinc/43/75/40/827437540.db2.gz MQLJXCWRPXOUEV-UHFFFAOYSA-N 1 2 300.322 -0.006 20 30 DBEDLO CC#CC[NH2+]Cc1cn(C2CN(C(=O)Cc3nnc[nH]3)C2)nn1 ZINC001105359872 827438554 /nfs/dbraw/zinc/43/85/54/827438554.db2.gz ZBSJANYUQZNPOX-UHFFFAOYSA-N 1 2 314.353 -0.865 20 30 DBEDLO C#CC[NH2+]Cc1cn(C2CN(C(=O)c3nonc3C)C2)nn1 ZINC001105382215 827444585 /nfs/dbraw/zinc/44/45/85/827444585.db2.gz BLSSPXHGEADKFU-UHFFFAOYSA-N 1 2 301.310 -0.611 20 30 DBEDLO C=C[C@](C)(O)CC(=O)N1CCC(OC2C[NH+](CCO)C2)CC1 ZINC001105703907 827464782 /nfs/dbraw/zinc/46/47/82/827464782.db2.gz KOYUPPVPTKXCTE-INIZCTEOSA-N 1 2 312.410 -0.002 20 30 DBEDLO C[C@H](C#N)C(=O)NC[C@H](O)CNc1[nH+]cnc2c1cnn2C ZINC001105774841 827498888 /nfs/dbraw/zinc/49/88/88/827498888.db2.gz WHKCHLBFKRLEDV-RKDXNWHRSA-N 1 2 303.326 -0.588 20 30 DBEDLO C#CCCCC(=O)NC[C@@H](O)CNc1nc(N(C)C)nc(C)[nH+]1 ZINC001105798615 827509713 /nfs/dbraw/zinc/50/97/13/827509713.db2.gz HNUNNLPVJNAQBF-GFCCVEGCSA-N 1 2 320.397 -0.061 20 30 DBEDLO N#Cc1cncc(NC[C@H](O)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001105881812 827542753 /nfs/dbraw/zinc/54/27/53/827542753.db2.gz AEZKXTISCPRUFO-NSHDSACASA-N 1 2 301.310 -0.866 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H](O)CNc1ncccc1C#N ZINC001105914556 827553563 /nfs/dbraw/zinc/55/35/63/827553563.db2.gz XSQLMNLLWDYZIW-CYBMUJFWSA-N 1 2 314.349 -0.182 20 30 DBEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)Cc2[nH]cc[nH+]2)cn1 ZINC001105938495 827563730 /nfs/dbraw/zinc/56/37/30/827563730.db2.gz XQWILLCNQBNIAY-SNVBAGLBSA-N 1 2 301.310 -0.797 20 30 DBEDLO COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001275874952 833217019 /nfs/dbraw/zinc/21/70/19/833217019.db2.gz VDEKYWNODIKRKQ-STQMWFEESA-N 1 2 316.423 -0.493 20 30 DBEDLO COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001275874952 833217021 /nfs/dbraw/zinc/21/70/21/833217021.db2.gz VDEKYWNODIKRKQ-STQMWFEESA-N 1 2 316.423 -0.493 20 30 DBEDLO N#Cc1cnc(NC[C@@H](O)CNC(=O)CCn2cc[nH+]c2)cn1 ZINC001106039583 827595499 /nfs/dbraw/zinc/59/54/99/827595499.db2.gz RPCQXEJXQCYKNT-GFCCVEGCSA-N 1 2 315.337 -0.476 20 30 DBEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)CCc2c[nH]c[nH+]2)nn1 ZINC001106150454 827633564 /nfs/dbraw/zinc/63/35/64/827633564.db2.gz URBUOBBHAMAMSO-GFCCVEGCSA-N 1 2 315.337 -0.407 20 30 DBEDLO N#Cc1ccc(NC[C@@H](O)CNC(=O)CCc2c[nH+]c[nH]2)nn1 ZINC001106150454 827633569 /nfs/dbraw/zinc/63/35/69/827633569.db2.gz URBUOBBHAMAMSO-GFCCVEGCSA-N 1 2 315.337 -0.407 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)[C@H](C)NC(C)=O)nn2)C1 ZINC001107119946 827705067 /nfs/dbraw/zinc/70/50/67/827705067.db2.gz PMOWCBSTGGNJTF-JTQLQIEISA-N 1 2 306.370 -0.538 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CN(C)C(C)=O)nn2)C1 ZINC001107129637 827707178 /nfs/dbraw/zinc/70/71/78/827707178.db2.gz IJLHHMJZMIDWEN-UHFFFAOYSA-N 1 2 306.370 -0.585 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)CCC(=O)NCC)nn2)C1 ZINC001107144233 827711549 /nfs/dbraw/zinc/71/15/49/827711549.db2.gz IICKBYJMHYEAPT-UHFFFAOYSA-N 1 2 320.397 -0.147 20 30 DBEDLO C#CCNC(=O)CC(=O)NCc1cn(C2C[NH+](CC=C)C2)nn1 ZINC001107161105 827716059 /nfs/dbraw/zinc/71/60/59/827716059.db2.gz YDLKUBMTXCBUCA-UHFFFAOYSA-N 1 2 316.365 -0.924 20 30 DBEDLO N#CCN1CC(n2cc(CNC(=O)CCc3[nH]cc[nH+]3)nn2)C1 ZINC001107164245 827716794 /nfs/dbraw/zinc/71/67/94/827716794.db2.gz XGVFUXDDKTYWPR-UHFFFAOYSA-N 1 2 314.353 -0.370 20 30 DBEDLO C=CC[NH+]1CC(n2cc(CNC(=O)Cc3ccnn3C)nn2)C1 ZINC001107164486 827717488 /nfs/dbraw/zinc/71/74/88/827717488.db2.gz CRDOQZOFTXNIDA-UHFFFAOYSA-N 1 2 315.381 -0.087 20 30 DBEDLO C#CCO[C@@H](C)C(=O)NCc1cn(C2C[NH+](CCOC)C2)nn1 ZINC001107169436 827719193 /nfs/dbraw/zinc/71/91/93/827719193.db2.gz HVIYICAZEGNXGP-LBPRGKRZSA-N 1 2 321.381 -0.564 20 30 DBEDLO CC(C)(C)C#CC(=O)NCc1cn(C2C[NH+](CCO)C2)nn1 ZINC001107171409 827720016 /nfs/dbraw/zinc/72/00/16/827720016.db2.gz XJFXZMRASLSIOJ-UHFFFAOYSA-N 1 2 305.382 -0.207 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)C(C)(C)C(N)=O)nn2)C1 ZINC001107180211 827722067 /nfs/dbraw/zinc/72/20/67/827722067.db2.gz HFMVPUXTKYBLOT-UHFFFAOYSA-N 1 2 318.381 -0.714 20 30 DBEDLO C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H](C)CC(N)=O)nn2)C1 ZINC001107190881 827724079 /nfs/dbraw/zinc/72/40/79/827724079.db2.gz GGNUJWLRUKOZFI-NSHDSACASA-N 1 2 318.381 -0.714 20 30 DBEDLO C=C(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H](COC)OC)nn2)C1 ZINC001107208088 827728135 /nfs/dbraw/zinc/72/81/35/827728135.db2.gz PPUARCCPEFDTKL-CQSZACIVSA-N 1 2 323.397 -0.012 20 30 DBEDLO C=CCO[C@H](C)C(=O)NCc1cn(C2C[NH+](CCOC)C2)nn1 ZINC001107241250 827734949 /nfs/dbraw/zinc/73/49/49/827734949.db2.gz PLZDRASWFSTNPF-GFCCVEGCSA-N 1 2 323.397 -0.012 20 30 DBEDLO C#CCC[NH+]1CC(CCO)(NC(=O)c2nc(C)c(C)[nH]c2=O)C1 ZINC001276057185 833240715 /nfs/dbraw/zinc/24/07/15/833240715.db2.gz WMZYNVVSTXYVBQ-UHFFFAOYSA-N 1 2 318.377 -0.423 20 30 DBEDLO C=C(C)C[NH+]1CC(CCO)(NC(=O)Cn2nnnc2C(C)C)C1 ZINC001276087959 833243713 /nfs/dbraw/zinc/24/37/13/833243713.db2.gz ADQXIEYNXOHZQF-UHFFFAOYSA-N 1 2 322.413 -0.074 20 30 DBEDLO C#Cc1ccc(C(=O)NC2(CCO)C[NH+](C[C@H](C)O)C2)nc1 ZINC001276101155 833245043 /nfs/dbraw/zinc/24/50/43/833245043.db2.gz NUWQYJNOXWDEKV-LBPRGKRZSA-N 1 2 303.362 -0.390 20 30 DBEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)C[N@H+](CCN2CCNC2=O)CCO1 ZINC001107820795 827804344 /nfs/dbraw/zinc/80/43/44/827804344.db2.gz DBAGBGZXPDMHLY-DOMZBBRYSA-N 1 2 323.397 -0.622 20 30 DBEDLO C[C@H](C#N)C(=O)NC[C@@]1(C)C[N@@H+](CCN2CCNC2=O)CCO1 ZINC001107820795 827804352 /nfs/dbraw/zinc/80/43/52/827804352.db2.gz DBAGBGZXPDMHLY-DOMZBBRYSA-N 1 2 323.397 -0.622 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)CN2CCOCC2)C1 ZINC001107879129 827821704 /nfs/dbraw/zinc/82/17/04/827821704.db2.gz RHKMAPANSNHTGG-INIZCTEOSA-N 1 2 309.410 -0.451 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)CN2CCOCC2)C1 ZINC001107879129 827821711 /nfs/dbraw/zinc/82/17/11/827821711.db2.gz RHKMAPANSNHTGG-INIZCTEOSA-N 1 2 309.410 -0.451 20 30 DBEDLO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 ZINC001108002022 827865533 /nfs/dbraw/zinc/86/55/33/827865533.db2.gz TVOKLVOLVBIMBC-HOCLYGCPSA-N 1 2 304.394 -0.185 20 30 DBEDLO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CN(CC#N)CCO1 ZINC001108002022 827865538 /nfs/dbraw/zinc/86/55/38/827865538.db2.gz TVOKLVOLVBIMBC-HOCLYGCPSA-N 1 2 304.394 -0.185 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001108043161 827877777 /nfs/dbraw/zinc/87/77/77/827877777.db2.gz FFWKBPKTIOGMJG-CJNGLKHVSA-N 1 2 307.394 -0.257 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC001108043161 827877788 /nfs/dbraw/zinc/87/77/88/827877788.db2.gz FFWKBPKTIOGMJG-CJNGLKHVSA-N 1 2 307.394 -0.257 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001108043163 827878162 /nfs/dbraw/zinc/87/81/62/827878162.db2.gz FFWKBPKTIOGMJG-XJKSGUPXSA-N 1 2 307.394 -0.257 20 30 DBEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CCC(=O)NC2)C1 ZINC001108043163 827878174 /nfs/dbraw/zinc/87/81/74/827878174.db2.gz FFWKBPKTIOGMJG-XJKSGUPXSA-N 1 2 307.394 -0.257 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)cn2)C1 ZINC001108085318 827889455 /nfs/dbraw/zinc/88/94/55/827889455.db2.gz WWWJADBKAANUJC-HNNXBMFYSA-N 1 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/nfs/dbraw/zinc/94/94/33/827949433.db2.gz WJUUJXGWVSXFJP-HNNXBMFYSA-N 1 2 324.381 -0.679 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CN2CCC(=O)NC2=O)C1 ZINC001108329824 827949437 /nfs/dbraw/zinc/94/94/37/827949437.db2.gz WJUUJXGWVSXFJP-HNNXBMFYSA-N 1 2 324.381 -0.679 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001108382924 827961583 /nfs/dbraw/zinc/96/15/83/827961583.db2.gz QWTMVPUTMFHAKY-INIZCTEOSA-N 1 2 318.377 -0.376 20 30 DBEDLO CC#CC[N@H+]1CCO[C@@](C)(CNC(=O)c2ccc(=O)n(C)n2)C1 ZINC001108382924 827961591 /nfs/dbraw/zinc/96/15/91/827961591.db2.gz QWTMVPUTMFHAKY-INIZCTEOSA-N 1 2 318.377 -0.376 20 30 DBEDLO C=CC[N@H+]1CCO[C@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001108386519 827962644 /nfs/dbraw/zinc/96/26/44/827962644.db2.gz FPDHKQBKHRDMFV-OAHLLOKOSA-N 1 2 309.366 -0.472 20 30 DBEDLO C=CC[N@@H+]1CCO[C@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001108386519 827962642 /nfs/dbraw/zinc/96/26/42/827962642.db2.gz FPDHKQBKHRDMFV-OAHLLOKOSA-N 1 2 309.366 -0.472 20 30 DBEDLO CC#CC[N@@H+]1CCO[C@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001108386377 827962856 /nfs/dbraw/zinc/96/28/56/827962856.db2.gz DCTJUQGCTNXEGX-MRXNPFEDSA-N 1 2 321.377 -0.634 20 30 DBEDLO CC#CC[N@H+]1CCO[C@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001108386377 827962861 /nfs/dbraw/zinc/96/28/61/827962861.db2.gz DCTJUQGCTNXEGX-MRXNPFEDSA-N 1 2 321.377 -0.634 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001108386518 827962868 /nfs/dbraw/zinc/96/28/68/827962868.db2.gz FPDHKQBKHRDMFV-HNNXBMFYSA-N 1 2 309.366 -0.472 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)CN2C(=O)CCC2=O)C1 ZINC001108386518 827962872 /nfs/dbraw/zinc/96/28/72/827962872.db2.gz FPDHKQBKHRDMFV-HNNXBMFYSA-N 1 2 309.366 -0.472 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2nccnc2C(N)=O)C1 ZINC001108388189 827964301 /nfs/dbraw/zinc/96/43/01/827964301.db2.gz YBGHJNNSDJTOOV-HNNXBMFYSA-N 1 2 319.365 -0.418 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2nccnc2C(N)=O)C1 ZINC001108388189 827964311 /nfs/dbraw/zinc/96/43/11/827964311.db2.gz YBGHJNNSDJTOOV-HNNXBMFYSA-N 1 2 319.365 -0.418 20 30 DBEDLO C=CC[N@@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001108394801 827965024 /nfs/dbraw/zinc/96/50/24/827965024.db2.gz KATXRLYATAFYBD-HNNXBMFYSA-N 1 2 322.365 -0.507 20 30 DBEDLO C=CC[N@H+]1CCO[C@@](C)(CNC(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001108394801 827965031 /nfs/dbraw/zinc/96/50/31/827965031.db2.gz KATXRLYATAFYBD-HNNXBMFYSA-N 1 2 322.365 -0.507 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)CNC(C)=O)CC2=O)C1 ZINC001108496968 827985663 /nfs/dbraw/zinc/98/56/63/827985663.db2.gz XSYQJCJMUVHUOF-LBPRGKRZSA-N 1 2 308.382 -0.900 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)[C@H](C)NC(C)=O)CC2=O)C1 ZINC001108500790 827988028 /nfs/dbraw/zinc/98/80/28/827988028.db2.gz ZVUQGGMUUDVOLU-AAEUAGOBSA-N 1 2 322.409 -0.512 20 30 DBEDLO CC(C)OCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H](C)C#N)CC2=O)C1 ZINC001108527834 827998131 /nfs/dbraw/zinc/99/81/31/827998131.db2.gz PJIFJTSAZBCLKJ-QWHCGFSZSA-N 1 2 322.409 -0.028 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCn3ccnn3)CC2=O)C1 ZINC001108536491 828000434 /nfs/dbraw/zinc/00/04/34/828000434.db2.gz FUDNENNRUOFRTP-GFCCVEGCSA-N 1 2 318.381 -0.745 20 30 DBEDLO C#CCN1CC(N2C[C@H](NC(=O)CCc3[nH]cc[nH+]3)CC2=O)C1 ZINC001108538798 828001803 /nfs/dbraw/zinc/00/18/03/828001803.db2.gz OHTVDUHZIXFNOO-GFCCVEGCSA-N 1 2 315.377 -0.623 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@H](NC(=O)CCCC(=O)NC)CC2=O)C1 ZINC001108538162 828002349 /nfs/dbraw/zinc/00/23/49/828002349.db2.gz COQJFWPHHKYDEF-GFCCVEGCSA-N 1 2 322.409 -0.510 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)CO[C@@H]3CCOC3)CC2=O)C1 ZINC001108545455 828005468 /nfs/dbraw/zinc/00/54/68/828005468.db2.gz WGJPZLNERLYKBR-GXTWGEPZSA-N 1 2 323.393 -0.621 20 30 DBEDLO C#CCC1(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CCO)C3)C2)CCC1 ZINC001108552353 828008501 /nfs/dbraw/zinc/00/85/01/828008501.db2.gz JYNWIMCPRGPHAS-CYBMUJFWSA-N 1 2 319.405 -0.426 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)[C@H](C)CC(N)=O)CC2=O)C1 ZINC001108561033 828013303 /nfs/dbraw/zinc/01/33/03/828013303.db2.gz QIRPWHZEQUEFTD-VXGBXAGGSA-N 1 2 322.409 -0.525 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@H](NC(=O)C3(C(N)=O)CC3)CC2=O)C1 ZINC001108568238 828016902 /nfs/dbraw/zinc/01/69/02/828016902.db2.gz NVFYJAOBUCRMAW-LLVKDONJSA-N 1 2 320.393 -0.771 20 30 DBEDLO C=C(C)C[NH+]1CC(N2C[C@@H](NC(=O)C3(C(N)=O)CC3)CC2=O)C1 ZINC001108568239 828017891 /nfs/dbraw/zinc/01/78/91/828017891.db2.gz NVFYJAOBUCRMAW-NSHDSACASA-N 1 2 320.393 -0.771 20 30 DBEDLO C=CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H](COC)OC)CC2=O)C1 ZINC001108569512 828018355 /nfs/dbraw/zinc/01/83/55/828018355.db2.gz KCNILQFGIKTSGB-AAEUAGOBSA-N 1 2 311.382 -0.765 20 30 DBEDLO COCC#CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1ncn[nH]1)C2 ZINC001108793981 828048543 /nfs/dbraw/zinc/04/85/43/828048543.db2.gz KVADJRJVDKNVRI-IHRRRGAJSA-N 1 2 317.393 -0.034 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnccn1)C2 ZINC001108873293 828059001 /nfs/dbraw/zinc/05/90/01/828059001.db2.gz IYSHUSFJQFLHRL-DYEKYZERSA-N 1 2 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303.326 -0.588 20 30 DBEDLO C#C[C@H](C)N(C)c1nnc(C[NH+]2CCC(C(N)=O)CC2)n1C ZINC001121267675 829456623 /nfs/dbraw/zinc/45/66/23/829456623.db2.gz FYQAKNSFJONPOA-NSHDSACASA-N 1 2 304.398 -0.030 20 30 DBEDLO C#CC[NH+]1CCN(c2nnc([C@H]3COCCN3C)n2C)CC1 ZINC001121517812 829490900 /nfs/dbraw/zinc/49/09/00/829490900.db2.gz ADYQQQZXGSCIPB-CYBMUJFWSA-N 1 2 304.398 -0.427 20 30 DBEDLO Cc1cc(N[C@H](CO)CNC(=O)Cn2cc[nH+]c2)c(C#N)cn1 ZINC001121718605 829505540 /nfs/dbraw/zinc/50/55/40/829505540.db2.gz OQDVWUKSPGIOGN-ZDUSSCGKSA-N 1 2 314.349 -0.531 20 30 DBEDLO N#Cc1cccnc1N[C@@H](CO)CNC(=O)Cn1cc[nH+]c1 ZINC001121718042 829505737 /nfs/dbraw/zinc/50/57/37/829505737.db2.gz LPCWOLSXBWJSMU-GFCCVEGCSA-N 1 2 300.322 -0.261 20 30 DBEDLO Cc1cc(C#N)nc(N[C@@H](CO)CNC(=O)Cn2cc[nH+]c2)n1 ZINC001121718598 829505919 /nfs/dbraw/zinc/50/59/19/829505919.db2.gz OPNCOHKGQLOMNN-GFCCVEGCSA-N 1 2 315.337 -0.558 20 30 DBEDLO N#Cc1cnc(N[C@@H](CO)CNC(=O)Cn2cc[nH+]c2)c(F)c1 ZINC001121718897 829506605 /nfs/dbraw/zinc/50/66/05/829506605.db2.gz SBZFFYZFNKIKMU-LLVKDONJSA-N 1 2 318.312 -0.122 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@H](CO)Nc1cncc(C#N)n1 ZINC001121801984 829513044 /nfs/dbraw/zinc/51/30/44/829513044.db2.gz YIUSSEKHRDAEJA-LLVKDONJSA-N 1 2 315.337 -0.787 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@H](CO)Nc1ccncc1C#N ZINC001121798926 829513235 /nfs/dbraw/zinc/51/32/35/829513235.db2.gz BEHVNAFSTGYFIF-GFCCVEGCSA-N 1 2 314.349 -0.760 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NC[C@@H](CO)Nc1ccncc1C#N ZINC001121798928 829513428 /nfs/dbraw/zinc/51/34/28/829513428.db2.gz BEHVNAFSTGYFIF-LBPRGKRZSA-N 1 2 314.349 -0.760 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001276359418 833421300 /nfs/dbraw/zinc/42/13/00/833421300.db2.gz HKMHEMKPOCKPOM-NSHDSACASA-N 1 2 313.361 -0.314 20 30 DBEDLO COCCCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)C#N)C1 ZINC001276362401 833421393 /nfs/dbraw/zinc/42/13/93/833421393.db2.gz XFNKOJXSBHDURD-RYUDHWBXSA-N 1 2 310.398 -0.265 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)c2cnnc(C)c2)C1 ZINC001276369288 833422456 /nfs/dbraw/zinc/42/24/56/833422456.db2.gz PCCVAQRZINVDPG-LBPRGKRZSA-N 1 2 315.377 -0.415 20 30 DBEDLO C#CCNC(=O)C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCCO2)C1 ZINC001276369240 833422586 /nfs/dbraw/zinc/42/25/86/833422586.db2.gz ONDKWFCWMRGERF-OCCSQVGLSA-N 1 2 307.394 -0.259 20 30 DBEDLO N#Cc1cnccc1N[C@H](CO)CNC(=O)Cc1c[nH]c[nH+]1 ZINC001122620292 829603197 /nfs/dbraw/zinc/60/31/97/829603197.db2.gz DFEGVHWRFGWAQI-LBPRGKRZSA-N 1 2 300.322 -0.770 20 30 DBEDLO N#Cc1cnc(N[C@@H](CO)CNC(=O)Cc2c[nH]c[nH+]2)c(F)c1 ZINC001122623742 829604789 /nfs/dbraw/zinc/60/47/89/829604789.db2.gz VMRLGLKDNKCHDW-LLVKDONJSA-N 1 2 318.312 -0.053 20 30 DBEDLO CCc1nc[nH]c1C(=O)N[C@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001276454188 833429825 /nfs/dbraw/zinc/42/98/25/833429825.db2.gz SXFNBVZEQCEEQH-SNVBAGLBSA-N 1 2 318.381 -0.338 20 30 DBEDLO C=CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)Cn2cncn2)C1 ZINC001276460752 833430425 /nfs/dbraw/zinc/43/04/25/833430425.db2.gz QBLZYBBJXNAVNT-NSHDSACASA-N 1 2 306.370 -0.983 20 30 DBEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)OC)C[C@H]21 ZINC001176938886 833438542 /nfs/dbraw/zinc/43/85/42/833438542.db2.gz ZLGLTVCLCOSVIW-OLZOCXBDSA-N 1 2 309.366 -0.333 20 30 DBEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)CNC(=O)OC)C[C@H]21 ZINC001176938886 833438547 /nfs/dbraw/zinc/43/85/47/833438547.db2.gz ZLGLTVCLCOSVIW-OLZOCXBDSA-N 1 2 309.366 -0.333 20 30 DBEDLO CO[C@H](C(=O)N[C@H]1C[N@H+](CC(=O)NCC#N)CC1(C)C)C1CC1 ZINC001276580316 833441111 /nfs/dbraw/zinc/44/11/11/833441111.db2.gz RYZUUVDHINOKRH-JSGCOSHPSA-N 1 2 322.409 -0.122 20 30 DBEDLO CO[C@H](C(=O)N[C@H]1C[N@@H+](CC(=O)NCC#N)CC1(C)C)C1CC1 ZINC001276580316 833441114 /nfs/dbraw/zinc/44/11/14/833441114.db2.gz RYZUUVDHINOKRH-JSGCOSHPSA-N 1 2 322.409 -0.122 20 30 DBEDLO C#CCC[N@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)CC)C[C@H]21 ZINC001176961946 833441846 /nfs/dbraw/zinc/44/18/46/833441846.db2.gz CVKHFZZXGGWJBJ-ZIAGYGMSSA-N 1 2 307.394 -0.162 20 30 DBEDLO C#CCC[N@@H+]1CCO[C@@H]2CCN(C(=O)CNC(=O)CC)C[C@H]21 ZINC001176961946 833441849 /nfs/dbraw/zinc/44/18/49/833441849.db2.gz CVKHFZZXGGWJBJ-ZIAGYGMSSA-N 1 2 307.394 -0.162 20 30 DBEDLO CN(C[C@@H](O)CNc1cncc(C#N)n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001124485229 829755622 /nfs/dbraw/zinc/75/56/22/829755622.db2.gz ZDECUTKVAAPQON-NSHDSACASA-N 1 2 315.337 -0.455 20 30 DBEDLO CN(C[C@H](O)CNc1ccc(C#N)nn1)C(=O)Cc1c[nH+]c[nH]1 ZINC001124787224 829788330 /nfs/dbraw/zinc/78/83/30/829788330.db2.gz XGCXMPHRQQKANN-GFCCVEGCSA-N 1 2 315.337 -0.455 20 30 DBEDLO C#CCNC(=O)CC(=O)NCC[NH2+]Cc1nc(CCCC)no1 ZINC001125978626 829891213 /nfs/dbraw/zinc/89/12/13/829891213.db2.gz VTTGNYVFOXAOJF-UHFFFAOYSA-N 1 2 321.381 -0.243 20 30 DBEDLO C#CCNC(=O)CC(=O)NCC[NH2+][C@@H](C)c1nc(CC)no1 ZINC001125997507 829892541 /nfs/dbraw/zinc/89/25/41/829892541.db2.gz ACCUMODEIKDQNI-JTQLQIEISA-N 1 2 307.354 -0.462 20 30 DBEDLO COCC#CC[NH2+]Cc1nnc2n1CC[C@H](NC(C)=O)CC2 ZINC001127910708 830040284 /nfs/dbraw/zinc/04/02/84/830040284.db2.gz UFBLRHXQUAKVBI-CYBMUJFWSA-N 1 2 305.382 -0.142 20 30 DBEDLO C=CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)c1nnc[nH]1)CC2 ZINC001128054392 830059754 /nfs/dbraw/zinc/05/97/54/830059754.db2.gz PPMJDCPHBAPEAP-SNVBAGLBSA-N 1 2 316.369 -0.193 20 30 DBEDLO C=CCC[N@@H+]1CCn2ncc(CNC(=O)CNC(N)=O)c2C1 ZINC001128186387 830066299 /nfs/dbraw/zinc/06/62/99/830066299.db2.gz DQMHTLVBPGRHDR-UHFFFAOYSA-N 1 2 306.370 -0.441 20 30 DBEDLO C=CCC[N@H+]1CCn2ncc(CNC(=O)CNC(N)=O)c2C1 ZINC001128186387 830066304 /nfs/dbraw/zinc/06/63/04/830066304.db2.gz DQMHTLVBPGRHDR-UHFFFAOYSA-N 1 2 306.370 -0.441 20 30 DBEDLO C#CCN1CCn2ncc(CNC(=O)Cc3c[nH+]cn3C)c2C1 ZINC001128559680 830096600 /nfs/dbraw/zinc/09/66/00/830096600.db2.gz BCMYUZWBHPHESE-UHFFFAOYSA-N 1 2 312.377 -0.076 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)NCc1cnn2c1CN(CC#N)CC2 ZINC001128560756 830096929 /nfs/dbraw/zinc/09/69/29/830096929.db2.gz WUEMFGGUJOTMKH-UHFFFAOYSA-N 1 2 313.365 -0.185 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC)[C@@H](n2ccnn2)C1 ZINC001128602799 830102354 /nfs/dbraw/zinc/10/23/54/830102354.db2.gz XUIRWHPMWPHWIS-XQQFMLRXSA-N 1 2 320.397 -0.280 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC)[C@@H](n2ccnn2)C1 ZINC001128602799 830102356 /nfs/dbraw/zinc/10/23/56/830102356.db2.gz XUIRWHPMWPHWIS-XQQFMLRXSA-N 1 2 320.397 -0.280 20 30 DBEDLO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128607578 830103832 /nfs/dbraw/zinc/10/38/32/830103832.db2.gz JTSMGWYZCGZPPV-RTXFEEFZSA-N 1 2 306.370 -0.670 20 30 DBEDLO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001128607578 830103829 /nfs/dbraw/zinc/10/38/29/830103829.db2.gz JTSMGWYZCGZPPV-RTXFEEFZSA-N 1 2 306.370 -0.670 20 30 DBEDLO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]1n1ccnn1 ZINC001128821731 830134740 /nfs/dbraw/zinc/13/47/40/830134740.db2.gz ZFMMZHUKWZNTOQ-AGIUHOORSA-N 1 2 320.397 -0.150 20 30 DBEDLO C=CCCC(=O)N[C@@H]1C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]1n1ccnn1 ZINC001128821731 830134747 /nfs/dbraw/zinc/13/47/47/830134747.db2.gz ZFMMZHUKWZNTOQ-AGIUHOORSA-N 1 2 320.397 -0.150 20 30 DBEDLO CC#CC[N@@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](n2ccnn2)C1 ZINC001128989220 830148197 /nfs/dbraw/zinc/14/81/97/830148197.db2.gz MYXYKZGHZOWHII-KGLIPLIRSA-N 1 2 317.393 -0.052 20 30 DBEDLO CC#CC[N@H+]1C[C@@H](NC(=O)CC2(O)CCC2)[C@@H](n2ccnn2)C1 ZINC001128989220 830148200 /nfs/dbraw/zinc/14/82/00/830148200.db2.gz MYXYKZGHZOWHII-KGLIPLIRSA-N 1 2 317.393 -0.052 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)COCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129133936 830154856 /nfs/dbraw/zinc/15/48/56/830154856.db2.gz SSYFFKHPTOODBG-MNOVXSKESA-N 1 2 313.308 -0.466 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)COCC(F)F)[C@@H](n2ccnn2)C1 ZINC001129133936 830154862 /nfs/dbraw/zinc/15/48/62/830154862.db2.gz SSYFFKHPTOODBG-MNOVXSKESA-N 1 2 313.308 -0.466 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](OC)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129228601 830161689 /nfs/dbraw/zinc/16/16/89/830161689.db2.gz ZFULNZDAXLBBBZ-HZSPNIEDSA-N 1 2 305.382 -0.076 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](OC)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129228601 830161692 /nfs/dbraw/zinc/16/16/92/830161692.db2.gz ZFULNZDAXLBBBZ-HZSPNIEDSA-N 1 2 305.382 -0.076 20 30 DBEDLO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001129281187 830165924 /nfs/dbraw/zinc/16/59/24/830165924.db2.gz WAKKDDHWNVZHHA-MCIONIFRSA-N 1 2 318.381 -0.833 20 30 DBEDLO C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001129281187 830165927 /nfs/dbraw/zinc/16/59/27/830165927.db2.gz WAKKDDHWNVZHHA-MCIONIFRSA-N 1 2 318.381 -0.833 20 30 DBEDLO C=CC[N@@H+]1C[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129353417 830175816 /nfs/dbraw/zinc/17/58/16/830175816.db2.gz OQPCOCRKCACVKI-OLZOCXBDSA-N 1 2 318.381 -0.668 20 30 DBEDLO C=CC[N@H+]1C[C@@H](NC(=O)C(=O)NCC2CC2)[C@@H](n2ccnn2)C1 ZINC001129353417 830175820 /nfs/dbraw/zinc/17/58/20/830175820.db2.gz OQPCOCRKCACVKI-OLZOCXBDSA-N 1 2 318.381 -0.668 20 30 DBEDLO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC2)n[nH]1 ZINC001130175126 830273847 /nfs/dbraw/zinc/27/38/47/830273847.db2.gz DANWYPXSNDBHHW-RYUDHWBXSA-N 1 2 303.366 -0.074 20 30 DBEDLO C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)Cc2nnc[nH]2)C1 ZINC001130437993 830322003 /nfs/dbraw/zinc/32/20/03/830322003.db2.gz IPAYZWXTOSIJCP-LLVKDONJSA-N 1 2 313.365 -0.191 20 30 DBEDLO C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)Cc2nnc[nH]2)C1 ZINC001130437993 830322011 /nfs/dbraw/zinc/32/20/11/830322011.db2.gz IPAYZWXTOSIJCP-LLVKDONJSA-N 1 2 313.365 -0.191 20 30 DBEDLO Cc1ccc2[nH]nc(C(=O)NCC[NH2+]CC(=O)NCC#N)c2c1 ZINC001130786477 830383885 /nfs/dbraw/zinc/38/38/85/830383885.db2.gz JCILYRDKNLCJHR-UHFFFAOYSA-N 1 2 314.349 -0.170 20 30 DBEDLO C=CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H](C)NC(C)=O)CC1 ZINC001131325591 830454614 /nfs/dbraw/zinc/45/46/14/830454614.db2.gz LZKFCEDVMDWWRY-LBPRGKRZSA-N 1 2 310.398 -0.653 20 30 DBEDLO C=CC[N@H+]1CCNC(=O)CCN(C(=O)[C@H](C)NC(C)=O)CC1 ZINC001131325591 830454618 /nfs/dbraw/zinc/45/46/18/830454618.db2.gz LZKFCEDVMDWWRY-LBPRGKRZSA-N 1 2 310.398 -0.653 20 30 DBEDLO C#CCCCCC(=O)N1CCC(=O)NCC[N@@H+](CCO)CC1 ZINC001131351179 830459513 /nfs/dbraw/zinc/45/95/13/830459513.db2.gz BVBVYTQQLMBNTG-UHFFFAOYSA-N 1 2 309.410 -0.177 20 30 DBEDLO C#CCCCCC(=O)N1CCC(=O)NCC[N@H+](CCO)CC1 ZINC001131351179 830459516 /nfs/dbraw/zinc/45/95/16/830459516.db2.gz BVBVYTQQLMBNTG-UHFFFAOYSA-N 1 2 309.410 -0.177 20 30 DBEDLO C#CCC1(C(=O)N2CCC(=O)NCC[N@@H+](CCO)CC2)CCC1 ZINC001131367286 830462922 /nfs/dbraw/zinc/46/29/22/830462922.db2.gz POPQAFFHQSHLFW-UHFFFAOYSA-N 1 2 321.421 -0.177 20 30 DBEDLO C#CCC1(C(=O)N2CCC(=O)NCC[N@H+](CCO)CC2)CCC1 ZINC001131367286 830462923 /nfs/dbraw/zinc/46/29/23/830462923.db2.gz POPQAFFHQSHLFW-UHFFFAOYSA-N 1 2 321.421 -0.177 20 30 DBEDLO C[C@@H]1CN(C(=O)C2CC2)C[C@]2(CC[N@H+](CC(=O)NCC#N)C2)O1 ZINC001131612216 830489010 /nfs/dbraw/zinc/48/90/10/830489010.db2.gz CVXDKVGFZJHCIU-MLGOLLRUSA-N 1 2 320.393 -0.272 20 30 DBEDLO C[C@@H]1CN(C(=O)C2CC2)C[C@]2(CC[N@@H+](CC(=O)NCC#N)C2)O1 ZINC001131612216 830489012 /nfs/dbraw/zinc/48/90/12/830489012.db2.gz CVXDKVGFZJHCIU-MLGOLLRUSA-N 1 2 320.393 -0.272 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C2=COCCO2)CC[C@H]1C ZINC001131767542 830522514 /nfs/dbraw/zinc/52/25/14/830522514.db2.gz BOFZTGMSYDKGLH-CHWSQXEVSA-N 1 2 321.377 -0.407 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C2=COCCO2)CC[C@H]1C ZINC001131767542 830522525 /nfs/dbraw/zinc/52/25/25/830522525.db2.gz BOFZTGMSYDKGLH-CHWSQXEVSA-N 1 2 321.377 -0.407 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C2=COCCO2)CC[C@@H]1C ZINC001131767544 830523138 /nfs/dbraw/zinc/52/31/38/830523138.db2.gz BOFZTGMSYDKGLH-QWHCGFSZSA-N 1 2 321.377 -0.407 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C2=COCCO2)CC[C@@H]1C ZINC001131767544 830523144 /nfs/dbraw/zinc/52/31/44/830523144.db2.gz BOFZTGMSYDKGLH-QWHCGFSZSA-N 1 2 321.377 -0.407 20 30 DBEDLO Cc1ncc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C2)[nH]1 ZINC001131891587 830554770 /nfs/dbraw/zinc/55/47/70/830554770.db2.gz HZGFRSATUOECIF-PWSUYJOCSA-N 1 2 318.381 -0.059 20 30 DBEDLO Cc1ncc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=O)NCC#N)C2)[nH]1 ZINC001131891587 830554775 /nfs/dbraw/zinc/55/47/75/830554775.db2.gz HZGFRSATUOECIF-PWSUYJOCSA-N 1 2 318.381 -0.059 20 30 DBEDLO CCC(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131909475 830558596 /nfs/dbraw/zinc/55/85/96/830558596.db2.gz XZEKOTIOVKLWPO-NEPJUHHUSA-N 1 2 323.397 -0.879 20 30 DBEDLO CCC(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131909475 830558605 /nfs/dbraw/zinc/55/86/05/830558605.db2.gz XZEKOTIOVKLWPO-NEPJUHHUSA-N 1 2 323.397 -0.879 20 30 DBEDLO C[C@H]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C[N@@H+]1CC(=O)NCC#N ZINC001131931756 830560947 /nfs/dbraw/zinc/56/09/47/830560947.db2.gz XMFYEQFMPWBCPW-WCQYABFASA-N 1 2 318.381 -0.439 20 30 DBEDLO C[C@H]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C[N@H+]1CC(=O)NCC#N ZINC001131931756 830560952 /nfs/dbraw/zinc/56/09/52/830560952.db2.gz XMFYEQFMPWBCPW-WCQYABFASA-N 1 2 318.381 -0.439 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cn(C)cn2)CC[C@@H]1C ZINC001131955724 830563729 /nfs/dbraw/zinc/56/37/29/830563729.db2.gz PSZYWLNDSMPSCZ-STQMWFEESA-N 1 2 317.393 -0.248 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)cn2)CC[C@@H]1C ZINC001131955724 830563733 /nfs/dbraw/zinc/56/37/33/830563733.db2.gz PSZYWLNDSMPSCZ-STQMWFEESA-N 1 2 317.393 -0.248 20 30 DBEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001131946208 830563879 /nfs/dbraw/zinc/56/38/79/830563879.db2.gz HSENFPMOEXOHGR-VXGBXAGGSA-N 1 2 323.397 -0.220 20 30 DBEDLO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC001131946208 830563883 /nfs/dbraw/zinc/56/38/83/830563883.db2.gz HSENFPMOEXOHGR-VXGBXAGGSA-N 1 2 323.397 -0.220 20 30 DBEDLO CCNC(=O)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001131980574 830569685 /nfs/dbraw/zinc/56/96/85/830569685.db2.gz PDJOEMCYLVJEKC-NEPJUHHUSA-N 1 2 323.397 -0.879 20 30 DBEDLO CCNC(=O)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001131980574 830569691 /nfs/dbraw/zinc/56/96/91/830569691.db2.gz PDJOEMCYLVJEKC-NEPJUHHUSA-N 1 2 323.397 -0.879 20 30 DBEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2ncn(C)n2)CC[C@H]1C ZINC001132002974 830572466 /nfs/dbraw/zinc/57/24/66/830572466.db2.gz OYBOXFITTSNJOD-VXGBXAGGSA-N 1 2 320.397 -0.300 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2ncn(C)n2)CC[C@H]1C ZINC001132002974 830572472 /nfs/dbraw/zinc/57/24/72/830572472.db2.gz OYBOXFITTSNJOD-VXGBXAGGSA-N 1 2 320.397 -0.300 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2ncn(C)n2)CC[C@@H]1C ZINC001132003444 830572582 /nfs/dbraw/zinc/57/25/82/830572582.db2.gz VMGANUYZHISLIE-NWDGAFQWSA-N 1 2 318.381 -0.853 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2ncn(C)n2)CC[C@@H]1C ZINC001132003444 830572588 /nfs/dbraw/zinc/57/25/88/830572588.db2.gz VMGANUYZHISLIE-NWDGAFQWSA-N 1 2 318.381 -0.853 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cn(C)nn2)CC[C@@H]1C ZINC001131998703 830573528 /nfs/dbraw/zinc/57/35/28/830573528.db2.gz HYDCLKNQDOIIFL-RYUDHWBXSA-N 1 2 318.381 -0.853 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cn(C)nn2)CC[C@@H]1C ZINC001131998703 830573537 /nfs/dbraw/zinc/57/35/37/830573537.db2.gz HYDCLKNQDOIIFL-RYUDHWBXSA-N 1 2 318.381 -0.853 20 30 DBEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001132021940 830577002 /nfs/dbraw/zinc/57/70/02/830577002.db2.gz SCKXLFHCIROLKF-VXGBXAGGSA-N 1 2 318.381 -0.059 20 30 DBEDLO Cc1c[nH]nc1C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001132021940 830577009 /nfs/dbraw/zinc/57/70/09/830577009.db2.gz SCKXLFHCIROLKF-VXGBXAGGSA-N 1 2 318.381 -0.059 20 30 DBEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2cn(C)nn2)CC[C@@H]1C ZINC001132039078 830578640 /nfs/dbraw/zinc/57/86/40/830578640.db2.gz WRAMDEGAYGQSHI-NWDGAFQWSA-N 1 2 320.397 -0.300 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2cn(C)nn2)CC[C@@H]1C ZINC001132039078 830578649 /nfs/dbraw/zinc/57/86/49/830578649.db2.gz WRAMDEGAYGQSHI-NWDGAFQWSA-N 1 2 320.397 -0.300 20 30 DBEDLO C=CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2nnn(C)n2)CC[C@H]1C ZINC001132224586 830608443 /nfs/dbraw/zinc/60/84/43/830608443.db2.gz OQLQXFKEOVCMGT-GHMZBOCLSA-N 1 2 321.385 -0.905 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2nnn(C)n2)CC[C@H]1C ZINC001132224586 830608445 /nfs/dbraw/zinc/60/84/45/830608445.db2.gz OQLQXFKEOVCMGT-GHMZBOCLSA-N 1 2 321.385 -0.905 20 30 DBEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2nnn(C)n2)CC[C@H]1C ZINC001132224587 830608466 /nfs/dbraw/zinc/60/84/66/830608466.db2.gz OQLQXFKEOVCMGT-MNOVXSKESA-N 1 2 321.385 -0.905 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2nnn(C)n2)CC[C@H]1C ZINC001132224587 830608469 /nfs/dbraw/zinc/60/84/69/830608469.db2.gz OQLQXFKEOVCMGT-MNOVXSKESA-N 1 2 321.385 -0.905 20 30 DBEDLO C[C@H]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C[N@@H+]1CC(=O)NCC#N ZINC001132227927 830609636 /nfs/dbraw/zinc/60/96/36/830609636.db2.gz JJGMCDPDSSNJEX-GGAZOKNXSA-N 1 2 320.393 -0.512 20 30 DBEDLO C[C@H]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C[N@H+]1CC(=O)NCC#N ZINC001132227927 830609638 /nfs/dbraw/zinc/60/96/38/830609638.db2.gz JJGMCDPDSSNJEX-GGAZOKNXSA-N 1 2 320.393 -0.512 20 30 DBEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cnn(C)n2)CC[C@H]1C ZINC001132342513 830631306 /nfs/dbraw/zinc/63/13/06/830631306.db2.gz BADXPWWMQYJPFU-NEPJUHHUSA-N 1 2 320.397 -0.300 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cnn(C)n2)CC[C@H]1C ZINC001132342513 830631312 /nfs/dbraw/zinc/63/13/12/830631312.db2.gz BADXPWWMQYJPFU-NEPJUHHUSA-N 1 2 320.397 -0.300 20 30 DBEDLO C=CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2cnon2)CC[C@@H]1C ZINC001132368484 830640474 /nfs/dbraw/zinc/64/04/74/830640474.db2.gz NWZGWEKVKGDAJL-QWRGUYRKSA-N 1 2 307.354 -0.046 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cnon2)CC[C@@H]1C ZINC001132368484 830640481 /nfs/dbraw/zinc/64/04/81/830640481.db2.gz NWZGWEKVKGDAJL-QWRGUYRKSA-N 1 2 307.354 -0.046 20 30 DBEDLO C[C@@H]1CC[C@H](NC(=O)Cc2ncc[nH]2)C[N@@H+]1CC(=O)NCC#N ZINC001132380250 830644199 /nfs/dbraw/zinc/64/41/99/830644199.db2.gz HPWXSRWUDZVMHO-NEPJUHHUSA-N 1 2 318.381 -0.439 20 30 DBEDLO C[C@@H]1CC[C@H](NC(=O)Cc2ncc[nH]2)C[N@H+]1CC(=O)NCC#N ZINC001132380250 830644204 /nfs/dbraw/zinc/64/42/04/830644204.db2.gz HPWXSRWUDZVMHO-NEPJUHHUSA-N 1 2 318.381 -0.439 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)c2ccn(C)n2)CC[C@@H]1C ZINC001132482687 830659378 /nfs/dbraw/zinc/65/93/78/830659378.db2.gz YFRDOZTVGUZUFB-STQMWFEESA-N 1 2 317.393 -0.248 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2ccn(C)n2)CC[C@@H]1C ZINC001132482687 830659382 /nfs/dbraw/zinc/65/93/82/830659382.db2.gz YFRDOZTVGUZUFB-STQMWFEESA-N 1 2 317.393 -0.248 20 30 DBEDLO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)c2nonc2C)CC[C@@H]1C ZINC001132537711 830667261 /nfs/dbraw/zinc/66/72/61/830667261.db2.gz QDTRPYNZAIOMLN-CMPLNLGQSA-N 1 2 319.365 -0.290 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)c2nonc2C)CC[C@@H]1C ZINC001132537711 830667264 /nfs/dbraw/zinc/66/72/64/830667264.db2.gz QDTRPYNZAIOMLN-CMPLNLGQSA-N 1 2 319.365 -0.290 20 30 DBEDLO C[C@@H]1CC[C@H](NC(=O)CCCC(N)=O)C[N@@H+]1CC(=O)NCC#N ZINC001132536540 830667292 /nfs/dbraw/zinc/66/72/92/830667292.db2.gz CDBVKLRWCBZMCA-NEPJUHHUSA-N 1 2 323.397 -0.749 20 30 DBEDLO C[C@@H]1CC[C@H](NC(=O)CCCC(N)=O)C[N@H+]1CC(=O)NCC#N ZINC001132536540 830667299 /nfs/dbraw/zinc/66/72/99/830667299.db2.gz CDBVKLRWCBZMCA-NEPJUHHUSA-N 1 2 323.397 -0.749 20 30 DBEDLO C[C@@H]1CC[C@@H](NC(=O)CCCC(N)=O)C[N@@H+]1CC(=O)NCC#N ZINC001132536543 830667350 /nfs/dbraw/zinc/66/73/50/830667350.db2.gz CDBVKLRWCBZMCA-VXGBXAGGSA-N 1 2 323.397 -0.749 20 30 DBEDLO C[C@@H]1CC[C@@H](NC(=O)CCCC(N)=O)C[N@H+]1CC(=O)NCC#N ZINC001132536543 830667355 /nfs/dbraw/zinc/66/73/55/830667355.db2.gz CDBVKLRWCBZMCA-VXGBXAGGSA-N 1 2 323.397 -0.749 20 30 DBEDLO C#Cc1cncc(C(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)c1 ZINC001133593282 830791394 /nfs/dbraw/zinc/79/13/94/830791394.db2.gz XCJUYYTYUAWSME-UHFFFAOYSA-N 1 2 300.322 -0.996 20 30 DBEDLO COc1cccc(C[C@H]([NH3+])C(=O)N(O)C(=N)c2nonc2N)c1 ZINC001144933364 831261444 /nfs/dbraw/zinc/26/14/44/831261444.db2.gz OPTNPHHSVSTCHR-VIFPVBQESA-N 1 2 320.309 -0.226 20 30 DBEDLO COc1cccc(C[C@@H]([NH3+])C(=O)N(O)C(=N)c2nonc2N)c1 ZINC001144933360 831261686 /nfs/dbraw/zinc/26/16/86/831261686.db2.gz OPTNPHHSVSTCHR-SECBINFHSA-N 1 2 320.309 -0.226 20 30 DBEDLO Cc1nc2cccc(C(=O)NCC[NH2+]CC(=O)NCC#N)c2[nH]1 ZINC001146699278 831292800 /nfs/dbraw/zinc/29/28/00/831292800.db2.gz DBCGBDQPPCYESP-UHFFFAOYSA-N 1 2 314.349 -0.170 20 30 DBEDLO CC(C)(C)C(=O)C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001147246662 831351113 /nfs/dbraw/zinc/35/11/13/831351113.db2.gz YNVIUMFZLQBBQC-UHFFFAOYSA-N 1 2 320.393 -0.224 20 30 DBEDLO CC(C)(C)C(=O)C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001147246662 831351115 /nfs/dbraw/zinc/35/11/15/831351115.db2.gz YNVIUMFZLQBBQC-UHFFFAOYSA-N 1 2 320.393 -0.224 20 30 DBEDLO C#CCC[N@H+]1CCO[C@H]2CCN(C(=O)C3(C(=O)NC)CC3)C[C@@H]21 ZINC001177112016 833456037 /nfs/dbraw/zinc/45/60/37/833456037.db2.gz DIXXPFDYXKRBPJ-KBPBESRZSA-N 1 2 319.405 -0.162 20 30 DBEDLO C#CCC[N@@H+]1CCO[C@H]2CCN(C(=O)C3(C(=O)NC)CC3)C[C@@H]21 ZINC001177112016 833456040 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1 2 307.394 -0.305 20 30 DBEDLO CN(C[C@@H]1CCN1CC(=O)NCC#N)C(=O)Cn1cc[nH+]c1 ZINC001565835176 1024079361 /nfs/dbraw/zinc/07/93/61/1024079361.db2.gz IONNTXQBUXKMGC-LBPRGKRZSA-N 1 2 304.354 -0.944 20 30 DBEDLO Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](N(CC#N)CCO)C1 ZINC001566035484 1024113762 /nfs/dbraw/zinc/11/37/62/1024113762.db2.gz LOHBAJCTIRMVMO-CYBMUJFWSA-N 1 2 305.382 -0.229 20 30 DBEDLO C[C@@H](C#N)C(=O)N(C)CCOCC[N@H+](C)Cc1cn(C)nn1 ZINC001566056883 1024118926 /nfs/dbraw/zinc/11/89/26/1024118926.db2.gz DPBAWEZPQIIEBC-LBPRGKRZSA-N 1 2 308.386 -0.118 20 30 DBEDLO C[C@@H](C#N)C(=O)N(C)CCOCC[N@@H+](C)Cc1cn(C)nn1 ZINC001566056883 1024118951 /nfs/dbraw/zinc/11/89/51/1024118951.db2.gz DPBAWEZPQIIEBC-LBPRGKRZSA-N 1 2 308.386 -0.118 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001566632480 1024294401 /nfs/dbraw/zinc/29/44/01/1024294401.db2.gz BXSDQIDNZCSHDM-RYUDHWBXSA-N 1 2 308.382 -0.852 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC001566632480 1024294426 /nfs/dbraw/zinc/29/44/26/1024294426.db2.gz BXSDQIDNZCSHDM-RYUDHWBXSA-N 1 2 308.382 -0.852 20 30 DBEDLO C#CCN1CC[NH+](CCNC(=O)[C@@H]2CCN(C)C(=O)C2)CC1 ZINC001566649779 1024312716 /nfs/dbraw/zinc/31/27/16/1024312716.db2.gz ILBYEHVPMTUZTR-CQSZACIVSA-N 1 2 306.410 -0.778 20 30 DBEDLO CC#CCN1CC[NH+](CCNC(=O)CC2OCCCO2)CC1 ZINC001566648483 1024313550 /nfs/dbraw/zinc/31/35/50/1024313550.db2.gz MOSFPFMBVFMJBC-UHFFFAOYSA-N 1 2 309.410 -0.103 20 30 DBEDLO C#CC[NH+]1CCN(CCNC(=O)c2c(C)nc[nH]c2=O)CC1 ZINC001566651386 1024314319 /nfs/dbraw/zinc/31/43/19/1024314319.db2.gz QHGAMVPTJYRRFJ-UHFFFAOYSA-N 1 2 303.366 -0.529 20 30 DBEDLO C#CCN1CC[NH+](CCNC(=O)c2c(C)nc[nH]c2=O)CC1 ZINC001566651386 1024314335 /nfs/dbraw/zinc/31/43/35/1024314335.db2.gz QHGAMVPTJYRRFJ-UHFFFAOYSA-N 1 2 303.366 -0.529 20 30 DBEDLO CC(=O)N1CCC[C@@H](C(=O)NCC[NH+]2CCN(CC#N)CC2)C1 ZINC001566650622 1024314453 /nfs/dbraw/zinc/31/44/53/1024314453.db2.gz ORLMXXJJEUXNML-OAHLLOKOSA-N 1 2 321.425 -0.498 20 30 DBEDLO CC#CCN1CC[NH+](CCNC(=O)CCn2ccnn2)CC1 ZINC001566648877 1024314555 /nfs/dbraw/zinc/31/45/55/1024314555.db2.gz YRNNKGDNYOFIKN-UHFFFAOYSA-N 1 2 304.398 -0.575 20 30 DBEDLO COCC#CC[NH+]1CCN(CCNC(=O)c2[nH]nnc2C)CC1 ZINC001566650296 1024316216 /nfs/dbraw/zinc/31/62/16/1024316216.db2.gz BACAKUZNAGPTTA-UHFFFAOYSA-N 1 2 320.397 -0.890 20 30 DBEDLO CCn1cc(CC(=O)NCC[NH+]2CCN(CC#N)CC2)cn1 ZINC001566653253 1024317611 /nfs/dbraw/zinc/31/76/11/1024317611.db2.gz IMSMTFDILPJFFF-UHFFFAOYSA-N 1 2 304.398 -0.297 20 30 DBEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CCNC(=O)C(C)(C)C)CC1 ZINC001566653719 1024317652 /nfs/dbraw/zinc/31/76/52/1024317652.db2.gz XDZMNHSVIYVCMP-AWEZNQCLSA-N 1 2 322.453 -0.096 20 30 DBEDLO C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCOCC(F)F)C1 ZINC001566661835 1024325602 /nfs/dbraw/zinc/32/56/02/1024325602.db2.gz CKPDTCFWZGROAJ-NSHDSACASA-N 1 2 317.336 -0.402 20 30 DBEDLO C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCOCC(F)F)C1 ZINC001566661835 1024325616 /nfs/dbraw/zinc/32/56/16/1024325616.db2.gz CKPDTCFWZGROAJ-NSHDSACASA-N 1 2 317.336 -0.402 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)c2nn(C)cc2C)C1 ZINC001566663695 1024326914 /nfs/dbraw/zinc/32/69/14/1024326914.db2.gz SXYHADSHZGZLOM-CHWSQXEVSA-N 1 2 317.393 -0.329 20 30 DBEDLO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2nn(C)cc2C)C1 ZINC001566663695 1024326929 /nfs/dbraw/zinc/32/69/29/1024326929.db2.gz SXYHADSHZGZLOM-CHWSQXEVSA-N 1 2 317.393 -0.329 20 30 DBEDLO Cc1ccncc1CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001566664872 1024333270 /nfs/dbraw/zinc/33/32/70/1024333270.db2.gz COAUORJVCCVNMO-AWEZNQCLSA-N 1 2 315.377 -0.237 20 30 DBEDLO Cc1ccncc1CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001566664872 1024333290 /nfs/dbraw/zinc/33/32/90/1024333290.db2.gz COAUORJVCCVNMO-AWEZNQCLSA-N 1 2 315.377 -0.237 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)c2cn(CC)nn2)C1 ZINC001566676564 1024339242 /nfs/dbraw/zinc/33/92/42/1024339242.db2.gz LDCQFWQXRJDCTE-RYUDHWBXSA-N 1 2 320.397 -0.207 20 30 DBEDLO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cn(CC)nn2)C1 ZINC001566676564 1024339261 /nfs/dbraw/zinc/33/92/61/1024339261.db2.gz LDCQFWQXRJDCTE-RYUDHWBXSA-N 1 2 320.397 -0.207 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001566919941 1024414710 /nfs/dbraw/zinc/41/47/10/1024414710.db2.gz KICQKDZSCAKHLS-LLVKDONJSA-N 1 2 304.354 -0.366 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001566919941 1024414739 /nfs/dbraw/zinc/41/47/39/1024414739.db2.gz KICQKDZSCAKHLS-LLVKDONJSA-N 1 2 304.354 -0.366 20 30 DBEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001566921304 1024415145 /nfs/dbraw/zinc/41/51/45/1024415145.db2.gz LAEIRQCPCBEGGT-KGLIPLIRSA-N 1 2 320.393 -0.365 20 30 DBEDLO C#CCO[C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001566921304 1024415177 /nfs/dbraw/zinc/41/51/77/1024415177.db2.gz LAEIRQCPCBEGGT-KGLIPLIRSA-N 1 2 320.393 -0.365 20 30 DBEDLO C=CCOCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC001566918365 1024421214 /nfs/dbraw/zinc/42/12/14/1024421214.db2.gz PIJACEMGAKXOMX-CYBMUJFWSA-N 1 2 308.382 -0.201 20 30 DBEDLO C=CCOCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC001566918365 1024421239 /nfs/dbraw/zinc/42/12/39/1024421239.db2.gz PIJACEMGAKXOMX-CYBMUJFWSA-N 1 2 308.382 -0.201 20 30 DBEDLO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001567054946 1024490532 /nfs/dbraw/zinc/49/05/32/1024490532.db2.gz ZYJNFVFNKLCKMB-MXWKQRLJSA-N 1 2 309.370 -0.706 20 30 DBEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)c1ccnc2[nH]cnc21 ZINC001567284906 1024605067 /nfs/dbraw/zinc/60/50/67/1024605067.db2.gz ZXFQEMUTANEOEF-UHFFFAOYSA-N 1 2 316.365 -0.078 20 30 DBEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)c1ccnc2[nH]cnc21 ZINC001567284906 1024605076 /nfs/dbraw/zinc/60/50/76/1024605076.db2.gz ZXFQEMUTANEOEF-UHFFFAOYSA-N 1 2 316.365 -0.078 20 30 DBEDLO C=CCNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001567305100 1024622912 /nfs/dbraw/zinc/62/29/12/1024622912.db2.gz LRFMNCQOJNPAQL-UONOGXRCSA-N 1 2 319.409 -0.126 20 30 DBEDLO C=CCNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001567305100 1024622917 /nfs/dbraw/zinc/62/29/17/1024622917.db2.gz LRFMNCQOJNPAQL-UONOGXRCSA-N 1 2 319.409 -0.126 20 30 DBEDLO C=C(C)CN(CC)C(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001567314237 1024624590 /nfs/dbraw/zinc/62/45/90/1024624590.db2.gz MFNKOLSJSMEXIV-ZDUSSCGKSA-N 1 2 324.425 -0.262 20 30 DBEDLO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCC(=O)N1 ZINC001567314237 1024624601 /nfs/dbraw/zinc/62/46/01/1024624601.db2.gz MFNKOLSJSMEXIV-ZDUSSCGKSA-N 1 2 324.425 -0.262 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCO[C@H](CC)C1 ZINC001567311037 1024624685 /nfs/dbraw/zinc/62/46/85/1024624685.db2.gz COAAAUPOKDNDMT-UONOGXRCSA-N 1 2 309.410 -0.011 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCO[C@H](CC)C1 ZINC001567311037 1024624694 /nfs/dbraw/zinc/62/46/94/1024624694.db2.gz COAAAUPOKDNDMT-UONOGXRCSA-N 1 2 309.410 -0.011 20 30 DBEDLO C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1ncccc1OC ZINC001567315915 1024630203 /nfs/dbraw/zinc/63/02/03/1024630203.db2.gz FLHGMQYRJNURDY-UHFFFAOYSA-N 1 2 304.350 -0.499 20 30 DBEDLO C#CCNC(=O)C[N@H+](C)CCNC(=O)c1ncccc1OC ZINC001567315915 1024630220 /nfs/dbraw/zinc/63/02/20/1024630220.db2.gz FLHGMQYRJNURDY-UHFFFAOYSA-N 1 2 304.350 -0.499 20 30 DBEDLO CC[N@H+](CCNC(=O)CSCC#N)Cc1nc(=O)n(C)[nH]1 ZINC001567327871 1024632741 /nfs/dbraw/zinc/63/27/41/1024632741.db2.gz YKGLJGPCYOIZKM-UHFFFAOYSA-N 1 2 312.399 -0.697 20 30 DBEDLO CC[N@@H+](CCNC(=O)CSCC#N)Cc1nc(=O)n(C)[nH]1 ZINC001567327871 1024632750 /nfs/dbraw/zinc/63/27/50/1024632750.db2.gz YKGLJGPCYOIZKM-UHFFFAOYSA-N 1 2 312.399 -0.697 20 30 DBEDLO CC[N@@H+](CC#CCOC)CCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001567353668 1024640913 /nfs/dbraw/zinc/64/09/13/1024640913.db2.gz AXNXBOBJLDZIFT-CYBMUJFWSA-N 1 2 318.439 -0.245 20 30 DBEDLO CC[N@H+](CC#CCOC)CCNC(=O)[C@H](C)CS(C)(=O)=O ZINC001567353668 1024640933 /nfs/dbraw/zinc/64/09/33/1024640933.db2.gz AXNXBOBJLDZIFT-CYBMUJFWSA-N 1 2 318.439 -0.245 20 30 DBEDLO N#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1=CCOCC1 ZINC001567362378 1024646850 /nfs/dbraw/zinc/64/68/50/1024646850.db2.gz ABVRWIDAKUUOOW-ZDUSSCGKSA-N 1 2 306.366 -0.447 20 30 DBEDLO N#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1=CCOCC1 ZINC001567362378 1024646854 /nfs/dbraw/zinc/64/68/54/1024646854.db2.gz ABVRWIDAKUUOOW-ZDUSSCGKSA-N 1 2 306.366 -0.447 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1CC1 ZINC001567383454 1024657705 /nfs/dbraw/zinc/65/77/05/1024657705.db2.gz RNCZQOOJEKLAHE-ZDUSSCGKSA-N 1 2 322.409 -0.605 20 30 DBEDLO C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1CC1 ZINC001567383454 1024657726 /nfs/dbraw/zinc/65/77/26/1024657726.db2.gz RNCZQOOJEKLAHE-ZDUSSCGKSA-N 1 2 322.409 -0.605 20 30 DBEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](Cc2ncnn2C)C1 ZINC001567400367 1024676109 /nfs/dbraw/zinc/67/61/09/1024676109.db2.gz KVFWLDHLZPLMJZ-CHWSQXEVSA-N 1 2 305.382 -0.209 20 30 DBEDLO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](Cc2ncnn2C)C1 ZINC001567400367 1024676110 /nfs/dbraw/zinc/67/61/10/1024676110.db2.gz KVFWLDHLZPLMJZ-CHWSQXEVSA-N 1 2 305.382 -0.209 20 30 DBEDLO CCCC(=O)N(C)CC[NH+]1CCN(CC(=O)NCC#N)CC1 ZINC001567715833 1024813501 /nfs/dbraw/zinc/81/35/01/1024813501.db2.gz SQEYZLZMCFKCCO-UHFFFAOYSA-N 1 2 309.414 -0.498 20 30 DBEDLO C#CCNC(=O)[C@H](C)N1CC[NH+](CCN(C)C(=O)C(C)C)CC1 ZINC001567718113 1024813755 /nfs/dbraw/zinc/81/37/55/1024813755.db2.gz VOVZRTNJVHCNED-HNNXBMFYSA-N 1 2 322.453 -0.144 20 30 DBEDLO C#CCNC(=O)[C@H](C)[NH+]1CCN(CCN(C)C(=O)C(C)C)CC1 ZINC001567718113 1024813756 /nfs/dbraw/zinc/81/37/56/1024813756.db2.gz VOVZRTNJVHCNED-HNNXBMFYSA-N 1 2 322.453 -0.144 20 30 DBEDLO C=CCN1CC[NH+](CCN(C)C(=O)[C@@H]2CCCNC2=O)CC1 ZINC001567718149 1024814436 /nfs/dbraw/zinc/81/44/36/1024814436.db2.gz SOTIIDFFOXSBAG-CQSZACIVSA-N 1 2 308.426 -0.225 20 30 DBEDLO C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2COC(=O)C2)C1 ZINC001567761595 1024817311 /nfs/dbraw/zinc/81/73/11/1024817311.db2.gz DIBFFUUBVLQFSY-QWHCGFSZSA-N 1 2 323.393 -0.178 20 30 DBEDLO 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